smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#C/C(=C\c1ccccc1OC(F)(F)F)C(=O)Nc1nc2ccccc2nc1Cl	22747693	DYSUGSZODGNHPK-FMIVXFBMSA-N	418.762	4.727	50	20	HJGD	
C=C(C)COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1	727330611	OCOKFZPCRIUJRX-FAUWUSJQSA-N	419.525	4.785	50	20	HJGD	
CN(Cc1cccc2ccccc12)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727846440	RAZUISPYEZKWSJ-UHFFFAOYSA-N	402.281	4.633	50	20	HJGD	
Cc1c([C@H](NC(=O)NNC(=O)c2cccc3ncccc23)C(C)C)oc2ccccc12	732705343	YQUCQVWOOLHCCL-OAQYLSRUSA-N	416.481	4.631	50	20	HJGD	
O=C(NN[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(Br)s1	732917657	AXZQUZBDNSDVTH-INIZCTEOSA-N	401.329	4.729	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c1	732926769	UOYGXANSGJFVJR-GHXNOFRVSA-N	407.442	4.596	50	20	HJGD	
Cc1c(C(=O)NNc2nccc3sccc23)cnn1-c1cccc(C(F)(F)F)c1	734250077	OZLPODNIAPBJTA-UHFFFAOYSA-N	417.416	4.566	50	20	HJGD	
N#Cc1ccc(OCc2cccc(C(=O)NNc3ccccc3C(F)(F)F)c2)cc1	734312852	RZEVVMZMCCFQJE-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)c1C	734783899	WPKMFYWTBYKTSA-HLILLCKBSA-N	418.585	4.764	50	20	HJGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccc(-c2ccncc2)cc1	746052420	CUMYXRRUVIOELT-QGZVFWFLSA-N	414.958	4.960	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1O	747033136	DLQPHPOIKOQHRZ-RIYZIHGNSA-N	403.265	4.982	50	20	HJGD	
Cc1nn(-c2ccccc2)c2nc(C(=O)NNc3ccc(C(F)(F)F)cc3)ccc12	747605180	SGVSXLYGPOHWLA-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)cc1	748117300	WAHYWGCMEGOFBY-UHFFFAOYSA-N	410.260	4.853	50	20	HJGD	
O=C(Cc1csc(-c2cccc(F)c2)n1)NNc1ccc(Br)cc1F	748173648	HOOKKCNSDPRRFV-UHFFFAOYSA-N	424.270	4.537	50	20	HJGD	
Cc1noc(C)c1[C@H](C)CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	752293634	LNYQMRATIQDUDP-LPKQHDGYSA-N	420.488	4.665	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1NC(=O)NC(C)(C)C	752810875	OIKBZSVCEHKNRV-UHFFFAOYSA-N	409.317	4.979	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cn(-c4ccc(F)cc4Cl)nn3)c[nH]c2c1	755588598	DSFWGFZKPUNVAW-NTUHNPAUSA-N	405.820	4.639	50	20	HJGD	
COc1ccc(C(=O)Nc2ccc(C(=O)NNc3ccc(Cl)c(F)c3)s2)cc1	758292864	URBYGXUWOWVHNC-UHFFFAOYSA-N	419.865	4.558	50	20	HJGD	
COCc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)sc2cccc(F)c12	761600010	QMYYEYIFVQPUJR-UHFFFAOYSA-N	414.380	4.842	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1sccc1Br	764897424	ZEABFOKHQLKYAN-GFCCVEGCSA-N	403.301	4.581	50	20	HJGD	
CC(=O)c1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)nc1C	765344874	CIQSTTTUSZBSJV-BKUYFWCQSA-N	418.541	4.740	50	20	HJGD	
Cc1nc(C)c(C(=O)COC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)o1	767268721	VKXXDPBLYFAKJZ-YBFXNURJSA-N	409.486	4.548	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)c1nc2cc(F)ccc2s1	774136147	APKBRKIOBQLJFX-XYOKQWHBSA-N	406.891	4.947	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ncccc2-c2ccccc2)c1C	780027571	JKDMFDBHXSYTEO-GFHXCNCHSA-N	414.509	4.920	50	20	HJGD	
N#C/C(=C\c1cnc2ccc(Br)cn12)C(=O)c1cccc(C(F)(F)F)c1	782369751	NUVYSUNPMMKVKD-KPKJPENVSA-N	420.188	4.905	50	20	HJGD	
COc1cc(NNC(=O)c2cccnc2SCc2ccc(F)cc2)ccc1Cl	790188706	JSLWSUYAOJKDAI-UHFFFAOYSA-N	417.893	4.932	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c(C)n1C[C@@H]1CCCO1	798008446	KBGXWLWXXFJBQA-HGZZQLBLSA-N	423.944	4.517	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)c(Cl)cc2F)c1C	798579973	IMERNDNOSUGSII-AUWJEWJLSA-N	410.276	4.743	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(OCC(F)(F)F)c(F)c1	800569040	HZSFGMVFCGSTNY-UHFFFAOYSA-N	400.357	4.525	50	20	HJGD	
O=C(NNC(=O)c1cccc(Oc2nccs2)c1)Nc1ccc(Cl)cc1Cl	802086693	YHIAXWXIUDZFRP-UHFFFAOYSA-N	423.281	4.709	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(Cl)c(F)c1	804211481	SLPLVYKHQHFJPX-UHFFFAOYSA-N	410.758	4.712	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	804766880	QZTBXVHDHDBEDA-UHFFFAOYSA-N	418.837	4.690	50	20	HJGD	
CN1/C(=C(\C#N)C(=O)CSc2nc(-c3ccc(F)cc3)cs2)Nc2ccccc21	914529129	OYGHYZCNKWNDRA-HMMYKYKNSA-N	422.510	4.907	50	20	HJGD	
O=C(NN=Cc1cc(F)ccc1F)c1cn(-c2ccccc2)nc1-c1ccccc1	915939334	PKDIURUHUMURHT-UHFFFAOYSA-N	402.404	4.581	50	20	HJGD	
CC[C@H](C)c1ccc([C@H](NC(=O)NNC(=O)c2ccccc2O)c2cccs2)cc1	916205706	KWNSXYHYAGLAFZ-BTYIYWSLSA-N	423.538	4.701	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1C	916389737	ORFWKERNRYPXDG-JSRODLPJSA-N	419.447	4.639	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H](c1ccccc1)c1cccc(Cl)c1	916650998	BMFPVHDNIGVQHG-IBGZPJMESA-N	414.292	4.727	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cccc4c3OCCO4)n2)c1	917517719	RQJNWZDLUIISTF-BOPFTXTBSA-N	417.490	4.744	50	20	HJGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1C	917537217	AULJZMSJPZKPIO-GOSISDBHSA-N	424.932	4.677	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccn(-c3ccccc3)n2)c1C	917767039	NZBQTMTVLRPHRI-CJLVFECKSA-N	415.541	4.656	50	20	HJGD	
CCOCc1ccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1	1116567559	GNFKUZZMJWEGGJ-UHFFFAOYSA-N	403.891	4.558	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)[nH]n1	1815321241	RATCVNXJNZJNCZ-MAUKXSAKSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1	1824618082	OEUYDVGRTWEARW-VQTJNVASSA-N	409.014	4.594	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2c(F)cccc2Cl)c(C)n1C[C@H]1CCCO1	6388671	PJUONSNRRBZIHG-WAFWZSCLSA-N	416.880	4.727	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2c(-c3ccccc3Cl)noc2C)c(C)c1	14807364	VIRYASNMIBIPQL-UHFFFAOYSA-N	414.918	4.552	50	20	HJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3OCC(=O)N(C)C)n2)cc1	63454295	WSSGXDIQQNDHSB-UNOMPAQXSA-N	403.507	4.650	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(=O)oc3cc(CC)ccc23)c1C	211232485	JNDQAJZDBKOKNF-NDENLUEZSA-N	418.493	4.834	50	20	HJGD	
COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)CCCC[C@H]2CCSS2)C1	247921458	XTFKLMPXNPUBJN-CVEARBPZSA-N	415.024	4.758	50	20	HJGD	
CN(Cc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727852633	XVYGNZYZBMXANE-UHFFFAOYSA-N	421.111	4.787	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(-c2nc3ccccc3s2)s1	728080656	KDDBUMLVRHQSEH-UHFFFAOYSA-N	419.491	4.832	50	20	HJGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	729623458	JRBGPFOOGKKLJN-AUUYWEPGSA-N	417.962	4.765	50	20	HJGD	
CSCc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1	731589091	SUZDOYPDRLYRDQ-FNUHDPNESA-N	409.555	4.693	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1cccc(C(F)(F)F)n1	740133119	XIBQHPHRFDTMCA-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc(C(F)(F)F)n3)c3ccccc3n2)o1	740141890	WCBLZGAYSSAYQW-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
COc1ccccc1-c1ccc(C(C)=NNC(=O)c2nnc(-c3ccccc3)o2)cc1	741461912	TVVFYXZHVQSEJH-UHFFFAOYSA-N	412.449	4.566	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1C	742013733	CVPNNKRDNAZRDZ-XTVKVDEJSA-N	419.569	4.877	50	20	HJGD	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NNC(=O)c1cccc2ccccc12	743628540	UBFWAPJSICRGNC-UHFFFAOYSA-N	402.281	4.633	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(-c3ccc(Cl)s3)on2)cc1C(F)(F)F	746888674	DABVNZUABFBGGT-UHFFFAOYSA-N	412.780	4.704	50	20	HJGD	
CCCCc1ccc([C@@H](NC(=O)NNC(=O)c2cccc3cccnc23)C(C)C)cc1	747537876	HUYOAYOGDNLDIZ-QFIPXVFZSA-N	418.541	4.919	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1	748414470	NLCBEIGERQXOBQ-UHFFFAOYSA-N	404.495	4.742	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)c2ccccc2C)c1C	750774881	JPCLOHFHLMESBX-MEGCXXLRSA-N	407.558	4.622	50	20	HJGD	
Cc1ccc(C(=O)NN=Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)o1	752176480	VQCVUGQFVPUDOI-UHFFFAOYSA-N	410.783	4.518	50	20	HJGD	
CC(C)Sc1c(Cl)cccc1NC(=O)NNC(=O)c1ccc2ccccc2n1	756733286	OBOCHHIWGKNCGJ-UHFFFAOYSA-N	414.918	4.855	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1	756887929	XGGBZEPTQWETJM-NRFANRHFSA-N	422.529	4.552	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2cc(Br)cc3cccnc23)cc1	759860656	JZMMEGDLVZXIHR-CXUHLZMHSA-N	423.266	4.656	50	20	HJGD	
CCc1ccc(C(=O)Nc2c(CC)cc(SC#N)cc2CC)cc1S(C)(=O)=O	766320306	GFJLPOWLAUCADF-UHFFFAOYSA-N	416.568	4.603	50	20	HJGD	
CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)NNc1ccccc1Cl	770062229	HLRQRKSJVGZQEG-UHFFFAOYSA-N	416.909	4.513	50	20	HJGD	
Cn1c(COC(=O)CCCC[C@H]2CCSS2)nnc1-c1ccc(Cl)cc1	770322100	BMZHLDWLKUXVKL-HNNXBMFYSA-N	411.980	4.893	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3cnccc3C)c2C)cc1	771385756	YZWBMBUZUYBVBO-LZAZYHHXSA-N	414.509	4.591	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)NNc3cnc4ccccc4n3)ccc2C)c1	775647737	XJFGQWJLYVZDAZ-UHFFFAOYSA-N	400.442	4.583	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1	780501442	KIUNPRMVHGQAME-UHFFFAOYSA-N	400.910	4.678	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)c1ccccc1	782229191	LPOPJZIWAFNNPB-GOSISDBHSA-N	400.404	4.739	50	20	HJGD	
CC1(C)CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC(C)(C)O1	786010214	RETSBLXIYIZPRH-UHFFFAOYSA-N	416.412	4.699	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2csc(-c3cccc(OC)c3)n2)cc1	787153479	DXHFYXUVMCCECP-GZQZNAIASA-N	419.506	4.612	50	20	HJGD	
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)NNc1ncc(Cl)cc1Cl	787462095	NFBLLIJBJINOKY-VIFPVBQESA-N	419.696	4.604	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cccc(Cl)c3C)cc2)cc1	787866800	YGHAOIGCIPEYJH-UHFFFAOYSA-N	414.914	4.547	50	20	HJGD	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)c(Br)c1	789130895	SGPUYQYYKHZVFF-SXGWCWSVSA-N	424.254	4.658	50	20	HJGD	
C[C@]12CCN(CCP(=O)(c3ccccc3)c3ccccc3)C[C@H]1C2(Cl)Cl	792914778	XRDLZTZNLXUZMT-UXHICEINSA-N	408.309	4.516	50	20	HJGD	
CC(C)O[C@@H](C=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccccc1	792926937	YXWFCOMXRPXQDE-NSHDSACASA-N	415.708	4.506	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2sc(N3CCCC3)nc2s1	792942690	MGKLACVRABNFTC-UHFFFAOYSA-N	412.462	4.734	50	20	HJGD	
CSCC[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N(C)C	808844008	VWBVKUDPDVPUKT-LBPRGKRZSA-N	421.457	4.675	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1	812768738	DQUHXTMZXBUSDM-UHFFFAOYSA-N	420.479	4.892	50	20	HJGD	
C[C@@]12CCN(C(=O)C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)C[C@H]1C2(F)F	815659201	WLWSJTBWIJWRFK-BXUZGUMPSA-N	420.350	4.786	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1C	914500763	YZOCZJJFEZGPQD-PIYNUSRVSA-N	415.484	4.717	50	20	HJGD	
CCC(=O)Nc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)c1	916058466	QDIKJXRTEIXLPD-BCUAHEQISA-N	422.529	4.515	50	20	HJGD	
CCCC(=O)Nc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	916070502	NLBMRVBGADTBJY-LPYMAVHISA-N	420.557	4.723	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cc(Br)c4c(c3)OCCO4)n2)cc1	917519014	HFVZZYKCJIRSJH-OVCLIPMQSA-N	424.254	4.643	50	20	HJGD	
O=C(CSc1ccc(Br)cc1)NNc1ccccc1C(F)(F)F	1322463541	SQIDNMQKGRFWBH-UHFFFAOYSA-N	405.239	4.703	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCCN1Cc1cccnc1	1327476222	WNVCPRJKIWPJPZ-INIZCTEOSA-N	413.736	4.540	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccnc3cc(Cl)ccc23)c1	725899771	IUXGEJBHFHDFST-UHFFFAOYSA-N	412.877	4.992	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	728749802	JYVDIFXCCXOHHK-UHFFFAOYSA-N	408.329	4.849	50	20	HJGD	
Cc1ccccc1N(C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)C(C)C	729832201	SKCHOHAWBLGWRY-XUKJQLKWSA-N	405.542	4.941	50	20	HJGD	
C[C@H](Sc1ccc(Br)cc1)C(=O)NNc1nccc2sccc12	734247139	VSNOYKZXDRQPNO-JTQLQIEISA-N	408.346	4.683	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NNc3cc(F)c(F)cc3F)c12	734551989	HQYRDRFFJHXNIN-UHFFFAOYSA-N	419.451	4.792	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(-c2ccccc2)cc1	743825935	LLDYPONWFJQTQN-SJORKVTESA-N	405.420	4.875	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccnc3C)c2C)cc1	744775416	XRQKTVSBAHAWEP-ZHZULCJRSA-N	400.482	4.742	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1C	746376780	MUVKFQIXEVIZTI-WOJGMQOQSA-N	420.538	4.784	50	20	HJGD	
O=C(NNC(=O)c1cccc2cccnc12)Nc1ccc(-c2nc3ccccc3o2)cc1	747459491	WTZZCDDKPGUVON-UHFFFAOYSA-N	423.432	4.510	50	20	HJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3cccc(C)c3C)c2c1	752518866	KFUZVOMMAYDXCJ-UHFFFAOYSA-N	418.566	4.977	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1C	755620269	JCAGSDLYIBQWCH-NDENLUEZSA-N	415.497	4.988	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1ccccc1SC1CCCC1	755719154	JGAGZOWLKHZGOP-UHFFFAOYSA-N	406.511	4.736	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C)n1C1CCCCC1	759472682	LPLXRWIQDGMXKD-CNSGPVJWSA-N	419.573	4.823	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c1	760141803	YULMGYFKTIMRBG-UHFFFAOYSA-N	411.502	4.914	50	20	HJGD	
O=C(CNc1cccc(S(F)(F)(F)(F)F)c1)NC[C@H]1COc2ccccc2O1	762531248	QSCRQJQHWGPQFX-ZDUSSCGKSA-N	424.391	4.712	50	20	HJGD	
COc1ccccc1SCC(=O)NNC(=O)Nc1ccc(-c2ccccc2)c(C)c1	762938038	BFFWQQBGIFDRKX-UHFFFAOYSA-N	421.522	4.616	50	20	HJGD	
Cc1cnc(C2CCN(CCP(=O)(c3ccccc3)c3ccccc3)CC2)s1	763970094	GREDQOHBHHNWOF-UHFFFAOYSA-N	410.523	4.645	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@@H](c1cccnc1)C1CC1	773441993	IEANMOQNCGSJKC-OAHLLOKOSA-N	421.391	4.945	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1cccc(CCC(F)(F)F)c1	773699733	ZCNRUTZDHFICSS-UHFFFAOYSA-N	420.218	4.570	50	20	HJGD	
O=C1C/C(=C\c2ccc(OCCBr)c(Cl)c2)C(=O)c2ccccc2N1	774147188	YLSKZGVRBQVCQT-UKTHLTGXSA-N	420.690	4.722	50	20	HJGD	
COc1cc(/C(C#N)=C/c2cc(Cl)ccc2OC[C@@H]2CCCO2)ccc1[N+](=O)[O-]	774563218	XXAIMRGUEJVAID-WBNHJWIASA-N	414.845	4.879	50	20	HJGD	
O=C(NCCc1ccc(CO)cc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	775975901	AANUCBGOTOCVPM-MRXNPFEDSA-N	418.868	4.762	50	20	HJGD	
COc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc(OC)c1C(C)C	781350579	HRZUZQPYLCYAGZ-UHFFFAOYSA-N	400.372	4.742	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccc(SCc2ccccc2)cc1	788566970	PJAGOHAJLVXHGS-UHFFFAOYSA-N	419.535	4.649	50	20	HJGD	
Cc1ccc(Cn2cc(C(=O)NNc3ncccc3C)c(-c3ccc(C)cc3)n2)cc1	791214780	MCJWOWWKEISARH-UHFFFAOYSA-N	411.509	4.676	50	20	HJGD	
C=C(CBr)COC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1	795947062	ORIBNUAVZLPELK-UHFFFAOYSA-N	416.287	4.860	50	20	HJGD	
Cc1nc(-c2ccccc2NC(=O)C(=O)NNc2c(Cl)cccc2Cl)cs1	797020959	QNDWWNXJRGIRIT-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl	799758728	YNKMNIBPQYGOLX-UHFFFAOYSA-N	400.885	4.660	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F	816486635	LUALNHCADFQVBN-KPKJPENVSA-N	419.234	4.996	50	20	HJGD	
CC(=O)Nc1ccc(C)c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	817013922	KAAQGPPGXIPVDI-UHFFFAOYSA-N	419.325	4.748	50	20	HJGD	
COc1ccc(CCNC(=O)CCCC[C@H]2CCSS2)c(Cl)c1OC	817946140	GMOXZSQTRZXORL-AWEZNQCLSA-N	403.997	4.730	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1	899894661	WYIRTYNAMWVKRT-UHFFFAOYSA-N	402.353	4.683	50	20	HJGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)c1cc(C)nc2ccccc12)c1ccccc1	916517658	IFEMSGPQLCWLII-JOCHJYFZSA-N	404.514	4.665	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@@H]1COc2ccccc2O1	918559838	SQIXLOIHUDQBRT-BBRMVZONSA-N	403.809	4.684	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc(OC(C)C)c2)c1C	918817681	IMKMMUZLOHWILS-YPKZHZFPSA-N	410.514	4.750	50	20	HJGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1ccc(Oc2cc(F)cc(F)c2)cc1	921265323	DLMLPRSINYFRIR-LICLKQGHSA-N	400.425	4.595	50	20	HJGD	
CSc1cc(/C(C#N)=C/c2cccc(OCc3cccc(C(=O)O)c3)c2)ncn1	1255999544	VCFHAXLDBLEANA-QGMBQPNBSA-N	403.463	4.540	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@@H](c1ccccc1)c1cccc(Cl)c1	1337500758	URLCVRGOZURUST-IBGZPJMESA-N	414.292	4.727	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccsc3)CCC2)cc1	1790487656	ISKGPJIBDRPYSR-CHHNCHTKSA-N	402.947	4.913	50	20	HJGD	
COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)c3ccoc3C)cc2OC)cc1	213024139	PPEIHBXUSJDIKE-PDGQHHTCSA-N	417.417	4.614	50	20	HJGD	
O=C(CSc1ncccn1)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	254292844	JALQSBMVASXWDE-UHFFFAOYSA-N	416.428	4.655	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)c1	725907176	SCNGMAIIPKIYCW-UHFFFAOYSA-N	417.534	4.643	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3csc(N(C(C)=O)C4CC4)n3)n2)cc1	734304815	XHUMQJCQLMMBJS-DHDCSXOGSA-N	422.535	4.855	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2c(F)cccc2F)cc1	735697734	CLAJSTLZCUMBFL-UHFFFAOYSA-N	418.447	4.942	50	20	HJGD	
C[C@@H](CC(=O)NNC(=S)Nc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	738555651	FLLRCCMOPJFSEQ-NSHDSACASA-N	415.868	4.870	50	20	HJGD	
N#Cc1ccc(CCC(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1	742006770	YARQDOWBMJNEOR-UHFFFAOYSA-N	413.102	4.703	50	20	HJGD	
CCSc1ccc([C@H](C)NC(=O)NNC(=O)Nc2ccc(C)cc2Cl)cc1	743589266	HEMLQHUWOVLXOA-ZDUSSCGKSA-N	406.939	4.857	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccccn2)c(C)n1-c1ccccc1F	743655908	WNWSXRKJTNBCSN-SQVRNEIYSA-N	402.473	4.755	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccn3)c2C)cc1	743722591	SIKUTSUXZMNHNH-CQHJRZBDSA-N	414.509	4.672	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1csc(-c2cc(Br)cs2)n1	748570438	IQGVYDAWJROTGO-UHFFFAOYSA-N	412.309	4.839	50	20	HJGD	
CCN(CC)c1nc2sc(C(=O)NNc3ccc(OC(F)F)cc3)cc2s1	748649241	OAOICBCJIMUUEC-UHFFFAOYSA-N	412.487	4.562	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COc1ccc(N2CCCC2=O)cc1	748670900	YTBBDDGLGYOABK-UHFFFAOYSA-N	423.538	4.529	50	20	HJGD	
CCN(Cc1ccccn1)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	752472037	NYDUZMBJYUWTOO-ZHZULCJRSA-N	402.473	4.584	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(Br)s1	753175519	BTZNXZPVBNEHLA-UHFFFAOYSA-N	404.127	4.592	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccnc(OCc2ccccc2)c1	754153480	HYGUTGYBMXZWQC-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCO[C@H]([C@H]2CCCO2)C1	762975162	KBDZQGABVODAPL-KGLIPLIRSA-N	402.385	4.756	50	20	HJGD	
Cc1noc(C)c1COc1ccc(CC(=O)NNc2c(Cl)cccc2Cl)cc1	763609832	ZSQCFIIPJVPZNY-UHFFFAOYSA-N	420.296	4.863	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3c(Cl)cccc3Cl)cc(C3CC3)nc21	763614885	KBTBJXXFMHSSLT-UHFFFAOYSA-N	404.301	4.953	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCCC3(C)C)s2)cc1	764760369	ILXQZNXOEPKCLI-UHFFFAOYSA-N	420.629	4.913	50	20	HJGD	
O=S(=O)(N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(S(F)(F)(F)(F)F)cc1	765176570	PLWXQKPCZPMWPT-SMDDNHRTSA-N	407.426	4.580	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1	776640568	LTEAQZHZGXFAEL-NSYTUHEQSA-N	404.416	4.678	50	20	HJGD	
C[C@]1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCCC[C@H]1O	777987941	RWVIJHINCHLLJX-ZIAGYGMSSA-N	409.442	4.564	50	20	HJGD	
O=S(=O)(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(S(F)(F)(F)(F)F)c1	777995920	ASOASUNNGRALBX-MJBXVCDLSA-N	407.426	4.580	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1nc(C(F)(F)F)cs1	778509329	RJBOMCZIKXGEDE-UHFFFAOYSA-N	420.388	4.629	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl	780148257	PIFHBZNKRCUELT-OVCLIPMQSA-N	415.255	4.923	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)NC12CC3CC(CC(C3)C1)C2	786590912	YBEVPQFMHLUMMO-OKGBLQAJSA-N	411.633	4.717	50	20	HJGD	
O=S(=O)(CCCCCl)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	788052253	AWKIKJCKVNGTPD-NSHDSACASA-N	402.796	4.733	50	20	HJGD	
CC(=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccnc(O)c1	790287143	CLVDNINIVHDZOH-UHFFFAOYSA-N	416.868	4.810	50	20	HJGD	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NNc1cccc([N+](=O)[O-])c1C	790804769	XBVWXOFBYDWEFS-UHFFFAOYSA-N	420.347	4.642	50	20	HJGD	
CCC(=O)c1ccc(Cl)c(NC(=O)/C(C#N)=C/c2cc(C)n(CCOC)c2C)c1	791950614	YNHIAFHJGHKTDL-WOJGMQOQSA-N	413.905	4.543	50	20	HJGD	
Cn1c(=O)n(CC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c2ccccc21	792547858	AICYTGLYDRAUMG-UHFFFAOYSA-N	407.364	4.636	50	20	HJGD	
COC(=O)Cn1ncc(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1C	797642710	LGYWUMHRXQHLKJ-UHFFFAOYSA-N	414.356	4.666	50	20	HJGD	
CO[C@H](C)c1nsc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	800990957	AEJNCZDQOSIKQY-QJISPJEISA-N	413.547	4.715	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	804768747	SOLHMPYSZJHGHE-UHFFFAOYSA-N	418.837	4.690	50	20	HJGD	
O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	804877137	DVBDUUHIDDWHFM-MSOLQXFVSA-N	414.637	4.750	50	20	HJGD	
Cc1ccc([C@H](NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)C2CC2)cc1	810171402	JDWMFHKCALRBMA-OSIZABCSSA-N	417.553	4.767	50	20	HJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)C(=O)Nc1nc2ccccc2nc1Cl	811626349	HEKDEOPAOGYAQT-VZUCSPMQSA-N	418.762	4.553	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3ncc(C(C)C)s3)cc12	814695426	BALYNRHPYXKFDC-UHFFFAOYSA-N	409.540	4.739	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)cc1	817908384	GAOJKJAHOAUGIQ-UHFFFAOYSA-N	422.268	4.716	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCc2cccc3cccnc23)c1C	898849747	VEGMWIJAKHFFQR-KQWNVCNZSA-N	400.526	4.719	50	20	HJGD	
Cc1cc(C)n(CCCNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	912616737	NJZMFMMQLPHDLS-JCMHNJIXSA-N	407.562	4.537	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(C)c3scnc3C)cc2)cc1	915109668	DDXREGBYSZVGBQ-UHFFFAOYSA-N	409.511	4.583	50	20	HJGD	
Cc1cc(NC(=O)NN(Cc2ccccc2)c2ccccc2)n(Cc2ccccc2)n1	915343076	CDYMIUOIXUGLMF-UHFFFAOYSA-N	411.509	4.983	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2ccco2)nc2ccccc12	916283788	SUEYIIMUWRNSPP-UHFFFAOYSA-N	420.812	4.820	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(N3CCCC3=O)ccc2F)c(C)n1CC(C)C	917799246	VAFCMXHGFUOUNN-ODLFYWEKSA-N	422.504	4.573	50	20	HJGD	
CCCCNC(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2	920821690	DYWRYKVUCDEJRY-PFONDFGASA-N	420.538	4.527	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCSC3)cc2)CCC1	1792285703	LIXZQGGSOQJECF-QAPCUYQASA-N	408.995	4.671	50	20	HJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F)O[C@@H](C)C2	23100644	GKKMAUPMRRMZTP-AAWHYMEISA-N	402.372	4.583	50	20	HJGD	
CC(C)[C@H](CC(=O)NNC(=S)Nc1cccc(Br)c1)c1ccccc1	728614098	OQXWJUSECNZECV-KRWDZBQOSA-N	420.376	4.597	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc3ncccc3c2)c1C	729800980	NSQTVGBDJXWRGY-SLCIXIPPSA-N	403.482	4.511	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1C#N	741848530	OEJMIWBHGZOAQS-ZDLGFXPLSA-N	414.490	4.853	50	20	HJGD	
O=C(NNC(=O)Nc1ccc(Cl)cc1Cl)Nc1ncc(-c2ccccc2)s1	743811360	PBJWRQXVRUIKDL-UHFFFAOYSA-N	422.297	4.975	50	20	HJGD	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1)O[C@@H](C)C2	747598962	LSVFHZACCNXNDD-IWEFOYFVSA-N	420.431	4.674	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)NC(=O)OCc1ccccc1	748670853	XCJYRAKBDHHRCO-OAHLLOKOSA-N	411.527	4.638	50	20	HJGD	
CC(C)(C)c1ccc(C2(CNC(=O)NNC(=O)c3c[nH]c4ccccc34)CCC2)cc1	748827906	WPORVIMDOYCZPG-UHFFFAOYSA-N	418.541	4.531	50	20	HJGD	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NNc2ccc(C#N)c(Cl)c2)c1	753302702	LZNOUIOQWLHAPV-UHFFFAOYSA-N	403.869	4.816	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCC(=O)c1cc(Cl)sc1Cl	755281322	FRBGSIPGFMPLHN-UHFFFAOYSA-N	404.227	4.540	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)cc1	760281527	LNKOCUWZPPYJGS-UHFFFAOYSA-N	421.463	4.906	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NNc1ccc(OC(F)(F)F)cc1	761591844	XJBKDNBJZOVFLG-UHFFFAOYSA-N	424.810	4.549	50	20	HJGD	
O=C1OCc2c1cccc2S(=O)(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762456550	JJSLUZAMLQLOBF-UHFFFAOYSA-N	415.361	4.815	50	20	HJGD	
Cc1nc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)sc1C	762666384	RIWVTIZPCUDLHZ-UHFFFAOYSA-N	415.409	4.672	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1sc(-c2ccco2)nc1-c1ccccc1	766679063	OOVQQWHLTXJRAO-UHFFFAOYSA-N	419.491	4.832	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(-c2cccs2)c1	773757731	YCSHADFJFMVAOS-UHFFFAOYSA-N	405.401	4.516	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1C	777773892	JMJLYDPARMJGCL-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CCCC[C@@H]2CCSS2)CC1	781367186	ZEFJIIZAQNPDGL-JKSUJKDBSA-N	402.626	4.606	50	20	HJGD	
COc1ccc(C(=O)NN=C2CC(c3ccc(Cl)cc3)C2)cc1Br	783846908	QFMWRFANQSCKFE-UHFFFAOYSA-N	407.695	4.775	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(C(F)(F)F)ccc1F)c1nc(C(F)(F)F)cs1	787421067	OMWDHFUIPQDPSU-LURJTMIESA-N	416.322	4.707	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cc2ccccc2n1Cc1ccccc1F	788187974	DDRABRLYAYPSJZ-UHFFFAOYSA-N	407.420	4.733	50	20	HJGD	
COc1cc(NNC(=O)Nc2cc(F)c(Br)cc2F)ccc1Cl	788642720	ARCWXLDAHBOXRR-UHFFFAOYSA-N	406.614	4.538	50	20	HJGD	
COc1ccc(C(=O)NNc2c(Cl)cccc2Cl)c(OCCOC(C)C)c1	789816027	LYIOHEMRYCWNTJ-UHFFFAOYSA-N	413.301	4.563	50	20	HJGD	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NNc1cc(Cl)cc(Cl)c1	791730350	VWPZBHGTPBVYSE-UHFFFAOYSA-N	410.282	4.966	50	20	HJGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)C1	793468299	OCHZONNAWRLAEQ-CMPLNLGQSA-N	409.246	4.506	50	20	HJGD	
C=C(CBr)COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	795487728	RDOCYLBDUHVYQZ-UHFFFAOYSA-N	406.223	4.937	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1cnnc2ccccc12	798109872	RTSMUSZATDVSCH-UHFFFAOYSA-N	414.252	4.657	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799836371	JJISUWBVLBHVHP-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
CC(COC(C)C)=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	799866369	DURVJIXVRMXEOF-UHFFFAOYSA-N	415.493	4.531	50	20	HJGD	
Cc1cc(-c2ncccc2NC(=O)C(=O)NNc2c(C)cccc2C(C)C)cs1	813049700	MQQYUHXANFJKOE-UHFFFAOYSA-N	408.527	4.632	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)c(C)n1C1CCCCC1	813501583	DXZVZDDLCJIQGC-GZHOCHLDSA-N	407.558	4.877	50	20	HJGD	
O=C(O)c1cccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1Cl	814735503	DTMSOWGGMRVCOE-UHFFFAOYSA-N	419.824	4.610	50	20	HJGD	
CCOc1ccc(Oc2c(C=NNC(=O)CC3CC3)c(C)nn2-c2ccccc2)cc1	814987829	FNYBYVVAWFSLMC-UHFFFAOYSA-N	418.497	4.622	50	20	HJGD	
CCc1sc(C(=O)NNc2ccccc2OC(F)(F)F)cc1Br	816202100	DEEMCAMBXLNGHL-UHFFFAOYSA-N	409.227	4.729	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817013759	BNEKTMHAXUDUIW-WZUFQYTHSA-N	417.284	4.914	50	20	HJGD	
O=C(NNc1ncncc1F)c1ccc(Cl)cc1Sc1ccc(Cl)cc1	817076946	ATHBOJDRWWCTCU-UHFFFAOYSA-N	409.273	4.831	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4c(c3)CCC(=O)N4)c2C)c1	914736714	IXGSQDZHXMZMON-BKUYFWCQSA-N	424.504	4.833	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2CN(CC)C(C)=O)c1C	915169123	SCFJPDKOHINHLT-HAHDFKILSA-N	420.557	4.819	50	20	HJGD	
O=C(NN=Cc1ccc(F)cc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	915908858	TZEFQWVQWLXJFF-UHFFFAOYSA-N	423.447	4.903	50	20	HJGD	
CCC(=O)Nc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)c1	916058468	QDIKJXRTEIXLPD-MLHZQLSASA-N	422.529	4.515	50	20	HJGD	
CC[C@@H](C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1	916922743	FIVOPNQBHZHQQS-CYBMUJFWSA-N	415.868	4.870	50	20	HJGD	
COc1ccc(Cl)cc1/C=C(/C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	917144300	DYJKPPIMXUBWRJ-QPEQYQDCSA-N	402.686	4.994	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cnc(-c2ccccc2)nc1	917144798	IFHPLGDSHDDDHC-MFOYZWKCSA-N	404.857	4.660	50	20	HJGD	
CCCCN1C(=O)CC[C@@H](C(=O)NNc2cc(C)ccc2C)[C@@H]1c1ccc(OC)cc1	917158403	DWRKWSRCXUAAGV-QPPBQGQZSA-N	423.557	4.535	50	20	HJGD	
Cn1c(-c2ccccc2)c(C=NNC(=O)c2nnc(-c3ccccc3)o2)c2ccccc21	920381907	SESMTGALMULBQS-UHFFFAOYSA-N	421.460	4.659	50	20	HJGD	
Cc1nc(SCC(=O)NNc2cccc(C(F)(F)F)c2)[nH]c1Cc1ccccc1	932418839	RSJWNGVSLMGPEJ-UHFFFAOYSA-N	420.460	4.563	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(NC(=O)c2cccs2)cc1	932523422	ULXHYTWPDFJLCF-UHFFFAOYSA-N	416.300	4.520	50	20	HJGD	
CC[C@@H](C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1)N(CC)CC	1786011764	UCBGOMHHMLZCOH-IBGZPJMESA-N	422.013	4.506	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cscc3OC)cc2)CCC1	1788829716	KROLOSPXIXSLMG-MRXNPFEDSA-N	406.935	4.522	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@](C)(Cl)CCl)cc2)CCC1	1790489463	SIEFQWYTMUJCKZ-CRAIPNDOSA-N	419.780	4.764	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(C#N)c3)cc2)CCC1	1790796357	LGPTVHKGGQALEL-FQEVSTJZSA-N	409.917	4.632	50	20	HJGD	
Cc1cscc1C(=O)NC1(c2ccc(NC(=O)[C@H](C)Br)cc2)CCC1	1791434784	ZRFSSZKVNXUZSB-ZDUSSCGKSA-N	421.360	4.588	50	20	HJGD	
Cc1ccc([C@H](C)C(=O)N2CCC3(CCCN(C(=O)C(C)(C)CCl)C3)CC2)cc1	1805266474	GDERZCKMCPHACH-IBGZPJMESA-N	419.009	4.595	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1	1818801538	NCKJVOIIJANAQP-RYRKJORJSA-N	406.958	4.556	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C)c2)CC1	1824866886	PGIPPEMLCGFYDK-FGZHOGPDSA-N	419.009	4.565	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)CC1	1832889686	RSYLUXKYNXXNHP-COPCDDAFSA-N	419.009	4.817	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OC	6614578	XJUJRGJKAVIJEN-GXDHUFHOSA-N	404.438	4.954	50	20	HJGD	
Cc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	23973792	SRZGSLZWLRPSHT-MRUVXERFSA-N	407.514	4.547	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](c2cccs2)N(C)C)c(C)n1CCC(C)C	255942881	CPBIABIQCHUJLA-MSTPFNHUSA-N	412.603	4.539	50	20	HJGD	
O=C(NCc1ccc(OCc2ccccc2)cc1)NNc1ccc(OC(F)F)cc1	726706094	WRQROEUJVITDMU-UHFFFAOYSA-N	413.424	4.693	50	20	HJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792593	YFZCRKBHOYGCRA-UHFFFAOYSA-N	421.305	4.805	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H](Sc1ccc(F)cc1F)c1ccccc1	729964895	GTQUVQKRBPEYEV-LJQANCHMSA-N	415.421	4.850	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ncc(-c3cccc(Br)c3)[nH]2)c1	731937709	KSMKVBKCTQGKRF-XNTDXEJSSA-N	408.255	4.638	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(/C#N)C(=O)N(C)C3CCCCC3)cc2)oc1C(=O)O	732714911	HHMLLYFLWFZHRG-AQTBWJFISA-N	422.481	4.563	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2SC)cc1Cl	741165574	OUWPHKSYEZUIDK-NTUHNPAUSA-N	418.902	4.633	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc(Cl)cc2cccnc12	741980649	OVQCXZNDKVRDAM-UHFFFAOYSA-N	412.621	4.686	50	20	HJGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccc(Br)cc2Cl)c1C	743428020	IJTBBXNANKCWPZ-CYBMUJFWSA-N	409.711	4.637	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1nc(C2CC2)n(-c2ccccc2Cl)n1	747591376	UQSSIBFOKCBCAG-UHFFFAOYSA-N	421.810	4.574	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)C(c1ccccc1)c1ccccc1	749555542	ZPQOIHNOFPHGFF-KRWDZBQOSA-N	413.477	4.597	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC([C@H]3CCOC3)CC2)c(C)n1C1CCCCC1	752980643	SKDZKWBABGBHEC-XUVWKZFSSA-N	409.574	4.792	50	20	HJGD	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NNC(=O)CC1CC1	756760575	JRULMGLFZZUBAX-UHFFFAOYSA-N	423.492	4.685	50	20	HJGD	
CN(C)[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	760032885	HQMYKCJYTSRHJQ-IUODEOHRSA-N	409.905	4.854	50	20	HJGD	
O=C(NCc1ccc(F)cc1F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762646098	HNOYWYPXAFZLKR-UHFFFAOYSA-N	416.318	4.877	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3cccc(C(F)(F)F)c3)s2)cc1OC	768089239	VKJWVDHCUZDCCQ-UHFFFAOYSA-N	423.416	4.603	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)c([N+](=O)[O-])c1	768339586	ZBWHLTNFSMBMHC-UHFFFAOYSA-N	413.380	4.614	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)c1	768707475	MGCGCCAAASYRHJ-UHFFFAOYSA-N	413.264	4.596	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNc2ccc3ccccc3n2)c(C)c1	773661279	HIKRYHSONZFPRY-OAHLLOKOSA-N	408.527	4.516	50	20	HJGD	
Cc1cc2c(cc1NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)OCO2	773669050	NFCHKRXFMYREFW-UHFFFAOYSA-N	424.347	4.958	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(COCc2ccccc2)cc1	775640705	JFVPRALRORLYTA-UHFFFAOYSA-N	416.403	4.966	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1c(F)cccc1F)C(=O)c1ccccc1OC(F)F	776193850	VSTJFJCSJAIPAP-FLIBITNWSA-N	401.319	4.746	50	20	HJGD	
Cc1nc(C)c(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)s1	777941581	ZKBTUFDOVQNPCV-UHFFFAOYSA-N	422.466	4.938	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccccc3SC(F)(F)F)c(C)cc2c1	778478872	IHBQJJZTYGMEFW-UHFFFAOYSA-N	407.417	4.921	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3sccc3Cl)cc12	782119180	HVMRKVOPYKLOSH-UHFFFAOYSA-N	400.916	4.874	50	20	HJGD	
O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782910497	KWSZWIMZIFDLGU-UHFFFAOYSA-N	420.337	4.759	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)c1	784885416	WPUFDMPPESJHSL-KRWDZBQOSA-N	421.472	4.664	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1csc(COc2ccccc2)n1)c1ccccc1	787142123	SCVOZYWLFYNJDM-USUABIMMSA-N	403.507	4.897	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1C	792952801	UDGMOFTXBQBZFB-UHFFFAOYSA-N	407.564	4.762	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2nccnc2C2CCC2)c(Cl)c1	805469033	LPMQFBPGUBBYBR-UHFFFAOYSA-N	417.897	4.501	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NNc1cccc(F)n1	806427647	MDOBRJNRRKLZLO-UHFFFAOYSA-N	413.840	4.583	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@H](C1CC1)C(F)(F)F	807546070	IIRFQYVLGGFATH-SNVBAGLBSA-N	412.302	4.740	50	20	HJGD	
COc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1Cl	817015763	QRFNXQBRVQHZQI-UHFFFAOYSA-N	413.705	4.538	50	20	HJGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ccc(C(F)(F)F)nc1Cl	817870493	RDQZTXNBDNBGCH-GMSGAONNSA-N	401.654	4.741	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2=NCCS2)c(C)n1-c1cccc(Cl)c1Cl	906256936	UJJXEXOAIQIQPC-NTEUORMPSA-N	419.337	4.527	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)c1C	914454137	RMHPLWIUIRZKRP-RIWZNOJBSA-N	406.530	4.648	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1C	916403025	XYJLNOCSKUQAFX-CPEHUTGBSA-N	418.541	4.574	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(-c3ccccc3)o2)c1C	917787282	ANMLRNWCTCOOHP-QLTNSANVSA-N	417.509	4.796	50	20	HJGD	
O=C(NNC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc2ccccc2c1	918780128	RKWPMUDXTIVJLA-OAQYLSRUSA-N	412.493	4.555	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(F)cc2F)c1C	918817293	DTIGXYWOKHHGFB-UVSBIQGWSA-N	402.441	4.802	50	20	HJGD	
Cc1c(C(=O)NNC(=O)CSc2ccc(Cl)cc2)sc2ccc(F)cc12	919684256	MTQRCOUIJLEZGF-UHFFFAOYSA-N	408.907	4.556	50	20	HJGD	
CN(N=Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(=O)OC(C)(C)C	920381029	JDTHDDLPMKDWHV-GFCCVEGCSA-N	400.319	4.759	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c(Br)cc1O	921269536	OBDJLKCOBOEGRY-AWNIVKPZSA-N	411.255	4.743	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c(Br)cc1O	921269985	QKOCHQNMYBEPDR-MLPAPPSSSA-N	414.284	4.746	50	20	HJGD	
CCOc1ccc([C@@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)c2ccccc2)cc1	1318639523	FLUWUGOYXWGMTM-QFIPXVFZSA-N	419.529	4.589	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@@H](Br)C(C)(C)C)ccc1F	1320279067	FQQSWVUXCOHPMW-CYBMUJFWSA-N	403.292	4.921	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc2c(OC(F)(F)F)cccc2[nH]1	1325806817	IJOOKMPLDCQANU-UHFFFAOYSA-N	405.163	4.525	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1	1790285904	ZMZZAKNWHLVBQZ-HXUWFJFHSA-N	409.917	4.713	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccccc3)CCC2)cc1	1790488878	LXYHXOZIBNDOEN-ACRUOGEOSA-N	410.945	4.942	50	20	HJGD	
CC(C)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2	1792882094	GQUIZDPLKNAISE-MUJYYYPQSA-N	422.953	4.557	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2C)CC1	1825780715	IJNUQDAJMHSIPG-ZWKOTPCHSA-N	411.011	4.697	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-c2ccccc2)cc1	1847867945	ZNNBRLCLSFGTPV-FSSWDIPSSA-N	410.945	4.577	50	20	HJGD	
O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NNC(=O)c1ccccc1F	10369077	YKHIWOFRNPYRGU-UHFFFAOYSA-N	419.431	4.507	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(F)cc1	16883869	LQPCQRDVMMUDGB-LDADJPATSA-N	419.383	4.982	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1	219923795	TWAHISYOJRPRNR-QJISPJEISA-N	412.873	4.525	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2ccc(F)cc2)cc1	301237317	CAKLIOKZLUMRDB-UHFFFAOYSA-N	404.420	4.883	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(Cl)c2)cc1OC	303362530	HUWVFSPPAYQEMD-GHXNOFRVSA-N	408.788	4.504	50	20	HJGD	
CC(C)Sc1ccc([C@H](C)NC(=O)NNC(=O)Cc2ccc3ccccc3c2)cc1	728956749	CQRFJXPFXFENMA-KRWDZBQOSA-N	421.566	4.974	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)c2ccccc2n1	729053859	DWWSQXNXTGEDDQ-INIZCTEOSA-N	422.554	4.749	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C)c1ccccc1	731998706	AGDDMRGNIHQECP-KRWDZBQOSA-N	413.930	4.727	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H](CN3CCCC[C@H]3C)C2)c1C	733779879	SLOVSJFIQQQCLA-VXCQTLHCSA-N	410.606	4.535	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)[C@H]1C[C@@H]1c1c(F)cccc1F	734865688	YBKQKQIMONCMFG-UWVGGRQHSA-N	401.638	4.628	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)OCC/C=C/c2ccc(Br)cc2)cc(C#N)n1C	735340757	AVDDVGVAWNBCSK-QXEVTIDZSA-N	424.298	4.521	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=C2CCC[C@@H]2Cc2ccccc2)c1Cl	735610864	ZYNKNJPLECWIAR-LLVKDONJSA-N	411.720	4.753	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCc2nc(C(F)(F)F)cs2)c1C	742930746	YEWIAAHOVDENAL-MHWRWJLKSA-N	424.492	4.646	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](c2ccccc2)C2CCCC2)c(Cl)c1	745656961	DSIPJPXJDOOCET-LJQANCHMSA-N	400.910	4.916	50	20	HJGD	
CCN1CCc2nc3ccccc3c(C(=O)NNc3ccc(Cl)cc3Cl)c2C1	748012711	QCLRNTQKBCSXBW-UHFFFAOYSA-N	415.324	4.677	50	20	HJGD	
N#Cc1csc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1	748075830	YYWIWEWUKHEDPU-UHFFFAOYSA-N	400.438	4.738	50	20	HJGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNC(=S)Nc1ccccc1C(C)C	749531310	OBWXHPJYOQRYLX-UHFFFAOYSA-N	412.342	4.757	50	20	HJGD	
Cc1cccc([C@@H](NC(=O)NNC(=O)c2ccc(Br)s2)C(C)(C)C)c1	749614559	CQLVGXMAGSHXKH-OAHLLOKOSA-N	424.364	4.550	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(F)cc2Br)cnn1C1CCCC1	752627234	UYHCETXOHWKGPR-UHFFFAOYSA-N	409.303	4.609	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1Cl	753315350	HBDSLMLLHAUNTB-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccccc1NCc1ccco1	753506374	UANKONZYNCYJBT-UHFFFAOYSA-N	414.303	4.974	50	20	HJGD	
Cc1nccc(NCc2cccc(C(=O)NNc3c(Cl)cc(F)cc3Cl)c2)n1	755706864	XGZJHBOXFUWLOS-UHFFFAOYSA-N	420.275	4.600	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c1C	756785134	UAZUHRKVKZESLW-PXLXIMEGSA-N	423.532	4.769	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2O[C@@H]2CCOC2)c(C)n1CCC(C)C	760154736	TZJBUJCFSKPDMV-QJUACMODSA-N	421.541	4.864	50	20	HJGD	
COc1ccc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1O	769295377	VXHJUXJOVHWLHP-STZFKDTASA-N	421.541	4.890	50	20	HJGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3ncc(Cl)cc3Cl)c2c1	775270751	WMUOODVHZWWTLK-UHFFFAOYSA-N	403.269	4.580	50	20	HJGD	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NNc2cccc(C(F)(F)F)c2)c1	775622940	AQCTVDGXIGSNBA-MUUNZHRXSA-N	413.465	4.901	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cccc(Br)c1OC(F)F)c1ccccc1	776725291	ITRMHSWJFUZLDX-GQVHDAKQSA-N	421.241	4.835	50	20	HJGD	
COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777626535	WOTPVABRYVQCKF-UHFFFAOYSA-N	420.381	4.568	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cccc1[N+](=O)[O-]	789818837	OBRJGEMFFSFLCB-UHFFFAOYSA-N	405.332	4.939	50	20	HJGD	
COc1cccc(Cl)c1CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	790539830	BUYQSUHTNQCLTR-UHFFFAOYSA-N	424.888	4.552	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cc(-c2cccs2)nc2ccccc12	791069076	DJERGUPPBFTFRB-UHFFFAOYSA-N	408.414	4.768	50	20	HJGD	
Cc1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1NC(=O)c1ccncc1	791727695	RQABEQHHSKUHOM-UHFFFAOYSA-N	415.280	4.706	50	20	HJGD	
C[C@@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1	795072764	GYAAFISXMNJJPK-GUBOREFTSA-N	417.387	4.940	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)c3ccc(Br)s3)s2)cn1	800791110	FCBYGBHQSQJFEJ-POHAHGRESA-N	404.314	4.762	50	20	HJGD	
CCOC1(C)CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	815660624	FALJIKDGZUKMAS-UHFFFAOYSA-N	416.412	4.700	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3nc4ccccc4n3C)oc2c1	816576580	AHMPSMOQTIAXSM-UHFFFAOYSA-N	412.449	4.752	50	20	HJGD	
Cc1ccc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)c(Sc2ccccc2)c1	819551631	GAFKPHKVIVLSOQ-UHFFFAOYSA-N	420.538	4.997	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc3ccccc23)c(C)n1C[C@@H]1CCCO1	914478390	KYLXSMZIANUZOS-BJYRUZDYSA-N	413.521	4.661	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(OCC)c(OC)c2)c1C	915181321	RQGMGHNNCCGNOE-STZFKDTASA-N	409.530	4.536	50	20	HJGD	
Cn1c(/C(C#N)=C\c2cnn(-c3ccc(Br)cc3)c2)nc2ccccc21	917145337	OIPYFYKUSWWTND-GDNBJRDFSA-N	404.271	4.586	50	20	HJGD	
CCN(CC)Cc1csc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)n1	1338614724	UCVGSFVWPFMNKJ-VXLYETTFSA-N	413.591	4.605	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)/C=C\c2cc(Cl)cc(Cl)c2)cc1	1352253764	UEHJARWDIDSJCS-BAQGIRSFSA-N	424.353	4.812	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3C)CCC2)cc1	1786444789	KOHMIKHRWQEMCP-HXUWFJFHSA-N	413.949	4.854	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(O)c3)cc2)CCC1	1791334569	PPDZFMKDHMZYNM-ACGJQVIASA-N	412.917	4.557	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)[nH]n1	1815322066	KQFNYWYDEMHWQC-SJLPKXTDSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](F)Cl)[nH]n2)CC1	1822099199	HOWOMAQXWBGTLQ-GZOSKZMVSA-N	412.937	4.543	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C)CC1	1824618125	PNMSBTDEENVKJM-NHCUHLMSSA-N	422.972	4.775	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830346186	AAMBPVRBJGMSHA-CTDFXDFQSA-N	409.014	4.618	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1	7634932	QWNMMJWRMDTNAN-YHZJOHHESA-N	412.873	4.525	50	20	HJGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(F)(F)F)cc2)s1	23389988	VSQAXAFVHIGDNL-NTCAYCPXSA-N	408.445	4.884	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cn(C)nc1-c1cc2ccccc2o1	63276170	WMYDCBZFZKLYAU-ATVHPVEESA-N	412.449	4.778	50	20	HJGD	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(OC)c1O	116168825	RIZPEJZYWKZUFP-GDNBJRDFSA-N	416.449	4.990	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)/C=C\c2cccc(OC3CCCC3)c2)c(C)c1	727864471	LDXFNZMRMICAAT-QBFSEMIESA-N	409.555	4.656	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)sc2c1	732626609	KNEMGTRUGWPQRF-UHFFFAOYSA-N	417.874	4.661	50	20	HJGD	
N#C/C(=C/c1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)Nc1ccccc1F	732713929	OCGSQWZSKFPFQN-LCYFTJDESA-N	411.234	4.524	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cnc2ccsc2c1	742070935	FAJSMPAFXONOFO-UHFFFAOYSA-N	416.222	4.835	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1c[nH]cc1-c1ccc(F)cc1	742108222	LBLRWIFMKUFFPH-UHFFFAOYSA-N	410.193	4.618	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1Cl)c1ccc(Br)s1	743428733	JIYVRIGXXDXZGO-UHFFFAOYSA-N	422.529	4.690	50	20	HJGD	
O=C(NNC(=O)NC1CC(c2ccccc2)C1)Nc1ccc(-c2ccccc2)cc1	743587977	VDQGPNVESDAQDY-UHFFFAOYSA-N	400.482	4.636	50	20	HJGD	
Cc1cccc(C(C)(C)CNC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1	745100743	WRMPXGOOZBPXMW-MGSPXPDISA-N	419.569	4.593	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2OCc2ccccc2Br)cc1	748101145	ZTUGLBYZMGZWBQ-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
CC(C)C1(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1	753262171	MNONCRKKHFXDJF-PDGQHHTCSA-N	421.932	4.577	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@H]1CCOc2c1ccc(Cl)c2Cl	753780859	QGQKUYOLHGEZMI-ZDUSSCGKSA-N	418.227	4.745	50	20	HJGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(OC)c(OC)c2)cc1Cl	753887459	JXWFGXLTTGRVCA-WUXMJOGZSA-N	407.253	4.565	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2cccc(Br)c2)c1-c1ccccc1	754178742	QNMJEPQLKIAHFZ-UHFFFAOYSA-N	413.319	4.825	50	20	HJGD	
COc1ccc2[nH]cc(C3=CCN(C(=O)[C@@H](Br)C(C)(C)C)CC3)c2c1	767031474	HIKROTKBBRKCST-GOSISDBHSA-N	405.336	4.602	50	20	HJGD	
CCOC(=O)NNC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C	770040180	VUIREIIEZMCEIM-UHFFFAOYSA-N	413.453	4.514	50	20	HJGD	
C[C@H](CBr)COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1	770315518	FARRKDRSZSHFLN-BEFAXECRSA-N	401.304	4.568	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNc2ccnc(Br)c2)cc1	771116828	WLUGZUKQEZXTPB-SFHVURJKSA-N	422.286	4.648	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(F)c(F)c2F)nn1-c1ccc(Cl)cc1Cl	776473920	XNDDOEUEZKTFMK-UHFFFAOYSA-N	415.202	4.662	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c(-c2ccc(C#N)cc2)n1	777871254	JZHHMGQUCLHQCG-PXNMLYILSA-N	411.852	4.883	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2csc([C@H](C)OC)n2)c1C	782469662	LKUOYUGXCNXOOY-PMFHANACSA-N	401.532	4.719	50	20	HJGD	
Cc1cc(C(=O)CCC(=O)Oc2ccc([N+](=O)[O-])cc2Br)c(C)s1	783383264	AHVCUVBSFJWGEE-UHFFFAOYSA-N	412.261	4.604	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1F)c1ccc(C(F)(F)F)cc1	798981547	LYZSLRJKJLSCAN-SECBINFHSA-N	405.189	4.854	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(F)cc1OCCC(F)(F)F	800593842	RQOQKTVZJXPRNM-UHFFFAOYSA-N	408.355	4.854	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)c2ncccc12	801102585	YLKSIJLDVOWWKN-UHFFFAOYSA-N	410.739	4.572	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccccc1Oc1ccncc1	801176071	PGAICQGBXLUACP-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)NNc1ccc(-n2ccnc2)nn1	806244863	ATXAFHDSEIRMFA-UHFFFAOYSA-N	423.546	4.544	50	20	HJGD	
CCOC1(C)CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	813709986	ASQGLOFDILCFIK-UHFFFAOYSA-N	409.442	4.924	50	20	HJGD	
O=C(NN=Cc1c(Cl)nc(Cl)n1-c1ccccc1)c1ccc(Cl)cc1F	814862770	UBPHGJRLRPHEHU-UHFFFAOYSA-N	411.651	4.736	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)OC3CCCCC3)c2)cc1	834744049	JDKSIBTVJMPYAM-RGEXLXHISA-N	404.466	4.730	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2sc3cccc(C)c3c2Cl)cc1	875509922	PFQYYSMAQNLOEJ-UHFFFAOYSA-N	419.959	4.893	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2nc3ccccc3s2)c(C)n1CCC(C)C	895417071	NSARIQXTMTUWAB-UNOMPAQXSA-N	406.555	4.984	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CCO)Cc2ccccc2)c(C)n1C1CCCCC1	914533033	FLCUSHZLNLQKAO-KQWNVCNZSA-N	405.542	4.538	50	20	HJGD	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C2CC2)cc1F	916291025	JMMFIIRJKUWDFM-UHFFFAOYSA-N	420.488	4.717	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2OC(F)F)cc1	1317670812	FGBSPRIQYIKPJU-LCYFTJDESA-N	424.350	4.834	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc([S@@](C)=O)cc2)c(C)n1C1CCCCC1	1339532559	GNGPROCGQWIBKJ-WQIJTYIXSA-N	409.555	4.893	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1	1786442010	HBFPIWRTVHOKLG-OAQYLSRUSA-N	423.944	4.642	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1	1787627480	VMGRQGVNTAQTNX-FQEVSTJZSA-N	411.373	4.937	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nc(C)c(C)s3)cc2)CCC1	1789982030	JHUPKTDZQYFMBY-QGZVFWFLSA-N	419.978	4.915	50	20	HJGD	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Br)cc2)CCC1	1790533333	QJVBDXOMVKZCCG-QGZVFWFLSA-N	423.326	4.579	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Br)cc3)CCC2)s1	1791432956	DYFPVXBQPVEPQV-ZDUSSCGKSA-N	421.360	4.588	50	20	HJGD	
C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1791733159	OTBGNLDEHIYQQH-HNAYVOBHSA-N	402.897	4.534	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F	730596206	NAAQFWZWXVEWMJ-UHFFFAOYSA-N	423.513	4.750	50	20	HJGD	
CCSc1cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)ccn1	731478370	BSSREOBMNJAXGE-UHFFFAOYSA-N	420.254	4.732	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)C(=O)N(C)C3CCCCC3)o2)c([N+](=O)[O-])c1	732716494	SDXXQJOBSWVWLY-QINSGFPZSA-N	409.442	4.561	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)ccc1OC(=O)c1cccs1	732803964	BNTNZCBNVUMEOV-GHRIWEEISA-N	424.522	4.674	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccc(Br)c(C)c3)cs2)cc1	734251271	KAPLBLLJFGVZJF-UHFFFAOYSA-N	416.344	4.875	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3C)o2)cc1	734305595	DEDOHEKIQQOBJP-NBVRZTHBSA-N	404.441	4.669	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1	735022965	WQELHOQIQZPEPU-MUUNZHRXSA-N	421.994	4.572	50	20	HJGD	
CC[C@@H](NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc(F)cc1	738416046	HRONPODPXGCJHK-LJQANCHMSA-N	408.502	4.920	50	20	HJGD	
COc1cccc(C[C@]2(C(=O)NNc3ncccc3C(F)(F)F)C[C@H]3CC[C@H]2C3)c1	740086662	DADBNDNQPWRMJO-QYWGDWMGSA-N	419.447	4.601	50	20	HJGD	
COc1ccc(C(=O)NN=C(C)c2ccc(SCC(F)(F)F)cc2)cc1OC	741756074	BSTFYHNWUITNIN-UHFFFAOYSA-N	412.433	4.512	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1C#N	741847329	FKSZQPZRGDKCIL-DHDCSXOGSA-N	420.881	4.889	50	20	HJGD	
COc1ccc(C(=O)Nc2ccccc2C(=O)NNc2c(C)cc(C)cc2C)cc1	743762645	FKJVXINUVKGCAT-UHFFFAOYSA-N	403.482	4.630	50	20	HJGD	
O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NNC(=O)C1CCCC1	746122710	YKBLBJNSELIWRE-UHFFFAOYSA-N	412.489	4.885	50	20	HJGD	
CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)NNc1oc(C(C)C)nc1C#N	746184219	IAFBZFMSKHPJJQ-UHFFFAOYSA-N	423.439	4.682	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(-c2cccc(Cl)c2)on1	748704584	KGKYVIQLXSIFHZ-UHFFFAOYSA-N	411.767	4.693	50	20	HJGD	
O=C(COc1ccccc1Cc1ccccc1)NN=Cc1sc(Cl)nc1Cl	755509725	YKHUPHIRBFRVLI-UHFFFAOYSA-N	420.321	4.570	50	20	HJGD	
Cc1c(CSC(C)C)cccc1NC(=O)NNC(=O)c1ccc2ccccc2n1	756762865	SERBRCDKZMUVLE-UHFFFAOYSA-N	408.527	4.651	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1	758148630	KSRGPJPVNCECHL-UHFFFAOYSA-N	410.930	4.650	50	20	HJGD	
CCCc1c(C(=O)NNc2ncc(Cl)cc2Cl)cnn1-c1ccccc1C	760517056	IPSSZKOFQQXHBW-UHFFFAOYSA-N	404.301	4.592	50	20	HJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3ccc(OC(F)(F)F)cc3)c2)cc1	761585177	SOMFPMVHWOYPRF-UHFFFAOYSA-N	412.371	4.957	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)c1ccc(Cl)c2ccccc12	765918585	LVTBDPAZVHVXHG-CYBMUJFWSA-N	407.857	4.945	50	20	HJGD	
CC1(C)CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1C(=O)O	766329696	XRJYYJJKTLJLAK-GFCCVEGCSA-N	423.425	4.608	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1c[nH]c2cc(F)ccc12	767717394	LRZBIRCDXXLMFV-WZUFQYTHSA-N	414.190	4.768	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCc2ccon2)c(C)n1-c1cccc2ccccc12	770106461	LLIDQSMUEYPBPV-RCCKNPSSSA-N	410.477	4.501	50	20	HJGD	
C[C@H](NC[C@@H](C)CBr)c1cccc(NC(=O)Cc2ccccc2F)c1	770668083	VLLHSYIIOQWDEA-GJZGRUSLSA-N	407.327	4.689	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(Cl)ccc1OC(F)F	771674596	JANGSRCUMXVLPM-UHFFFAOYSA-N	409.589	4.600	50	20	HJGD	
O=C1C/C(=C/c2ccc(OCCBr)c(Cl)c2)C(=O)c2ccccc2N1	774147171	YLSKZGVRBQVCQT-LCYFTJDESA-N	420.690	4.722	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)c1C	776401633	GXCNZGSKTYKAJV-KGENOOAVSA-N	411.521	4.625	50	20	HJGD	
O=C(NNc1ccccn1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	777474657	QAKYGBCQNKAJKA-UHFFFAOYSA-N	423.479	4.508	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@@H]1C[C@H]1c1cccc(Br)c1	779201733	VHYFMKJCTAEIMS-QWHCGFSZSA-N	415.209	4.595	50	20	HJGD	
O=C(/C=C/c1ccccc1OC(F)(F)F)NNc1ccccc1OC(F)(F)F	779208903	GDXBWOBRXFFORL-MDZDMXLPSA-N	406.282	4.640	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2OC(F)(F)F)cnn1-c1cccc(F)c1	779218123	VJGPSLAEDQDAPE-UHFFFAOYSA-N	422.382	4.619	50	20	HJGD	
COC[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	785961945	ILAKXHCVFHJIDT-HSZRJFAPSA-N	413.885	4.631	50	20	HJGD	
CN1C(=C(C#N)C(=O)CCC(=O)Nc2ccc(C3CCC3)cc2)N(C)c2ccccc21	787683733	AZJNKKOMLRIBRS-UHFFFAOYSA-N	414.509	4.563	50	20	HJGD	
CC[C@@H](C)c1ccc([C@H](NC(=O)NNC(=O)c2cccc(C)n2)c2cccs2)cc1	792792224	OCAIIALHBFCIFJ-VFNWGFHPSA-N	422.554	4.699	50	20	HJGD	
CSc1ccsc1C(=O)NNc1c(Br)cccc1Br	801501069	AGOKHSYHTPPQMG-UHFFFAOYSA-N	422.167	4.752	50	20	HJGD	
O=C(NNC(=O)c1ccccc1CSc1nc2ccccc2o1)Nc1ccccc1	801986865	JYJKYNWHOGOIBG-UHFFFAOYSA-N	418.478	4.587	50	20	HJGD	
N#C/C(=C/c1ccc(SC(F)(F)F)cc1)c1nc(N)nc(Nc2ccccc2)n1	810216675	YYFVMBLTFDXILW-RAXLEYEMSA-N	414.416	4.873	50	20	HJGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C	817014549	NNHJLUYCYUTZRF-UHFFFAOYSA-N	407.314	4.629	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](c2cccs2)N(C)C)c(C)n1C1CCCCC1	863940533	IVSSMRCJTUUHQC-FGGAIWKESA-N	424.614	4.998	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nccs2)c(C)n1-c1ccc(F)c(F)c1F	914787086	YBRKMMACJFWYGO-JYRVWZFOSA-N	402.401	4.514	50	20	HJGD	
CC[C@@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)c1ccc(OC)cc1	915911698	GWUUTCHDUJJALG-CYBMUJFWSA-N	403.697	4.828	50	20	HJGD	
CCCC(=O)Nc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	916078745	ASYHCSHLCVRWIV-XKZIYDEJSA-N	420.557	4.723	50	20	HJGD	
Cc1ccc(NNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)cc1	916162122	BLXZEQLZITVIFH-UHFFFAOYSA-N	403.313	4.790	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)c3ccc4ccccc4n3)c2Cl)cc1	916244278	QHEXUOSGHRTJFL-UHFFFAOYSA-N	417.900	4.514	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)C2CCCC2)c1C	916496514	GQISQFQPBRVCHJ-VOGGAGISSA-N	405.542	4.706	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2csc(-c3ccc(F)cc3)n2)cc1	916611823	DMYACPHBUHGKMR-BOPFTXTBSA-N	408.454	4.998	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccs2)c(OC)c1	917596742	OZHWKDLFQFTDQP-ATVHPVEESA-N	420.490	4.890	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cnc2ccccc2c1C(F)(F)F	918595630	WIPRIVXRIBEBSA-UHFFFAOYSA-N	410.739	4.572	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(CN(C)C(C)C)CC2)c(C)n1CCC(C)C	918701255	PYPMBODDQGMTRO-BUVRLJJBSA-N	412.622	4.637	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3cccc(Br)c3)cs2)c1	932489207	SCLZUDGVLNEBPZ-UHFFFAOYSA-N	402.317	4.567	50	20	HJGD	
COc1cc(CCC(=O)NNc2ccc(C)c(Cl)c2)ccc1OCC(F)(F)F	1338141729	ZAEXAIBDXJDBLV-UHFFFAOYSA-N	416.827	4.674	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CCC1)[C@H](F)Cl	1786030475	WJBYMJJDDQUNBV-OTWHNJEPSA-N	418.871	4.598	50	20	HJGD	
O=C(CCCC(F)(F)F)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1786621201	QHYLTBVZKFREGX-UHFFFAOYSA-N	411.251	4.657	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1	1787275695	ADHOYHXIKYFSLZ-GOSISDBHSA-N	411.354	4.732	50	20	HJGD	
Cc1cccc2cc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](F)Cl)CCC4)cc3)[nH]c12	1789253721	XFYIEJPEOUSWFI-LJQANCHMSA-N	413.880	4.758	50	20	HJGD	
COC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/C3CCCCC3)CCC2)cc1	1791569458	FFYNDHGCEGKQME-BNCSFYMNSA-N	418.965	4.511	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1	1815324749	WTVQRTFBNRNVGC-REOHEROTSA-N	420.985	4.780	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1	1824010805	FAYQTTRZGVAQQM-OVKVCFKUSA-N	423.022	4.646	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1C	45328197	WJFJKQRGVNMHFQ-PGGUJSHWSA-N	407.514	4.618	50	20	HJGD	
COc1cc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c2c(c1)C[C@H](C)O2	727743687	GTJGFTQHTJPSPT-FSKGUYTJSA-N	424.305	4.664	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cccc(Oc2ccccc2)c1	727793382	GMLMDZJGNZURFZ-UHFFFAOYSA-N	401.249	4.861	50	20	HJGD	
Cc1ccsc1-c1nnc(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)o1	730151362	TUGMHDXQHAGJET-GZTJUZNOSA-N	412.521	4.721	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(n2cc(Br)cn2)CC1	731652242	JRGRADYNRZERQA-OAHLLOKOSA-N	418.426	4.523	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1ccccc1SCc1cccs1)c1ccccc1	732001000	RFJCQSSUQDMKPX-SFHVURJKSA-N	410.564	4.995	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1ccccc1OCc1ccc(Cl)cc1	733808991	QTJFBQOQPQHQRB-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc(-c2ccccc2)n(-c2ccccc2)n1	734248976	DVMPQLAQVZODKX-UHFFFAOYSA-N	411.490	4.906	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c(C)n1CC(C)C	736490070	AGNHCPIKXZDGLG-PPRFWAEMSA-N	420.557	4.532	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1C	739629953	XLDSEWSYAWMRPN-YSSBIZNGSA-N	407.514	4.618	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(Oc2ccncc2)c(Cl)c1	740140335	XWTZLXJSBCZGNE-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cnn(C)c2)c(C)n1-c1cccc2ccccc12	741586982	UUULGQBQXFQXON-FPJJECCMSA-N	423.520	4.765	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](CN3CCCCC3)C2)c(C)n1C1CCCCC1	742117296	AJEBNVCRBBTRKD-RRDPUDRWSA-N	422.617	4.852	50	20	HJGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(-c2ccccc2)cc1	742457435	CQAJTWXYVLVDFQ-UHFFFAOYSA-N	413.399	4.517	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1C	743297049	LWIMAJBPRJMDOV-CVEARBPZSA-N	408.354	4.732	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCc2nc3ccccc3o2)c(C)n1CCC(C)C	743802055	VLMNEIFJADVSIJ-XSFVSMFZSA-N	404.514	4.558	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1cc(C)ccc1C)c1cccc(C(F)(F)F)c1	743820047	LWBIKSAIZMIHLP-GXDHUFHOSA-N	407.461	4.743	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(N3CCOC3=O)ccc2C)c1C	744382294	OYEFBKACGMFGEG-MOSHPQCFSA-N	420.513	4.716	50	20	HJGD	
Cc1csc([C@H](NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)C2CC2)n1	745864353	OGODNTRDPOEPOZ-LJQANCHMSA-N	421.526	4.606	50	20	HJGD	
CCOc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc(OCC)c1OCC	747590590	ABTYIHPNAYXMLP-UHFFFAOYSA-N	412.408	4.658	50	20	HJGD	
Cc1cc(NNC(=O)C2(c3cccc(Cl)c3)CCOCC2)ccc1Br	748607654	UDPKAIBFCPPVPA-UHFFFAOYSA-N	423.738	4.602	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c2ccc(F)c(F)c2)c1C	750979975	VLDIARSCGDWXFO-ZNBBLSJYSA-N	415.484	4.549	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(-c2noc(C(F)(F)F)n2)cc1	752811590	YOLXAYXEKFGBJP-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	756029643	JNZQKIAVOSCHRG-CYBMUJFWSA-N	416.374	4.706	50	20	HJGD	
O=C(NNC(=O)c1ccccc1CCC(F)(F)F)c1ccc(Cl)cc1Cl	758109535	ZHQQXPANWJMMFU-UHFFFAOYSA-N	405.203	4.563	50	20	HJGD	
Cc1nc(C)n(-c2ccccc2NC(=O)NN(Cc2ccccc2)c2ccccc2)n1	759979183	MWQBONPCTMBBAS-UHFFFAOYSA-N	412.497	4.627	50	20	HJGD	
O=C(NN=CCc1ccc(F)cc1Cl)c1ccc(Br)cc1Cl	766451223	QALKZSYOPDRKKR-UHFFFAOYSA-N	404.066	4.853	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(OC)c1	768483325	KNPOWNIEWJAGTP-ZSOIEALJSA-N	415.287	4.629	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(OC(F)F)c2ncccc12	769983361	VPQQZMUXLGSXPF-UHFFFAOYSA-N	401.398	4.595	50	20	HJGD	
N#C/C(=C/c1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773144433	LEEPBGMYYDEEKS-DHDCSXOGSA-N	402.347	4.527	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)ccc1NC(=O)OC(C)(C)C	775254893	XBRJTHPZOVHIDQ-UHFFFAOYSA-N	410.396	4.513	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	775548821	XTCXBOIHNFMNEW-UHFFFAOYSA-N	421.844	4.882	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ncc(Cl)cc2Cl)c1C	777041853	QBGSPMQSIBMMPO-JWYAVWBNSA-N	422.312	4.665	50	20	HJGD	
CC[C@H](OC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)c1ccc(Br)cc1	782628743	YNULYAOQNOOREQ-HVRVZBDQSA-N	412.287	4.569	50	20	HJGD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982671	YKGRBOLZBQVWEF-MJBXVCDLSA-N	421.453	4.826	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@H](C2CCOCC2)C1	782986268	FCQDELWEIOIVLU-CYBMUJFWSA-N	421.453	4.781	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC([C@@H]2CCOC2)CC1	784385425	MXLLQPRVCWEMGF-CYBMUJFWSA-N	421.453	4.781	50	20	HJGD	
Cc1ccc(-c2csc(NC(=O)C(=O)NNc3ccc(C(C)(C)C)cc3)n2)cc1C	784805644	ONSPHMBODFPGMJ-UHFFFAOYSA-N	422.554	4.806	50	20	HJGD	
CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)CC2	788019230	JRJLBSGMSCRCHD-YADHBBJMSA-N	419.682	4.960	50	20	HJGD	
CC(C)c1c(NS(=O)(=O)c2ccc(CCCl)cc2)cnn1-c1ccccc1	792702106	FOKFWINYXLUHSC-UHFFFAOYSA-N	403.935	4.578	50	20	HJGD	
Cc1cnn(C)c1/C=C(\C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	794686911	PTZCPWHSUJZLTF-VZUCSPMQSA-N	418.309	4.705	50	20	HJGD	
C[C@H](Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C(=O)O	794689347	AFFMJWUQPMMEQZ-XKYMITNMSA-N	401.447	4.598	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(Cl)nc2cc(Cl)ccn12	794689706	CSTSTGZFDWGDMH-FMIVXFBMSA-N	401.253	4.585	50	20	HJGD	
CCc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)c2c(CC(C)(C)C)noc2n1	800521767	IDJLNCLXOVMVIH-UHFFFAOYSA-N	406.408	4.548	50	20	HJGD	
O=C(NN=C1CCC[C@H]1CCCF)c1nc(-c2ccccc2)n(-c2ccccc2)n1	800807001	LGRZJOJGSUZYLW-KRWDZBQOSA-N	405.477	4.570	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]	805377014	PZQOUEPPQZDQQN-UHFFFAOYSA-N	424.438	4.720	50	20	HJGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)Nc4ccccc4S[C@H](Cl)C(F)(F)F)[C@@H]1[C@H]3C2	806184207	VQRGKZAHHDKXHO-ACFQZOATSA-N	420.884	4.793	50	20	HJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1Br	811627792	HAEMBKMFUAWSBG-VZUCSPMQSA-N	411.177	4.719	50	20	HJGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1	812406141	NMRWKSASUISJGM-UHFFFAOYSA-N	421.460	4.957	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(-c2ccccc2)c1Br	812767074	SGYWYCMFKBDSRI-UHFFFAOYSA-N	413.319	4.824	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C(F)(F)c1cc(Cl)ccc1Cl	857488703	KBXBKAYXPGPLGX-UHFFFAOYSA-N	400.134	4.642	50	20	HJGD	
O=C(Nc1nnc(Cc2ccccc2)s1)NN(Cc1ccccc1)c1ccccc1	915309781	TVSJDOSVYVSLPX-UHFFFAOYSA-N	415.522	4.872	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1ccc(OCCC(C)C)cc1	916285650	YBASBLDHPOMDMC-UHFFFAOYSA-N	404.514	4.678	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(-c3ccccc3)o2)c1C	917787280	ANMLRNWCTCOOHP-FPJJECCMSA-N	417.509	4.796	50	20	HJGD	
O=C(NNC(=O)c1ccccc1)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	918004656	JKSCWKKDGWDEQS-LJQANCHMSA-N	414.292	4.727	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccccc2Cl)s1)c1nnc(-c2ccccc2)o1	920385023	JQSVZTCLHDKXLE-UHFFFAOYSA-N	408.870	4.882	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1	932444236	FDNGLVQEEDPCDK-UHFFFAOYSA-N	407.474	4.509	50	20	HJGD	
N#C/C(=C\c1ncc(-c2ccccc2)[nH]1)S(=O)(=O)c1cc(Cl)ccc1Cl	1251746994	YORLFYMPBHYBAX-NTEUORMPSA-N	404.278	4.722	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1	1787615352	WPBXDWOBDRQPOW-OAHLLOKOSA-N	421.379	4.732	50	20	HJGD	
Cc1ccc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C(C)(C)CCl)C4)sc2c1	1801082127	VAVLUVFETLITSQ-BJWYYQGGSA-N	418.990	4.727	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C)[nH]n1	1815324798	XUKCRHVTAAGKRB-WMZOPIPTSA-N	420.916	4.571	50	20	HJGD	
Cc1ccc(F)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824008978	JEEAQAFQWVIRCW-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2F)CC1	1830552622	RQLBKQBHCFGXHW-CTNGQTDRSA-N	422.972	4.775	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1	206948876	LXBAXQZQXZKOHJ-QCYAWUEASA-N	407.473	4.922	50	20	HJGD	
CSc1cccc(N(C)C(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	726151830	NLMHMDKCZQPLMX-SRKIZSPNSA-N	409.555	4.576	50	20	HJGD	
Cc1ccc(-c2nnc(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)o2)c(C)c1	727268206	KGIWTJCFQOWPOT-HKWRFOASSA-N	420.519	4.968	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2csc(-c3ccccc3Cl)n2)c1	727493423	PBKNSPIXIGYPAH-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)C(C)(C)c2ccccc2)c1C	728002715	GLJFMPBMBSKMDQ-SPCJUUJZSA-N	407.558	4.702	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1	728213909	GROILCZMZWSTAJ-UHFFFAOYSA-N	423.538	4.542	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)c(-c2ccccc2)n1	728858284	LZHUPNQYSSQLLC-GHRIWEEISA-N	424.489	4.619	50	20	HJGD	
CCCN(C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@@H](C)c1cc2ccccc2o1	731221478	BHZRLBZPETWNHR-KRWDZBQOSA-N	407.514	4.924	50	20	HJGD	
O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)NNc1nc(-c2ccncc2)no1	732065354	BYUFMPKAXYMAPD-SOFGYWHQSA-N	423.885	4.670	50	20	HJGD	
Cc1c([C@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C(C)C)oc2ccccc12	732704911	JPYULPFMAWZRFG-HXUWFJFHSA-N	404.470	4.564	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)N(C)c2ccccc2)ccc1OCc1cccs1	732804313	HHKVBRNEELDNQD-QGOAFFKASA-N	404.491	4.906	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(c2ccc(F)cc2Cl)C(C)C)c1C	735634955	KSBUCNMOZKYBII-WQRHYEAKSA-N	417.912	4.892	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2cc(Cl)ccc2[N+](=O)[O-])cc1	739426873	WONCYRPKFVEHDH-YBEGLDIGSA-N	421.844	4.596	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2cccc(C(F)(F)F)n2)c(C)n1CCC(C)C	740127992	IFBZEKWKLZUMRV-BOPFTXTBSA-N	419.451	4.615	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)c1cnc(C)nc1C	741453722	UOAKBZOBDCJMQN-UHFFFAOYSA-N	424.504	4.980	50	20	HJGD	
CC(C)n1cc(Br)cc1C(=O)NNc1ccnc2cc(Cl)ccc12	743297082	KFRPNAMAALLLIE-UHFFFAOYSA-N	407.699	4.790	50	20	HJGD	
COc1cccc(OC)c1C(=O)NNc1c(Cl)cc(Br)cc1Cl	743719292	ZACVWEJHONDHRW-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NNc3ccc(Cl)nc3)s2)cc1	745807350	AMOQWUNKCAXQNO-CYBMUJFWSA-N	401.923	4.863	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1ccc2ccccc2c1)[C@H](C)c1ccccc1OC	746213354	VBSHIDWKYFNGJW-QGZVFWFLSA-N	405.498	4.676	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1	747875485	SAWZFCHLFPBKKX-YDRQLGOLSA-N	409.829	4.610	50	20	HJGD	
Cc1noc(C)c1COc1ccccc1C(=O)NNc1ccc(Cl)cc1Cl	748018242	LIKUWNSGFQCWJY-UHFFFAOYSA-N	406.269	4.934	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c1C	748648267	DWVYETGFWRMGIN-QNGOZBTKSA-N	418.541	4.605	50	20	HJGD	
Cc1ccccc1[C@H](NC(=O)NNC(=O)c1ccc(Br)s1)C(C)(C)C	751102154	GPOSSILOPMTAQM-HNNXBMFYSA-N	424.364	4.550	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cc(N(C)C)cc2C)c1C	752856477	KZLCOFXIYRQIKP-UZQMFHLOSA-N	408.546	4.541	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1Cl	753302038	HTDAAPXVDSVTRE-UHFFFAOYSA-N	419.897	4.883	50	20	HJGD	
Cc1noc(C2CC2)c1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	753483613	JLKRLQJVBMWWNO-WQRHYEAKSA-N	404.445	4.953	50	20	HJGD	
O=C(NN=Cc1sc(Cl)nc1Cl)c1ccc(Br)cc1Cl	755700915	MIKUYSXWFZMSHD-UHFFFAOYSA-N	413.511	4.630	50	20	HJGD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757425512	OHDDKQTWZMEMEH-NRFANRHFSA-N	402.406	4.618	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)N[C@H]1CCC(F)(F)C1	764376829	PDHRFWWIWDHVDO-ZETCQYMHSA-N	403.054	4.570	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)cc1	765062404	XCDXATBHCMVYTQ-FJSNCCPHSA-N	402.498	4.800	50	20	HJGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1cccc(OCc2ccccn2)c1	767035784	NUSYGMSXXDZKSQ-RDTXWAMCSA-N	405.336	4.647	50	20	HJGD	
Cc1nc(O)c(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1-c1ccccc1	768009161	MHYGMIGHTRSTQQ-UHFFFAOYSA-N	406.244	4.965	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(Br)c(Cl)c1F	768180599	NRLYSKGGANBTGM-UHFFFAOYSA-N	408.658	4.855	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1cccc(OCc2cscn2)c1	769992743	FQJOZSSEYKQAEV-UHFFFAOYSA-N	408.405	4.890	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3c(F)cccc3Cl)c2C(F)(F)F)cc1	770198526	VQHSDYACQBOHAD-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1NCc1cnc(N2CCCC2)nc1	770514485	SLYYGZWZGNKPAQ-OAHLLOKOSA-N	402.873	4.908	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)cc1	775607086	VFRJLHQTKRVSNP-UHFFFAOYSA-N	411.384	4.596	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1SC(F)(F)F	783370950	AKEGLSQJJRDANH-UHFFFAOYSA-N	424.231	4.687	50	20	HJGD	
C[C@H]1CCC[C@@H](C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783462905	KTBYKVNSFTXUJN-WDEREUQCSA-N	407.426	4.975	50	20	HJGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)c1	783929482	VIBYKLLHHAKUPB-UHFFFAOYSA-N	422.488	4.806	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cnc(Br)c(OC)c1	788431786	VTKSGFOZFPDPKI-UHFFFAOYSA-N	420.332	4.803	50	20	HJGD	
CC(C)N(C)c1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cn1	790208797	LCOVLPCQOYSHPU-GDNBJRDFSA-N	405.527	4.579	50	20	HJGD	
N#C/C(=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1cnc2ccccc2n1	790230490	BSPQCAYVUFTNGO-NTEUORMPSA-N	402.255	4.847	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1F	791718365	AFTZKSJZEACFAN-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
CCn1ccc(CN(C)C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	792302407	QNFBFKZAWSNACR-UHFFFAOYSA-N	411.396	4.763	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(/C#N)c1nc(-c2ccc(C#N)cc2)cs1	797399204	VGAHGPUVHNMRSV-PDGQHHTCSA-N	409.474	4.940	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C	798309951	GVXTZNDFNRBAQR-UHFFFAOYSA-N	419.268	4.732	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C(F)(F)F)s2)cn1	800791252	JWFFEPVPUCBCPZ-WQLSENKSSA-N	402.401	4.713	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cccc(C(F)F)c1	801503598	JVHSZNRUPDYWGP-UHFFFAOYSA-N	420.051	4.906	50	20	HJGD	
Cc1c(C(=O)NNc2cc([N+](=O)[O-])ccc2Br)sc2cc(F)ccc12	807480396	AKVJJTGPOLGFGO-UHFFFAOYSA-N	424.251	4.776	50	20	HJGD	
CC(C)(C(=O)NNc1cc(F)c(F)cc1F)c1csc(-c2ccccc2F)n1	815856606	UILVOLBVXTZKSQ-UHFFFAOYSA-N	409.408	4.787	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC)c2OC(F)F)cc1	915847458	XQWJKBCYVVVEPU-QINSGFPZSA-N	402.397	4.631	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c2ccccc12	915984942	CZMUYPXAHKVTAD-ATVHPVEESA-N	412.474	4.913	50	20	HJGD	
COc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)ccc1NC(C)=O	916087875	ZTCWNLOWBYDSCE-UDWIEESQSA-N	422.529	4.664	50	20	HJGD	
CCCc1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2F)c2cccs2)cc1	916195716	XUWCHMUZHHNKIY-HXUWFJFHSA-N	411.502	4.573	50	20	HJGD	
O=C(NN=Cc1ccc2ncccc2c1)c1cc(-c2ccncc2)nc2ccccc12	916284430	CVUAAKQHTKADAT-UHFFFAOYSA-N	403.445	4.609	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1Sc1ccccc1	917214032	HGQRZCHZBSGBCY-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2cccc(C(=O)O)c2)c1)c1cnc2ccccc2n1	1116760820	RKEFVYLVIAVCDC-RGVLZGJSSA-N	407.429	4.971	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)CC1c2ccccc2Oc2ccccc21)c1ccccc1	1318425865	KNBSAVBFSIOYGX-GOSISDBHSA-N	400.478	4.656	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3nnc(-c4ccccc4)o3)o2)c1C	1324134816	PMDZNNRQKXVWLM-LDADJPATSA-N	400.442	4.679	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3)cc2)CCC1	1787722841	HOFSCHOCCXSORL-FQEVSTJZSA-N	414.933	4.607	50	20	HJGD	
O=C(CCc1ccccc1F)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791607242	QHMANCNCYBYCQE-UHFFFAOYSA-N	423.315	4.696	50	20	HJGD	
CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](Cl)CC)[nH]n2)cc1	1820644851	WIHBERDUDBKSHM-HKUYNNGSSA-N	416.953	4.686	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1	1824014659	GQIRKCCICAXZIL-CVDCTZTESA-N	409.014	4.618	50	20	HJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNC(=S)Nc3cccc(C)c3C)c2c1	6967069	CDMFTRMIQCLJMC-UHFFFAOYSA-N	404.539	4.669	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(C)cc2C)c1C	22032091	JHMBDPNLMKNAIX-FYJGNVAPSA-N	407.514	4.611	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1C	141487830	BXRVYFROMMMUTC-VWOYCULZSA-N	417.513	4.788	50	20	HJGD	
O=C(Nc1ccc(F)cc1)C1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	726167863	CCUNBYGJRFPMHP-SFHVURJKSA-N	410.580	4.717	50	20	HJGD	
CCN(Cc1ccncc1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	727376698	RJOOEGVXOBISDL-KGENOOAVSA-N	402.473	4.584	50	20	HJGD	
COc1ccccc1[C@@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1	727831911	GVVDPRDZYABROK-DEOSSOPVSA-N	405.478	4.846	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C	727847723	RVVWPYGNWLULGZ-SJLPKXTDSA-N	414.575	4.667	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)cc1	728553167	BSMAIVUQFVKPNO-XSFVSMFZSA-N	420.509	4.639	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@H](Sc1ccccc1F)c1ccccc1	730290421	KIPFMAMCFHFXGE-JOCHJYFZSA-N	403.482	4.773	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730590468	NFKIOWCCXOIWHJ-RTBURBONSA-N	413.304	4.640	50	20	HJGD	
CO[C@@H](CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(F)(F)F	733618930	OVFUOUFUHKIZCI-UWVGGRQHSA-N	410.767	4.605	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCCCC[C@@H]2c2ccco2)c1C	736526923	UHFDRCDLOARRRS-OLOXMFFMSA-N	409.530	4.956	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1NC(=O)NC(C)(C)C	740815120	OVQQNJGMSUVINU-UHFFFAOYSA-N	408.424	4.691	50	20	HJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1c(F)cc(F)cc1Br	741979794	IMUQRERLLLRQBK-UHFFFAOYSA-N	419.653	4.925	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nc2ccc(Br)cc2[nH]1	742891495	KUMSYWGMLIQGTI-LLVKDONJSA-N	400.367	4.978	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)cc1	743423511	RWDDDHOSPKBMGJ-GMAHTHKFSA-N	422.525	4.585	50	20	HJGD	
CC[C@H](C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	743960150	AEJAGXAYPCNFMS-USBNGQNGSA-N	410.889	4.785	50	20	HJGD	
C[C@@H](CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1	745771389	MIZMSRRREGXTRJ-INIZCTEOSA-N	406.461	4.632	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746895844	KNUJIADVIZMQDH-UHFFFAOYSA-N	420.778	4.951	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(C2CC2)nc2ccc(F)cc12	748202382	WAMZQCBWVVWEKB-UHFFFAOYSA-N	418.241	4.910	50	20	HJGD	
CCC[C@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccc(Cl)c(Cl)c1	750323106	RQUZAUFDXHBKCS-SFHVURJKSA-N	408.329	4.798	50	20	HJGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	750798287	BPWPJIPAYQXQJD-GVDBMIGSSA-N	416.653	4.852	50	20	HJGD	
CCC(CC)CN(CC)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	751330196	DVKOVYVWPVVWLT-RCCKNPSSSA-N	403.530	4.655	50	20	HJGD	
CCCCc1ccc([C@@H](NC(=O)NNC(=O)c2ccc(C)o2)c2cccs2)cc1	752836768	KLBSWRYLHLDHNV-HXUWFJFHSA-N	411.527	4.726	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cnc(-c2ccccc2Cl)s1	755856512	XWDGDVAGQQMZPS-UHFFFAOYSA-N	404.826	4.696	50	20	HJGD	
O=C(NN=Cc1ccc(F)c2cccnc12)c1ccc(Br)cc1Cl	759195614	PFLBZRPYCCYSIU-UHFFFAOYSA-N	406.642	4.554	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	761591306	LPOCUEMDODESMN-UHFFFAOYSA-N	411.380	4.689	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F	764891982	PZIYQZSTROVZKP-VIZOYTHASA-N	420.343	4.643	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1ccc2oc(C3CC3)nc2c1	771105551	ZCIDZKQELDAVDR-UHFFFAOYSA-N	405.227	4.755	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(Oc2cccc(Br)c2)nc1	771699990	AQMPMRLUCVSRJN-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1cc(NCc2ccccc2)nc2ccccc12	774848661	BZAUTIVFOAASMO-UHFFFAOYSA-N	412.497	4.517	50	20	HJGD	
CCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ccccc2OC(F)(F)F)c1	779402259	MTCTZJFKPREGOM-UHFFFAOYSA-N	416.787	4.736	50	20	HJGD	
O=C(NN=C1CCN(CCC(F)(F)F)CC1)c1ccc(-c2ccc(F)cc2)s1	779767712	OVWVHSOFSMNHKE-UHFFFAOYSA-N	413.440	4.688	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)C3CCCC3)cc2OC)cc1	781554871	ABCJWAODDAJUEI-FYJGNVAPSA-N	419.477	4.727	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	785347543	YKIDOOTUGOETNN-HWLQVLAGSA-N	412.445	4.956	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(I)c(Cl)cc2Cl)cc1	787866862	DFFYQARJJSLMRI-UHFFFAOYSA-N	421.065	4.663	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H]1[C@@H]1CCCO1	790408363	FTNJMNWNADWDPR-KBPBESRZSA-N	407.426	4.676	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1-n1cncn1)C(=O)c1c[nH]c2cc(Cl)ccc12	794935725	ANDMYGVJUXUOLD-ACAGNQJTSA-N	408.248	4.845	50	20	HJGD	
CCCN(N=Cc1csc(COc2ccc(OC)cc2)n1)C(=O)OC(C)(C)C	794998704	ULNRVBUAPNCDAQ-UHFFFAOYSA-N	405.520	4.712	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1csc(-c2ccc(Cl)c(Cl)c2)n1	805464659	DBRYKPZVNQQUIC-UHFFFAOYSA-N	420.325	4.931	50	20	HJGD	
COC(=O)N1CCC(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	806422280	QCJQDILOYPQUFU-UHFFFAOYSA-N	417.400	4.944	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccc(-c2noc(C(F)(F)F)n2)c1	807119844	ZVCIPOXSINIIJF-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNc1nccnc1C1CCC1	807778702	BRGCHOXULYAKKR-UHFFFAOYSA-N	423.520	4.954	50	20	HJGD	
COc1ccc(C2(CNC(=O)NNc3c(C)cccc3C(C)C)CCOCC2)cc1	813044563	IVOMHUJWKUDMQZ-UHFFFAOYSA-N	411.546	4.502	50	20	HJGD	
O=C(NN=C1CC(C(=O)O)C1)c1ccc(COc2ccccc2-c2ccccc2)cc1	814705878	PXLWJAGHYGVIEY-UHFFFAOYSA-N	414.461	4.513	50	20	HJGD	
COc1ccccc1C1(C(=O)NNC(=O)c2c(Cl)cccc2Cl)CCCCC1	815336712	MDJOQVZWNLSBEH-UHFFFAOYSA-N	421.324	4.665	50	20	HJGD	
CCC(C)(C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	852999004	XQRNFKURXGKLGB-WRDGEJPTSA-N	413.562	4.754	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nnc(C3CC3)s2)c(C)n1-c1ccc(F)cc1	862353762	ZHJJWVLIGANKPZ-YBEGLDIGSA-N	407.474	4.508	50	20	HJGD	
CCOC(=O)N1CCC(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	891296950	NJFGVEKAKJXEJF-OAHLLOKOSA-N	424.872	4.713	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C	914485719	YZLZRRILSIOYEI-PXLXIMEGSA-N	404.558	4.679	50	20	HJGD	
CC(C)CCCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	914506362	WFHZVBUQWXCIRK-AQTBWJFISA-N	409.921	4.577	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)NCCC)c2)c1C	915870547	QYIZDBIXPUQGDV-STZFKDTASA-N	406.530	4.591	50	20	HJGD	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	916488344	HSQMYTXCJVWRKB-OAHLLOKOSA-N	415.559	4.509	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccnc2-n2cccn2)c(C)n1C1CCCCC1	918594276	LQGBHMXPQDVWMD-HKWRFOASSA-N	414.513	4.737	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2c(-c3ccccc3)nc3sccn23)n1	920399338	TVNCDBQIOXGEGF-UVTDQMKNSA-N	406.492	4.760	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccccc3)s2)cc1	1348985330	KHEWEWRHUSKQRU-UHFFFAOYSA-N	411.552	4.834	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)o3)cc2)CCC1	1786492643	VNLDHNCEYUEOAY-INIZCTEOSA-N	419.319	4.509	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)[C@H](Cl)COC)CCC3)cc2)CC1	1791463958	CEYNCMFAPQLNLR-MBOZVWFJSA-N	420.981	4.591	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)cccc2C)[nH]n1	1815321751	GLOKBKFZNWZACC-FUHWJXTLSA-N	416.953	4.740	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)s2)CC1	1824612343	YGXXKAOFENUXSZ-CVEARBPZSA-N	414.974	4.528	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NC2CC2)ccc1OCc1ccc(Cl)cc1Cl	59224680	QBZXIDDWTMCEOY-NVNXTCNLSA-N	417.292	4.767	50	20	HJGD	
COc1cc([N+](=O)[O-])c(C(=O)NN(Cc2ccccc2)c2ccccc2)cc1SC	112530257	PRUMPGVMUVKNNK-UHFFFAOYSA-N	423.494	4.677	50	20	HJGD	
Cc1cc2nc(-c3ccccc3)cc(C(=O)NNC(=O)NC3CCCCC3)c2cc1C	728511405	MUSOKJFWKUDRDE-UHFFFAOYSA-N	416.525	4.795	50	20	HJGD	
Cc1cc(NNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)nc(C)n1	736711667	DNBKKYCXPURUAK-UHFFFAOYSA-N	421.451	4.596	50	20	HJGD	
O=C(NC[C@H](O)c1ccsc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	740435459	XRBOXGQIMCVYOQ-AAEUAGOBSA-N	410.870	4.823	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c3ccccn3)c2C)cc1	743655257	PAUVAPOXQCPDDZ-QTKYHAHDSA-N	414.509	4.624	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c1	743821755	ZGXNHIKWQZNVJJ-AWEZNQCLSA-N	409.477	4.834	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1csc(-c2c(F)cccc2F)n1	748019969	CAZCVWZAGMJZCN-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
Cc1cc(NNC(=O)C2(c3ccccc3Cl)CCOCC2)ccc1Br	748602165	KFVQAAPOSUJTLZ-UHFFFAOYSA-N	423.738	4.602	50	20	HJGD	
CCc1ccc(-c2nc(CC(=O)NNc3ccc(OC(F)F)cc3)cs2)cc1	748643897	SHPSZRUSGNGEAJ-UHFFFAOYSA-N	403.454	4.660	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1c(C)nc2cc(C)nn2c1C	748666766	GXDAQOLDHCTYTG-UHFFFAOYSA-N	421.570	4.924	50	20	HJGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748701545	KQRAYSVYEMTVRI-UHFFFAOYSA-N	421.444	4.740	50	20	HJGD	
CCN(Cc1ccccn1)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	752472702	WMWQWDJWOLCTDZ-ZHZULCJRSA-N	402.473	4.584	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ncnc4ccsc34)c3ccccc3n2)cc1	766672822	BCLZMRQHJHQKCW-UHFFFAOYSA-N	411.490	4.972	50	20	HJGD	
CC(C)(C)OC(=O)NCc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)o1	767406236	ABQXHECGMHSLLP-UHFFFAOYSA-N	418.252	4.507	50	20	HJGD	
Cc1ccccc1-n1nc(C)c2cc(C(=O)NNc3cc(F)c(F)c(F)c3)sc21	768188475	WLVIWCLCPPXFHT-UHFFFAOYSA-N	416.428	4.878	50	20	HJGD	
CC(C)Cn1ccc2c(C(=O)NNc3ccc(OCC(F)(F)F)cc3)cccc21	772426941	JFUBXPQTTKHKNA-UHFFFAOYSA-N	405.420	4.995	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3ncc(Cl)cc3Cl)c(C(C)(C)C)n2)cc1	775276138	QKJZKAYNXWWRCH-UHFFFAOYSA-N	418.328	4.937	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1cccnc1OCc1ccccc1	775526828	LWOCJDJSOKOIGI-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(Br)c2)cc1OC	775631514	SPXCNEHVKAMWBL-GHXNOFRVSA-N	421.678	4.665	50	20	HJGD	
O=C(O)CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776693259	NVDMDDXQDWFHGJ-NSHDSACASA-N	423.425	4.752	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cccc(Br)c2OC(F)F)c1	776725492	MNKSYGNJVHBBPU-WQLSENKSSA-N	423.213	4.605	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C	777482623	NSRNLPFPSGHOLY-JLYLLQBASA-N	424.545	4.555	50	20	HJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3ccccc3OC(F)(F)F)c(C)c2c1	779208498	ABPNIIYNVPAIDL-UHFFFAOYSA-N	420.387	4.918	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)O[C@@H]2C=CCCC2)c(-c2ccc(Cl)cc2)n1	781869284	QGSSQRHPNAMUBO-MBGNVJMVSA-N	406.873	4.676	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC(Cn3ccnn3)CC2)cc1	788021143	LOWTWXHTBBIKAL-UHFFFAOYSA-N	400.643	4.712	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN[C@@]2(CO)CCOc3ccccc32)cc1	792880551	GCKLNOIXYGQELI-XMMPIXPASA-N	413.634	4.968	50	20	HJGD	
C[C@@H](Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C(=O)O	794689337	AFFMJWUQPMMEQZ-FNHQQPGVSA-N	401.447	4.598	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1Br	797356733	CPMRMQRWMDKMMN-UHFFFAOYSA-N	424.648	4.772	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC=C(c3ccccc3)C2)c(C)n1C[C@H]1CCCO1	803678676	HDLXEZVAIZPLBO-JIOFHBDDSA-N	415.537	4.507	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1C	812721441	SMZOJEFJRCTNIW-UHFFFAOYSA-N	415.449	4.593	50	20	HJGD	
CC(C)(C)n1cc(NC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1	814652451	ZLUMLLZPRAAMSW-UHFFFAOYSA-N	409.334	4.824	50	20	HJGD	
CSC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	815754790	YPMMFKZFXDJECP-LLVKDONJSA-N	418.453	4.884	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccoc1Br	817014598	PLZNYYKEXDPFFA-UHFFFAOYSA-N	417.103	4.837	50	20	HJGD	
CCCC(C)=NNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12	916274663	QWTUVTYUCLBYMC-UHFFFAOYSA-N	421.497	4.833	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OCC#N)c3)c2C)cc1	916410714	CDVOLZWKAPMBMI-STZFKDTASA-N	410.477	4.851	50	20	HJGD	
COCCOCc1cccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	916688211	QFNSYKBIMQYUEP-UHFFFAOYSA-N	405.498	4.593	50	20	HJGD	
CC(C)OC(=O)/C(C#N)=C\c1c(-c2ccc(Br)s2)nc2ccccn12	917621940	LGFNCHRKHGCPDJ-XFXZXTDPSA-N	416.300	4.684	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4ncccc4[nH]3)CCC2)cc1	1786446459	FGSMRBONGAFSOK-QGZVFWFLSA-N	424.932	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4cn3)cc2)CCC1	1790832747	WEWBKWAPWRNTCX-KRWDZBQOSA-N	411.889	4.593	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)C34CCC(CC3)CC4)CC2)C1	1806163351	HHZZZFHROXPNBV-FVRICEFQSA-N	409.014	4.596	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)c1C	45252169	AJHOBUDPBWEMRE-VCHYOVAHSA-N	418.415	4.867	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)c(OC)c3OC)n2)cc1	63278889	LYUVRGXCJIXDMX-LFIBNONCSA-N	408.479	4.909	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccccc1OCCOc1ccccc1	68773736	UYSVRBHCXDRIRX-UHFFFAOYSA-N	416.399	4.920	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccc(F)cc2)n1)c1nc(N)nc(Nc2ccccc2)n1	207525677	SXPDEQQELSXAGE-UVTDQMKNSA-N	415.457	4.524	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cs1	303482172	TWTROUBZWJCIIH-LGMDPLHJSA-N	408.527	4.526	50	20	HJGD	
COc1c(Br)cc(/C=C(\C#N)C(=O)CC(C)C)cc1Br	726118900	RYYPWQSSSNEHPP-VZUCSPMQSA-N	401.098	4.742	50	20	HJGD	
Cc1nc(-c2cccs2)sc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	727793600	USVRRCRLADPTJA-UHFFFAOYSA-N	412.323	4.562	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc(OC(F)F)c1	728433931	AHOMKEWLHJIRSL-UHFFFAOYSA-N	417.393	4.689	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)c1C	728485340	VUMWRROWOIVXOM-LDADJPATSA-N	421.526	4.588	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C[C@H](c1ccccc1)C(F)(F)F	728613647	CSQCANDRYROFMJ-MRXNPFEDSA-N	409.477	4.611	50	20	HJGD	
Cn1ccnc1SCc1cccc(C(=O)NNc2ccnc3cc(Cl)ccc23)c1	729515461	ZSYGVYCKVKOBJP-UHFFFAOYSA-N	423.929	4.671	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(Oc2ccccc2)cc1)c1cccc2ncccc12	730153675	KWJNLAUMRUPJAV-UHFFFAOYSA-N	414.490	4.659	50	20	HJGD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1ccc(CCCCl)cc1	732548253	HKALLMAHONTJOG-UHFFFAOYSA-N	422.978	4.952	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)c(C)n1C1CC1	732579199	BXSUKEMVXZPQHJ-PXNMLYILSA-N	420.494	4.520	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)nc2)sc1-c1ccc(F)cc1	732835958	DMJJHVUNAFRILD-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
Cc1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)n[nH]1	733285941	LVOAUZCVKPCODD-BKUYFWCQSA-N	409.493	4.502	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)CCSc1ccc(F)cc1)c1ccc(Cl)s1	734069023	MAFJKJHIHSUSPM-ZDUSSCGKSA-N	415.943	4.505	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1nccnc1Cl)c(C)n2C1CCCCC1	734261158	YGMOXRPHRINRKH-UHFFFAOYSA-N	413.909	4.664	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(N3CCCCCC3)c2)c1C	740801274	UEOVSTNCYACWHD-JWGURIENSA-N	420.557	4.677	50	20	HJGD	
Cc1nnc(-c2ccc(NC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)cc2)o1	741735528	HIYXEJJMOKPZLF-RGVLZGJSSA-N	403.486	4.665	50	20	HJGD	
O=C(NN=Cc1c(OC(F)F)ccc2ccccc12)c1cccc(Br)c1	741767890	OULXWKBUIRPSEG-UHFFFAOYSA-N	419.225	4.968	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)cc(C#N)n1C	742779416	RFXNPSIWWACPNT-NVNXTCNLSA-N	403.511	4.658	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H](Cc1ccccc1)c1ccccc1	743627493	BSJGMLUUBYMEEL-XMMPIXPASA-N	409.489	4.768	50	20	HJGD	
Cc1ccc(N2CCOC2=O)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	744381968	GIQJWGMHVLFWMN-JAIQZWGSSA-N	420.513	4.572	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCC(c2ccccc2)c2ccccc2)c(Cl)c1	745299370	HDIRIJNEWBNTGC-UHFFFAOYSA-N	422.916	4.816	50	20	HJGD	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNc1cccc([N+](=O)[O-])c1	748004216	AIVBOPDLWAKQAL-SNAWJCMRSA-N	419.281	4.789	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H]2CCCc3c2cnn3C)c(C)n1C1CCCCC1	749164055	IFUPGIOWXBWZNJ-YSSBIZNGSA-N	419.573	4.787	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H](C2OCCO2)C1	752976258	FVVKVCBIXPJPRR-NSHDSACASA-N	402.385	4.961	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc1	754321273	PJVYHIGBAHCXFG-UQRWVXEISA-N	414.509	4.672	50	20	HJGD	
Cc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(Br)n1	755379971	NFQIGCYABFZENH-UHFFFAOYSA-N	409.498	4.870	50	20	HJGD	
CCn1nc(C)c(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1C	762671266	NEVYPVYCDIDNFY-UHFFFAOYSA-N	412.384	4.754	50	20	HJGD	
COc1c(Br)cc(Cl)cc1NC(=O)NNc1ccc(F)c(F)c1F	770027726	XJYJJHAFSUZVFS-UHFFFAOYSA-N	424.604	4.677	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)C(=O)Nc1c(C)cc(C)cc1C	774121381	QSEUMOUDQWGQAI-BOPFTXTBSA-N	416.930	4.605	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)C(=O)Nc1c(C)cc(C)cc1C	774121389	QSEUMOUDQWGQAI-GZTJUZNOSA-N	416.930	4.605	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1cccc(C(=O)N2CCc3ccccc32)c1	775586130	NJPZXNPCEFIYRW-UHFFFAOYSA-N	406.873	4.692	50	20	HJGD	
COC(=O)CCSc1cccc(NC(=O)NNc2cccc(C(F)(F)F)c2)c1	775693077	PYTJAWPERUVTAH-UHFFFAOYSA-N	413.421	4.509	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NNc1cc(Cl)ccn1	778446416	DOSRUVBAPICMBO-UHFFFAOYSA-N	413.717	4.851	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1ccccc1OC(F)(F)F	779200897	CJANGICDXLNLPZ-UHFFFAOYSA-N	418.419	4.825	50	20	HJGD	
O=C(NNc1ncncc1Cl)[C@H](Sc1ccccc1Cl)c1ccccc1	781829938	NOHOKSCDWAYXER-MRXNPFEDSA-N	405.310	4.760	50	20	HJGD	
O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1sccc1Cl	782136570	UPYBGMMJJKRWIL-UHFFFAOYSA-N	400.887	4.510	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1	787146576	ZSAJRTRCDDEGDI-DMVFFGLYSA-N	417.490	4.713	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(-c3ccncc3)ccc2OC)cc1	787153505	DYKZMNUSTZWOGC-JVDNRXPZSA-N	413.477	4.550	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	787325899	NHRVFTILYUKTSX-UIRWJGRMSA-N	419.481	4.756	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ncccc2C)cc1C	791215356	QPTBAYMLRNYYQB-UHFFFAOYSA-N	411.509	4.676	50	20	HJGD	
Cc1ccc(SC2CCCC2)c(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)c1	791277273	JRTIHUVCZGAUMP-UHFFFAOYSA-N	412.559	4.880	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1C(F)(F)F)c1ccc2ccccc2n1	794447115	HEJYTOPSYMPOES-UHFFFAOYSA-N	422.204	4.780	50	20	HJGD	
CC(C)(C)OC(=O)N(CC=NNC(=O)c1c(Cl)cccc1Cl)C(C)(C)C	794508585	PLVNNOJTOVMRJT-UHFFFAOYSA-N	402.322	4.745	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Nc1cccc2cccnc12	796587100	FWWMJMVITUSZGR-UHFFFAOYSA-N	424.386	4.859	50	20	HJGD	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802022157	CDUPHVXVRHHAEX-UHFFFAOYSA-N	424.888	4.554	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc1	802137984	YFPQICDANAUOCO-UYRXBGFRSA-N	416.481	4.728	50	20	HJGD	
COc1ccc(-c2n[nH]cc2C=NNC(=O)c2cc3c(s2)CCCCCC3)cc1	812436582	JGBGVRQOPJUNRF-UHFFFAOYSA-N	408.527	4.570	50	20	HJGD	
CCc1sc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1Br	815855284	LYAJFGJHDYSJKI-UHFFFAOYSA-N	418.238	4.720	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3cccc(Cl)c3)no2)c(C(F)(F)F)c1	816702564	RZFPHIKQBWPIRH-UHFFFAOYSA-N	411.767	4.779	50	20	HJGD	
O=C(/C=C\c1ccco1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	860830743	IIVCVEWZXDCLPR-XFXZXTDPSA-N	412.898	4.700	50	20	HJGD	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NNc4ccccc4Cl)cc3C2=O)c1	912643226	JXSILSQYZNLTJF-UHFFFAOYSA-N	419.868	4.514	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCCN(C)CC(F)(F)F)c(C)n1C1CCCCC1	918576754	FVQCTZLGGIWIAR-CPNJWEJPSA-N	424.511	4.518	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)N2CC=C(C#N)CC2)cc1	1116574789	QUUZTMLQPXITCU-UHFFFAOYSA-N	402.885	4.797	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccnc2)c(C)n1-c1cccc(C(F)(F)F)c1	1317953019	OFNXRDBXAOKQJP-GRSHGNNSSA-N	424.426	4.731	50	20	HJGD	
O=C(NN=Cc1nc(-c2ccccc2)c[nH]1)c1cc(-c2ccco2)nc2ccccc12	1318464513	WQDKYSVOWNCMKQ-UHFFFAOYSA-N	407.433	4.649	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)nn1	1324809665	DKXPUWBXVDFLNE-UHFFFAOYSA-N	420.904	4.523	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3cnc(C)s3)CCC2)cc1	1786446487	KPVXWOFIJIKRBE-SFHVURJKSA-N	419.978	4.536	50	20	HJGD	
C[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)/C=C/C3CCCC3)CCC2)cc1	1791438125	XFSMKJJTYKBRNU-BLMSOEDDSA-N	419.363	4.650	50	20	HJGD	
CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)C(C)(C)CCl)C2)CC1)c1ccccc1	1805259673	ZWEOINGBYIGDEM-HXUWFJFHSA-N	419.009	4.676	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)Cc3ccccc3)CC2)C1	1806164449	XXELNGLZVCXSBN-TZIWHRDSSA-N	419.009	4.504	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)CC1	1830302526	BXQUDDDSHIFIKT-OALUTQOASA-N	422.013	4.563	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2)c(C)n1CCC(C)C	5875364	ZHGWACLHGFVMHA-ORTNRGLGSA-N	407.514	4.628	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(C)n1Cc1ccccc1	27099960	BHXVLBBWRQULHE-UHFFFAOYSA-N	416.308	4.535	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNC(=O)CCCc1ccccc1	727715501	QUOCFDSQTBKRCS-UHFFFAOYSA-N	419.959	4.617	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2ccc(F)c(F)c2F)n1	728715480	JAWNGCNAKCYKHR-UHFFFAOYSA-N	409.458	4.918	50	20	HJGD	
O=C(CCCOc1ccccc1F)NNc1ccc(Br)cc1Cl	729275425	JBUYDJFDCURYCU-UHFFFAOYSA-N	401.663	4.544	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNC(=S)Nc3cc(C)ccc3C)c(F)c2)cc1	730292808	GGWMWOXADZEJGK-UHFFFAOYSA-N	423.513	4.750	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc(Br)s1	730437822	VIEZZLQNNSZRQQ-KPKJPENVSA-N	402.248	4.625	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(Br)nc3)sc2C)cc1	732836712	NVKPCRYKXQUEOK-UHFFFAOYSA-N	418.316	4.647	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c(C)n1C1CCCCC1	741644806	GWKDWLXWNCEROJ-QDBNLKHRSA-N	409.574	4.837	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CCSc2ccccc21)c1ccc(-c2ccc(F)cc2)s1	742035847	CCAKLNISDUNRKX-MRXNPFEDSA-N	412.511	4.595	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nc2ccc(Br)cc2[nH]1	742891497	KUMSYWGMLIQGTI-NSHDSACASA-N	400.367	4.978	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(-c3ccccc3C)no2)cc1	746058966	INDYLGPDKYMYDE-CQUHBBLWSA-N	403.438	4.655	50	20	HJGD	
O=C(CC1CCCCC1)NC1CCC(C(=O)NNc2cccc3c2CCCC3)CC1	748586017	SIDGVGNOFMSODS-UHFFFAOYSA-N	411.590	4.654	50	20	HJGD	
CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	750264846	MCLMSXQXTQIYEA-SWLSCSKDSA-N	408.873	4.539	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccccc1C(=O)c1ccccc1	754143588	ORVDMAJBWPZXBJ-UHFFFAOYSA-N	402.347	4.832	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H](c1ccccc1)c1cccc(F)c1	755179570	VGBFTLVNGIOWAO-HSZRJFAPSA-N	413.452	4.713	50	20	HJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	755408188	XPQDKCCZQSDSID-ZROIWOOFSA-N	420.271	4.515	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cc(-c2ccccn2)nc2ccccc12	755859830	MWCGYVIKSFGBSJ-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1cccc(Cl)c1SCC(F)F	756676052	LYEJJDQRMSBWLV-UHFFFAOYSA-N	424.860	4.645	50	20	HJGD	
Cc1ccc(-c2nnn(CC(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)n2)cc1	762517246	DQBFXCYHIIOGIL-UHFFFAOYSA-N	419.379	4.945	50	20	HJGD	
CCC(=O)N[C@@H](CCSC)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762724345	PWQTWZNMZFGGSY-LBPRGKRZSA-N	406.442	4.930	50	20	HJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1ccc(Br)c(F)c1	771679027	OLJYKJOCZBYAQF-UHFFFAOYSA-N	401.663	4.786	50	20	HJGD	
Cc1ccncc1[C@@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773463308	VPHZBIYKEJGUIW-LLVKDONJSA-N	409.380	4.863	50	20	HJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2ncc(Cl)cc2Cl)on1	775273384	IMTTUHDMBMMDFT-UHFFFAOYSA-N	409.298	4.734	50	20	HJGD	
COc1cc(C)ccc1Oc1ccc(NC(=O)NNc2ccc3ccccc3n2)cn1	775506562	BFIIRHVSPNMPHD-UHFFFAOYSA-N	415.453	4.888	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1	775556426	MFXNPYMPYNTWDG-MRXNPFEDSA-N	412.877	4.595	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccccc1C(=O)c1cccs1	779208827	CKQCGDRUOOJUJK-UHFFFAOYSA-N	406.385	4.635	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981528	BLPZVQWUYATRSD-SECBINFHSA-N	406.398	4.988	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc2ccccc2n1CC(F)(F)F	787455394	NGQHGUTYCYWTQA-UHFFFAOYSA-N	412.209	4.723	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(Br)c2)c1C	789934089	ALYWCWMSHWPUPR-VEJKBTLKSA-N	417.303	4.587	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1-n1cncn1)C(=O)c1ccc(Br)s1	794943553	ZAHQULCPYDCLOU-VZUCSPMQSA-N	419.691	4.535	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cc2ccsc2[nH]1	801504879	WOEFODCSLADIBM-UHFFFAOYSA-N	415.110	4.511	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1	804197343	ALGRFCUCBNJVFQ-LVSMMTLPSA-N	400.400	4.724	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccccc1-c1ncc(-c2ccccc2)o1	805468877	IZCQPLABKKIJNB-UHFFFAOYSA-N	411.465	4.823	50	20	HJGD	
CC[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H](C)S1(=O)=O	806422429	RSWDSFYYMBWMPP-JQWIXIFHSA-N	422.441	4.773	50	20	HJGD	
CCC[C@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccccn1	806827407	TUMRNSHFGQWGNZ-LBPRGKRZSA-N	416.241	4.890	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812245802	YCKWQHSAGDVVBG-RIYZIHGNSA-N	414.252	4.914	50	20	HJGD	
C[C@H](C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1	817013825	FKYONEIEHQHLLV-VIFPVBQESA-N	421.297	4.879	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)cc1	817910772	FNZFZSGRYDAMTC-UHFFFAOYSA-N	407.445	4.542	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)Nc1cccc2ncccc12	853000231	HDFQONAAGJNBMX-HUUCEWRRSA-N	404.557	4.819	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](c2ccco2)N(C)C)c(C)n1C1CCCCC1	858537464	NOCGTSAKJXDEJL-FGGAIWKESA-N	408.546	4.529	50	20	HJGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1OC(F)F	915848690	MPEHOSCHYKRXQU-LCYFTJDESA-N	422.815	4.894	50	20	HJGD	
N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1nc(-c2ccncc2)cs1	916129716	WXTZBJALOIQZMT-XFFZJAGNSA-N	417.313	4.575	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OCC#N)c3)c2C)c1	916410998	LVPZLNHTUXYLEN-STZFKDTASA-N	410.477	4.851	50	20	HJGD	
O=C(CC(F)(F)F)NN=Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1	917551216	RUHZHIQEFGVMMA-UHFFFAOYSA-N	406.795	4.595	50	20	HJGD	
C[C@H](NC(=S)NNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl	1318207822	QYGKYIKAPHHBJH-VIFPVBQESA-N	402.734	4.517	50	20	HJGD	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(C(C)(C)C)nn2)c1	1322143816	GCMWXBVELPERIR-UHFFFAOYSA-N	417.941	4.559	50	20	HJGD	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](Br)CC)cc2)CCC1	1791363654	KTRAZMVXLCTTKW-PBHICJAKSA-N	407.352	4.506	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)ccc3F)cc2)CCC1	1792107071	NRDIBSBLYQOQHR-GOSISDBHSA-N	418.896	4.599	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)Nc1nc2ccccc2nc1Cl	28791361	SHVGSWOCFHLQPJ-FMIVXFBMSA-N	418.762	4.727	50	20	HJGD	
Cc1cccc(C)c1NC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	208160132	MBQNZCOTPHBFKE-XKZIYDEJSA-N	421.541	4.857	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c(C)n1C1CCCCC1	261376316	FWXHOLVDBWTSQZ-SNXNUMJZSA-N	421.545	4.531	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2ccc(SC(C)C)cc2)cc1	727494195	DKUBFKOWWGBNOI-UHFFFAOYSA-N	403.573	4.606	50	20	HJGD	
O=C(NCc1cccc(CO)c1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	729552853	IZFOYWXPCMIKMW-HNNXBMFYSA-N	404.841	4.720	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1csc2ccccc12	730066506	KGBHYCOYYBBOSR-LBPRGKRZSA-N	419.959	4.738	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4cc(F)c(F)cc4F)cc3)o2)c1	734553491	LWUIUCAAEQIBKB-UHFFFAOYSA-N	424.382	4.886	50	20	HJGD	
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NNc1c(F)cccc1F	735694849	XJBMLAGLLPFBQR-UHFFFAOYSA-N	422.410	4.642	50	20	HJGD	
CC(C)(C)OC(=O)NC1CCC(NC(=O)CCCC[C@@H]2CCSS2)CC1	739792265	TWFGWKBVALBIDW-UYSNPLJNSA-N	402.626	4.653	50	20	HJGD	
C[C@H]1CC(NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C[C@H](C)C1	740511059	XFIOLYAVVHWORP-CZIZLABSSA-N	422.900	4.785	50	20	HJGD	
C=CCN(Cc1cccc(C#N)c1)C(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	745063198	AVMHJSYOWMYFOS-BUVRLJJBSA-N	400.526	4.899	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)c2ccccc2n1	745838188	HPKWNZWWGYHMRY-OAQYLSRUSA-N	424.932	4.928	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1ccc(Br)s1)[C@H](CC)c1ccccc1	746204822	QRCBCXODLSPXMV-CQSZACIVSA-N	424.364	4.728	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(SC)c(OC)c2)c1C	746816686	FOZHEABQOAJPHD-DEDYPNTBSA-N	411.571	4.811	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1C	747128123	OQFZHEJJEQDADC-YSSBIZNGSA-N	415.541	4.970	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C(C)(C)c2ccc3c(c2)OCO3)c1C	747318198	HMVDMDAYCZYFCF-UNOMPAQXSA-N	407.514	4.544	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OC(F)F)cc2)cc(C)c1OCc1cccnc1	748656209	PJASMMLDPGERGV-UHFFFAOYSA-N	413.424	4.636	50	20	HJGD	
Cc1ccc2nc(COc3ccc(C(=O)NNc4ccc(Cl)cc4)cc3)cn2c1	749273309	JPAXYQQBDOXDMY-UHFFFAOYSA-N	406.873	4.632	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(F)(F)F	750895080	ZXSFYHKVAOFVIU-GDNBJRDFSA-N	420.387	4.581	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C[C@@H]3CCOc4ccccc43)cc12	752154190	CSHXDELJZCZJDI-INIZCTEOSA-N	416.506	4.677	50	20	HJGD	
C[C@@H]1C[C@@H]1c1cc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	756221377	HIXBWMNYRRJRNS-KCJUWKMLSA-N	410.368	4.768	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1	759311036	GYMFIZLMWDHIBQ-UHFFFAOYSA-N	422.485	4.531	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC(=O)C(C)(C)c2ccccc2)c1	759665057	FGOQJWTWTRSCSN-UHFFFAOYSA-N	418.541	4.742	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)cc1	767270811	JOGXCJIIJAXBFD-ZROIWOOFSA-N	416.355	4.896	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1	767306607	VDWCLKUUKDFJJW-QGZVFWFLSA-N	421.310	4.504	50	20	HJGD	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])c(OC)c3)o2)cc1	774559212	FZRIWWSKVHYHGT-GZTJUZNOSA-N	404.378	4.714	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2c(F)cc(Cl)cc2F)c(C)n1C[C@H]1CCCO1	775498844	CIGHHECYVSUNJM-IJZIWBRISA-N	419.859	4.761	50	20	HJGD	
COc1cccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777849149	YICPGPOOZGQTET-UHFFFAOYSA-N	403.394	4.831	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1csc(-c2ccc(F)c(F)c2)n1	780344890	VEVXILCYLOUMRJ-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2csc(Cc3cccc(F)c3)n2)cc1C(F)(F)F	780605361	UQKKCGRBPBMUEH-UHFFFAOYSA-N	420.391	4.520	50	20	HJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	782522180	AFCMMCXSURGBIE-PMEBHBLGSA-N	403.360	4.552	50	20	HJGD	
CCNC(=O)Nc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	785994843	VWDOPSDSNHBGGM-RGVLZGJSSA-N	421.545	4.756	50	20	HJGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1	789719989	KNFSKJOGUOYGFV-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
Cc1ccc(-n2c(N(C)C)nc(/C=C(\C#N)c3cnc4ccccc4n3)c2Cl)cc1	790231247	MDASMBYXIBGIEI-FOWTUZBSSA-N	414.900	4.908	50	20	HJGD	
CC(C)(C)c1ccc(Oc2ccc(C(=O)NNc3cccc(F)c3[N+](=O)[O-])cn2)cc1	790585937	KNMJLDKVVPUESQ-UHFFFAOYSA-N	424.432	4.976	50	20	HJGD	
Cc1c(Cl)cc(NC(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)cc1Cl	792441665	VYPLVLOUDBPRSX-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Nc1cccc2[nH]ccc12	806249542	WUKQWWDQQMIGOM-UHFFFAOYSA-N	412.375	4.792	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/C(C)=C/c2ccccc2COC)c1C	814187419	JDENDTXNJXQOAW-KFURHSOJSA-N	406.482	4.691	50	20	HJGD	
CCOc1ccc(NNC(=O)c2csc(-c3ccc(Br)s3)n2)cc1	817911010	HXPGRRDXPBKZBM-UHFFFAOYSA-N	424.345	4.790	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1C	818138409	FVLQZBGBQQHQSO-YBLWIXCNSA-N	415.484	4.717	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3cc(C(F)(F)F)ccn3)c(F)c2)c(F)c1	857513836	LLOWALFOVFIMNL-UHFFFAOYSA-N	423.341	4.811	50	20	HJGD	
C[C@H](Oc1cccc(Br)c1)C(=O)NN=Cc1ccc(Cl)cc1Cl	916343805	MKPRNJLVUIZKDD-JTQLQIEISA-N	416.102	4.674	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1	918002672	RRCRSKOTRFCKCC-OAQYLSRUSA-N	407.901	4.576	50	20	HJGD	
C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	918271367	XHHLLJXZBAJQRS-UVWXRNBGSA-N	408.873	4.539	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3csnn3)cc2)c1C	919987753	SOLXOZAOIARRPE-XDHOZWIPSA-N	405.527	4.969	50	20	HJGD	
CCC(CCc1ccc(Br)cc1)=NNC(=O)c1ccc(OC)c(OC)c1	921139026	DUTPEHAMASZRKQ-UHFFFAOYSA-N	419.319	4.595	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	921262559	UEPKAMUYJLEDKK-RVDMUPIBSA-N	412.287	4.805	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2cccs2)s1	1116698748	BYPUDXSUEHKNON-UHFFFAOYSA-N	424.301	4.904	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2ccc(Br)nc2)c1	1318542774	UQRDMJUBRNOUGU-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
Cc1ccc(NNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1Cl	1322577868	LIEIXSMRIZAZLN-UHFFFAOYSA-N	412.227	4.577	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1	1790492226	XBWBZGOOELXZCO-FQEVSTJZSA-N	411.373	4.937	50	20	HJGD	
Cc1cc[nH]c1C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124413	MEUBRVDCACYHSH-UHFFFAOYSA-N	422.013	4.890	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)ccc1OC	7212176	GSYPJINVXCAZAZ-CXUHLZMHSA-N	406.404	4.864	50	20	HJGD	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)c3nc(C)cs3)cc2OC)cc1	8207281	WWYFQYWYWZBPRL-LICLKQGHSA-N	406.463	4.752	50	20	HJGD	
O=C(CC[C@@H]1Cc2ccccc2NC1=O)NNc1c(Cl)cc(Cl)cc1Cl	23606933	NOGVRMIAFOPOAY-LLVKDONJSA-N	412.704	4.681	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC2(c3ccc(F)cc3)CCC2)c1C	116441458	IMAIDVBCLKZZHH-PKIWBCANSA-N	423.532	4.597	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)cc1OC	212139082	RBXSIBBWGRWBPP-ZHZULCJRSA-N	414.461	4.828	50	20	HJGD	
CCc1cc(NNC(=O)c2ccc(C3CCCCC3)cc2)nc(-c2ccccn2)n1	734357183	MRRPFCGQFCLQKY-UHFFFAOYSA-N	401.514	4.906	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(-c2ccccc2)nn1-c1ccccc1	734553770	YTYSVCWMAFWEIX-UHFFFAOYSA-N	408.383	4.714	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2cc3cc(F)ccc3o2)cc(OCC)c1OCC	741758046	XWMRDCNPOSISOS-UHFFFAOYSA-N	414.433	4.532	50	20	HJGD	
O=C(NNC(=O)N[C@@H]1CCc2cc(F)ccc21)Nc1ccc(-c2ccccc2)cc1	743561410	MPCQLFKMYVVSFY-OAQYLSRUSA-N	404.445	4.516	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3cccc(C#N)c3)c2C)cc1	743777892	ZBXIEWIASVPHLE-TTXZLZEXSA-N	424.504	4.759	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)Nc2ccc(Cl)cc2Cl)c1C	743807227	FDFFVAOEADNBLV-UHFFFAOYSA-N	403.273	4.611	50	20	HJGD	
CCOc1cc(Br)c(CC(=O)NNc2cc(C)ccc2C)cc1OCC	743973814	ORVJMVZXNWTWSJ-UHFFFAOYSA-N	421.335	4.549	50	20	HJGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NNc1ccc(OC(F)F)cc1	748649137	GPPWOLQMTBPJQA-UHFFFAOYSA-N	419.453	4.942	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)c1C	749152895	IXRPJAFHTLXXPK-UNOMPAQXSA-N	405.477	4.518	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(OC)c(O[C@H](C)CC)c2)c1C	749450850	FCPRJBSPWWIDHQ-XWAFYUISSA-N	424.497	4.784	50	20	HJGD	
C[C@H](C(=O)NNC(=O)CCSc1ccc(F)cc1)c1c(Cl)cccc1Cl	751292336	FTYBVUHPYFXJKK-NSHDSACASA-N	415.317	4.566	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)/C(C#N)=C/c1ccc(F)cc1	751877662	XQXNOXUGERFBMT-QGOAFFKASA-N	407.420	4.618	50	20	HJGD	
CO[C@H](C)c1nc(CNC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cs1	752517254	WABOCQMZRBLJFH-KLSKMWHSSA-N	414.575	4.538	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ncoc1-c1cccc(C(F)(F)F)c1	752634340	MLBWUADQCTUEEV-UHFFFAOYSA-N	413.302	4.719	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H](c1ccccc1)c1ccccn1	754531346	KMHAXQYHNYRHFF-GOSISDBHSA-N	404.367	4.655	50	20	HJGD	
CN(C)c1ccc(-c2cncc(C(=O)NNc3ccccc3C(F)(F)F)c2)cc1	760338302	NLCPOGQWPQLYAV-UHFFFAOYSA-N	400.404	4.590	50	20	HJGD	
CC(C)c1cc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)on1	762663936	CWLGKDZJLJURTE-UHFFFAOYSA-N	413.368	4.710	50	20	HJGD	
O=C(NNc1ccccc1F)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	770030815	NJITYTDWBIEOKO-JOCHJYFZSA-N	418.472	4.952	50	20	HJGD	
COc1cc(NC(=O)NNc2c(C)cccc2F)ccc1NC(=O)OC(C)(C)C	771114093	UZGNSXCBYXQMLH-UHFFFAOYSA-N	404.442	4.638	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(N4CCN(C)CC4)cc3)n2)cc1	771519550	GHMOOAIQVMINDF-HKWRFOASSA-N	416.550	4.635	50	20	HJGD	
N#C/C(=C\c1cc2ccccc2nc1N1CCOCC1)C(=O)c1ccc(F)c(Cl)c1	773163305	XRCWTJBKGVDTCW-LDADJPATSA-N	421.859	4.654	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)nc2C)c1C	773718942	CTEOMVHPBQTSLW-MHWRWJLKSA-N	401.308	4.527	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ncc(Cl)cc2Cl)cnn1-c1ccc(F)cc1	775264809	TYGXEVDVIXXVTJ-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC[C@H]2c2ncc[nH]2)c(C)n1C1CCCCC1	776469593	RDOUOEJUKFQARV-QDUHJBTASA-N	405.546	4.994	50	20	HJGD	
Cc1nc(C(=O)NNC(=S)Nc2ccccc2C(C)C)c(-c2ccccc2)s1	779192666	CXZBSPHVNSETLG-UHFFFAOYSA-N	410.568	4.873	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cnc(Cc2ccccc2F)s1	779208394	ITZQSNUHBXHGAK-UHFFFAOYSA-N	411.380	4.529	50	20	HJGD	
O=S(=O)(NCc1ccc(Cl)nc1)c1ccc(S(F)(F)(F)(F)F)cc1	782984025	PLYPOZKTTYOSJI-UHFFFAOYSA-N	408.801	4.871	50	20	HJGD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)/C(C#N)=C\c1ccc(F)cc1	785113208	YMPBMZLQHGKIBA-UVTDQMKNSA-N	420.271	4.527	50	20	HJGD	
COc1ccc2[nH]cc(C3=CCN(C(=O)/C(C#N)=C\c4ccc(F)cc4)CC3)c2c1	785262775	XHASRWGNRDVZLC-PDGQHHTCSA-N	401.441	4.538	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1cccc(NC(=O)c2ccoc2)c1	792284542	ZVBACSBJFAKLBO-UHFFFAOYSA-N	405.241	4.987	50	20	HJGD	
Cn1c(/C(C#N)=C\c2c(F)ccc(I)c2F)nc2ccccc21	794868817	BXRCLGGKKHUAOS-NTMALXAHSA-N	421.188	4.520	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(N(C)c3ccccc3)nc2)cc1	797787683	ZBKMDRKQLAXSBK-ISPGYRLHSA-N	412.493	4.642	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1cscc1C(F)(F)F	811631512	BBMONAXPSJDJHT-UHFFFAOYSA-N	401.460	4.619	50	20	HJGD	
Cc1ccccc1CN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)C1CC1	914487396	JGDQSKZXCZLGFD-CBYYHRJHSA-N	417.553	4.691	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cc2ccccc2nc1N1CCCCC1	916350689	CBRGRXDJXPTLOA-UHFFFAOYSA-N	406.917	4.571	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(F)cc1Br)c1cccc(OC(F)F)c1	916482231	PBBQPSBOQNRINF-VIFPVBQESA-N	418.213	4.577	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2csc(-c3ccc(Cl)s3)n2)c(C)c1	920210728	KBNFEDRARZYWFT-UHFFFAOYSA-N	422.988	4.773	50	20	HJGD	
CC1(C)CCc2cc(C=NNC(=O)Cc3nc(-c4ccccc4)cs3)ccc2O1	920371731	ZNGVNBOTHJYWTC-UHFFFAOYSA-N	405.523	4.607	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1C	920814525	IOOLAYMZTUOMEV-YYTSEBNKSA-N	417.553	4.898	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)c1nc(O)c2cc(Br)ccc2n1	921265435	FXIPVLQXSHHXES-YHYXMXQVSA-N	404.626	4.955	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2C)cc1	1115813257	YITPOCODZYZBDD-UHFFFAOYSA-N	410.477	4.620	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2CN2CCCC2=O)c1C	1318010401	XUKSVQVXQQSKDV-PXLXIMEGSA-N	418.541	4.573	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)cc1	1319911625	OYZVWDJZQYLEPC-LERPTODRSA-N	404.388	4.610	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(CN(C)C)o2)c(C)n1-c1cccc(C(F)(F)F)c1	1326084519	QDANVDLUFYQSAT-SXGWCWSVSA-N	415.419	4.622	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)CCC1	1788950519	WEKJVZNNRDRGPN-IBGZPJMESA-N	424.932	4.718	50	20	HJGD	
C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Br)CCC3)cc2)CC=CCC1	1791992991	ZAIODOKZVIRVFU-VQIMIIECSA-N	423.326	4.557	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl	21286463	IEORAEKGKLNYGM-UHFFFAOYSA-N	412.126	4.816	50	20	HJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC	72067717	XZNMHWPVQQYYOT-QPEQYQDCSA-N	421.280	4.955	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1	210437209	WTGCCAMQEBETBG-UQRWVXEISA-N	419.488	4.719	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccc(Oc2ccccc2)cc1	725870044	ZBSFIFWHLCLMQQ-GOSISDBHSA-N	403.482	4.503	50	20	HJGD	
COCc1c(C(=O)NNc2ccc(Br)cc2Cl)oc2ccccc12	729275744	STVKGYRXBGWAKE-UHFFFAOYSA-N	409.667	4.752	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1ccccc1OCc1cn2ccccc2n1)c1ccccc1	731930589	DKDFNGPNHGKLNI-JOCHJYFZSA-N	412.493	4.557	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C(=O)NNc3nccc4sccc34)c2Cl)cc1	734246919	NCNNNCWGKPNENP-UHFFFAOYSA-N	411.918	4.568	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NNc1c(F)cccc1F	735760469	YGAMDUTVRFYWOZ-LLVKDONJSA-N	406.433	4.923	50	20	HJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)cc1	737817902	CGPDBWNJLJGKLM-HNNXBMFYSA-N	421.463	4.853	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F	741554424	JLEGTTPPCXBAJA-JTQLQIEISA-N	419.230	4.967	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c(C)n1CC(C)C	744692559	PHMYVUJVSAQCOS-VFOSSOBBSA-N	415.541	4.731	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1	746885458	KBKVYBLGONYQNX-UHFFFAOYSA-N	409.467	4.820	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccc(Br)cc1Cl	748199970	CZKXAZQOYZFRLB-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CCN1CCc2nc3ccccc3c(C(=O)NNc3cc(Cl)ccc3Cl)c2C1	748508377	WGEZDUPNYMFGAY-UHFFFAOYSA-N	415.324	4.677	50	20	HJGD	
Nc1c(Cl)cc(NC(=O)NNc2ccc(Br)c(F)c2)cc1Cl	753057427	ZCVXMEDMZXTQJM-UHFFFAOYSA-N	408.058	4.626	50	20	HJGD	
O=C(NN=Cc1ccc(Sc2ccccc2)cc1)c1nnc(-c2ccccc2)o1	753924777	UZNHBLBTAWZTNI-UHFFFAOYSA-N	400.463	4.652	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cccc1-c1ccccn1	755160547	NGMVWBCWJHUVDN-UHFFFAOYSA-N	416.359	4.741	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1cccc(-c2nccs2)c1	756163416	DYXOZFWGHHBCGF-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NNc1cc(F)c(F)c(F)c1	757143234	YMGPCTHKDJTHLW-UHFFFAOYSA-N	414.309	4.578	50	20	HJGD	
N#CCCCn1cc(C(=O)NNc2ccccc2OC(F)(F)F)c2ccccc21	768224329	IBRPIVIZKAHRAL-UHFFFAOYSA-N	402.376	4.601	50	20	HJGD	
O=C(NNc1ccccc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1	769942038	FPJFVRNSIPELRY-UHFFFAOYSA-N	423.313	4.717	50	20	HJGD	
Cc1cccc(NC(=O)NNc2ccc(Cl)cc2Cl)c1C(=O)N1CCCC1	769957011	IVEMPTQXBQGEDY-UHFFFAOYSA-N	407.301	4.686	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	775262155	ZPPSHYQKVVQQHR-UONOGXRCSA-N	418.444	4.903	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cc(C(F)(F)F)ccc1Br	777462211	FPCGJMWGPWIJKF-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cccc(C(=O)O)c1Cl	787167153	DPXQLSMLPKZRJM-KPKJPENVSA-N	405.237	4.554	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1nnc(-c2cc3ccccc3o2)s1	787461530	GTQZJMOTURSCOI-UHFFFAOYSA-N	420.376	4.514	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790558909	KHKOSOXZEREZSH-KBPBESRZSA-N	406.408	4.723	50	20	HJGD	
O=C(Nc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1)OCC(F)(F)F	791726841	LWAATRDXICETDJ-UHFFFAOYSA-N	422.190	4.861	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1	792550229	OXIXSZZMJHNTJS-LBPRGKRZSA-N	421.391	4.726	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1	793893667	XEIGTWLTTFRUCT-SJORKVTESA-N	404.352	4.940	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Cl)nc3cc(Cl)ccn23)cc1	794691280	NQZSSFSUIBGPCX-XFXZXTDPSA-N	401.253	4.585	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1	799707454	YXHGEPLGNJSHTE-UHFFFAOYSA-N	413.430	4.651	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(OC(F)F)cc1)c1csc(-c2cccs2)n1	800520842	OXCJTCFYLQCTNO-UHFFFAOYSA-N	409.483	4.894	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl	801647041	AHEVXJVXJFAKCQ-UVTDQMKNSA-N	412.280	4.737	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)ccc1Cl	803261957	NLSOJAQQHNSOJQ-UHFFFAOYSA-N	413.827	4.725	50	20	HJGD	
CCCCn1ncc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C	817015325	XHHGXGHXQGQKPM-UHFFFAOYSA-N	408.346	4.786	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1C	893371051	WXBBGHBPCZBCSM-FYJGNVAPSA-N	406.530	4.964	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](c2ccsc2)N(C)C)c(C)n1CCC(C)C	914506075	NEQHQKPQUJCKLJ-ZAAFRKLLSA-N	412.603	4.539	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1csc(-c2cccc(OC)c2)n1	915846492	VTXYBDYTHSLJMG-WJDWOHSUSA-N	405.479	4.763	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(N3CCOCC3)c2)c(C)n1CCC(C)C	918671668	SYRGYXIIXLRQGA-JCMHNJIXSA-N	420.557	4.533	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(-c4nnco4)cc3)c2C)c1	919843791	QJPHVJNCMGNERU-FYJGNVAPSA-N	423.476	4.998	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2csc(COc3ccc(C)cc3)n2)c1	920065550	VWHRFWYUGBGLFX-MHWRWJLKSA-N	405.479	4.585	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccc2ccoc2c1	1788588881	NESFXKUAVLBFFW-GOSISDBHSA-N	400.837	4.715	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2C)n[nH]1	1814607091	SDTRPVHYKBBUIO-YJBOKZPZSA-N	420.916	4.571	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)s1	1825785547	NDVWJZGMBHOWMK-KRWDZBQOSA-N	411.011	4.555	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(OC(F)F)c2)c1C	303595924	TZKQWZRGYBCXMR-QJVAEYLJSA-N	417.456	4.768	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c2c(c1)C[C@@H](C)O2	727744165	LJIZSUOLEPHYFJ-LLUUXILJSA-N	403.265	4.871	50	20	HJGD	
Cc1ncsc1CNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	729406014	MNCHRCCQMMMRHO-CAOOACKPSA-N	410.930	4.736	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3cnn(C(C)C)c3)c2C)cc1	732747516	CLIOFIVEASIKOH-VVJWVBNBSA-N	415.541	4.964	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)/C(=C\c1ccc(F)cc1)c1cccs1	733793328	VGODCIOFPWTADW-JAIQZWGSSA-N	424.541	4.792	50	20	HJGD	
C[C@@H](NC(=S)NNC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	734380637	UTWAPGPFWXHFCO-SECBINFHSA-N	417.749	4.909	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@@H](C)C(C)(C)C)cc2)cc1	734388308	ZNWSJIXQBPDOLW-MRXNPFEDSA-N	402.560	4.768	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c3ccncc3)c2C)cc1	735961362	QCHVUSLSJOMZQN-SXZORUHJSA-N	401.466	4.709	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccsc1	737465237	JSLNVFJWBNFXJX-OAHLLOKOSA-N	401.491	4.528	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(Br)cc1Cl)c1nc2ccccc2n1C	741769549	BUOKVDPIAKAZSQ-UHFFFAOYSA-N	420.698	4.535	50	20	HJGD	
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)CCCC[C@@H]1CCSS1	745116758	BATHMEPUKCZOIJ-MRXNPFEDSA-N	408.589	4.584	50	20	HJGD	
O=C(NC[C@H]1CCCN(Cc2cccs2)C1)NNc1ccc(Cl)cc1Cl	747544287	HNLAHDBASZYYFE-CYBMUJFWSA-N	413.374	4.593	50	20	HJGD	
Cc1noc(C)c1CSc1ncccc1C(=O)NNc1ccc(C(F)(F)F)cc1	747589729	MBDZLRCRTPZOTR-UHFFFAOYSA-N	422.432	4.754	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccccc1C(=O)c1ccccc1	748076277	DHCHYCCLPUGWGI-UHFFFAOYSA-N	413.246	4.576	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)nc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	748777566	BZSWKNUMAVBSNO-UHFFFAOYSA-N	421.913	4.668	50	20	HJGD	
Cc1ccc(NNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1	749201134	WVDVNLVXAFDLCA-UKILVPOCSA-N	413.521	4.618	50	20	HJGD	
O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NNc1ccc(Cl)cc1	749276285	QCJVTIHLDAKDEM-UHFFFAOYSA-N	406.939	4.609	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	750044519	YRXZNHWFAHMTSH-JJFYIABZSA-N	405.433	4.553	50	20	HJGD	
CCCCN1C(=O)CC[C@@H](C(=O)NNc2cc(C)cc(C)c2)[C@@H]1c1ccccc1OC	750715480	BVSNXNLLLOALNI-QPPBQGQZSA-N	423.557	4.535	50	20	HJGD	
C[C@H](SCC(=O)NNc1cc(C(F)(F)F)ccc1F)c1nc2ccccc2[nH]1	754143072	MGEOIUKKNAPKSE-JTQLQIEISA-N	412.412	4.658	50	20	HJGD	
CSc1ccc(C)c(NC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1	757911168	TVLAQBPEQXFYLT-UHFFFAOYSA-N	412.540	4.615	50	20	HJGD	
O=C(CN1C(=O)COc2ccccc21)Nc1cccc(S(F)(F)(F)(F)F)c1	762528786	OONMBJUJWWJVJF-UHFFFAOYSA-N	408.348	4.708	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCC[C@H]3C)s2)cc1	764763791	SAYHHSMQPLKVPY-CYBMUJFWSA-N	406.602	4.523	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1	765142697	JHRQCIONSCJWLU-RFRKOGIWSA-N	422.872	4.573	50	20	HJGD	
CC(C)c1nccn1Cc1cccc(NC(=O)NNc2nc3ccccc3s2)c1	769963198	ZPYAGOKIYCHZJA-UHFFFAOYSA-N	406.515	4.813	50	20	HJGD	
CCCNC(=O)c1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1Cl	769978014	KBLLZQFLBIBHCJ-UHFFFAOYSA-N	414.815	4.647	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@H](c1cccc(Cl)c1)C1CCCC1	771563844	XTESWXAMGSZBQL-NRFANRHFSA-N	422.916	4.764	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	771672521	FRTPIHYVECDYDY-UHFFFAOYSA-N	424.234	4.678	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2cccc(NC(=O)OC(C)(C)C)c2)c1	773121762	XLMIJWWNCLQKSZ-WOJGMQOQSA-N	408.454	4.693	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cn(-c2ccccc2)nc1-c1ccccc1	775270732	VGMWWPHGUXWROX-UHFFFAOYSA-N	424.291	4.998	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1	776648025	UDZASAUABIOSTA-KPKJPENVSA-N	414.899	4.594	50	20	HJGD	
Cc1ccc(CO)cc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777629190	GGNWQKXSSAVTRD-UHFFFAOYSA-N	403.394	4.946	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cncc(Cl)c2Cl)c1C	778076766	ALKBAOMWBPIJAF-FCGPPKDQSA-N	407.301	4.560	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc2[nH]c3ccccc3c(=O)c2c1	780977439	NMTDGNYUFQNHQE-UHFFFAOYSA-N	416.239	4.884	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	787152190	WBNRVXXSZRIDMQ-XOAFGZPJSA-N	417.421	4.648	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(C#N)c(Cl)c1	793805043	NBQOSOBOTQBCQF-UHFFFAOYSA-N	401.253	4.839	50	20	HJGD	
C[C@@H]1CC[C@H](CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1	794261165	SPKHOANAPMMBJS-AKLVUOHOSA-N	421.932	4.577	50	20	HJGD	
CC(C)[C@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1cccnc1	797868223	NBWHWMCIMDAROC-HNNXBMFYSA-N	416.241	4.746	50	20	HJGD	
C[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccsc1	802585662	LHIXRPFGGHFPOH-PSLIRLAXSA-N	422.881	4.783	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cnc3c(F)cccc3c2)c1C	806086725	USMXKFSNPDQVNU-QZPXRHMKSA-N	421.472	4.650	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@H](C(=O)N2CCCC2)C1	806422291	QHKDTJZSYYGSSD-GFCCVEGCSA-N	413.412	4.820	50	20	HJGD	
Cc1cc(Br)c(C(=O)NNc2cccc(C(F)(F)F)n2)cc1Cl	806903935	QPPJJCPAZNPEKL-UHFFFAOYSA-N	408.605	4.582	50	20	HJGD	
COc1ccccc1-c1nc(C2CCN(CCO[Si](C)(C)C(C)(C)C)CC2)no1	808752159	AQNNAAAJLPGFLI-UHFFFAOYSA-N	417.626	4.946	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812243854	AXTCJRWEXSIZNH-XYOKQWHBSA-N	400.225	4.855	50	20	HJGD	
CC(=O)Nc1ncccc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	813518501	XFXDGOULUGJRNI-CPNJWEJPSA-N	405.502	4.509	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1	815854264	VGPZIRNUKMAQAZ-UHFFFAOYSA-N	405.445	4.957	50	20	HJGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1OCCc2sccc21	816596072	NJTKPSMWMXDQMZ-BTYIYWSLSA-N	421.522	4.518	50	20	HJGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015066	KFHBSPIWFNNQME-UHFFFAOYSA-N	408.346	4.512	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](c2cccs2)N(C)C)c(C)n1CCC(C)C	863940216	CPBIABIQCHUJLA-NNVROAHOSA-N	412.603	4.539	50	20	HJGD	
CC(=O)Nc1ccc(OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)cc1	909606077	KOPBRNZYJIFAJL-UYRXBGFRSA-N	417.440	4.704	50	20	HJGD	
CCCCN(C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C)[C@H](C)c1ccc(C)o1	914517853	BEWJTBGLLKKJPR-AREJXAQWSA-N	411.546	4.950	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)c1cc(C)ccc1C	914524929	SDDMEMXOAZBVOI-CLMUKVTESA-N	405.542	4.861	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NN=Cc2c(C(C)C)nn(C)c2Cl)cc1	915946598	PBCYCVGJTNIVCL-UHFFFAOYSA-N	404.942	4.920	50	20	HJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2Br)c1Cl	915990639	RVMBSEKUJBSMOG-RAXLEYEMSA-N	421.726	4.953	50	20	HJGD	
COc1cccc(-c2nc(COC(=O)/C(C#N)=C\c3ccc(C)cc3)cs2)c1OC	916611535	XKMXREWZYYEJGT-BOPFTXTBSA-N	420.490	4.786	50	20	HJGD	
Cc1noc([C@H]2CCCN(C(=O)/C(C#N)=C/c3cc(C)n(C4CCCCC4)c3C)C2)n1	919851971	KQADNEAABXWGDV-IOVUBPJKSA-N	421.545	4.615	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)c3nc(-c4ccccc4)no3)cs2)cc1	920063799	FDOSGCQKFHNXHQ-LFIBNONCSA-N	416.462	4.845	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)c1ccc(-c2ccccc2)s1	1115820762	MSZLZXFVYIMMSQ-UHFFFAOYSA-N	419.531	4.542	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc([S@](C)=O)cc3)c2C)c1	1116135009	AMSPKAQTQNRVOK-JFRFOPCWSA-N	417.534	4.686	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(OCC)c(OC)c2)c1C	1338244616	ZHWQIDSLXXRERF-PXLXIMEGSA-N	423.557	4.878	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nc(C)c(C)s3)cc2)CCC1	1789985777	ADTYNIAXMNCLSF-INIZCTEOSA-N	405.951	4.525	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)[nH]n1	1820860317	KQVYCFXPRZGCFV-PBHICJAKSA-N	423.344	4.695	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1	1830309102	FWARQFQIMUMFRY-OALUTQOASA-N	411.373	4.591	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1	1832386646	UVYLFKYZAGXQKL-DCCUHNOOSA-N	423.041	4.984	50	20	HJGD	
O=C(/C=C/C1CC1)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124102	FZCDMZACIFMSJQ-BUHFOSPRSA-N	409.014	4.906	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NC1CCCCC1	7157673	HCHQRUPLCWEJRL-GHRIWEEISA-N	407.901	4.948	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)c1C	7167860	WHWIPQINSJLFQT-SFQUDFHCSA-N	402.450	4.760	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(OC(F)F)c(OC)c2)c1C	22987515	XRZYNGPCESFWTE-WOJGMQOQSA-N	418.440	4.775	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2c(OC)ccc3ccccc23)c1C	211696769	WHWIPQINSJLFQT-ATVHPVEESA-N	402.450	4.760	50	20	HJGD	
Cc1cccc(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1C	211976824	AZGPWMBMMVAORV-XKZIYDEJSA-N	421.541	4.857	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccncc1	213499785	GJHNGAAPYXKYOU-HKWRFOASSA-N	405.461	4.788	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3F)s2)cc1	215634000	LZIVTDHOEIAOAZ-BOPFTXTBSA-N	407.470	4.817	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(C(C)(C)C)cc1	254594424	UOJIKQUJKKKWFH-UHFFFAOYSA-N	408.933	4.955	50	20	HJGD	
Cc1cc(Br)ccc1C(=O)NNC(=S)Nc1ccccc1C(C)C	727173158	QHXVRRJUVLDREK-UHFFFAOYSA-N	406.349	4.512	50	20	HJGD	
COc1ccc(NNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1	729272607	WSSLGMYLVMBIBG-UHFFFAOYSA-N	407.417	4.903	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3	730575301	OAUHHUIPTRJTKM-LICLKQGHSA-N	413.506	4.585	50	20	HJGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(C)(C)C	734337761	ZDPLFVZSJGTZTO-IQFISFIMSA-N	423.948	4.823	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3cc(F)c(F)cc3F)c(F)c2)c(F)c1	734551526	CKMCGGKHBOUWPY-UHFFFAOYSA-N	408.326	4.815	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C)C(C)(C)c1ccccc1	741578735	IYZGNDJAEQLPHL-HWYOBBEWSA-N	407.558	4.531	50	20	HJGD	
CCCN1CCC(NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	743084945	SNNNFANCGFQSGK-OAHLLOKOSA-N	409.905	4.902	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2nccs2)c(C)n1-c1cccc(Cl)c1	746358734	FFAOGIQDRBMRBH-YVLHZVERSA-N	410.930	4.770	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1	747988451	FUQBJSSRARCVKU-GOSISDBHSA-N	418.419	4.528	50	20	HJGD	
CC(C)c1nc(-c2ccccc2NS(=O)(=O)c2ccc(CCCCl)cc2)n[nH]1	751272081	ZJGARTUOGYXSKA-UHFFFAOYSA-N	418.950	4.567	50	20	HJGD	
Cc1nc(COC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)no1	753186874	QQSICQXHMAZPNI-NDENLUEZSA-N	412.449	4.589	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1	756344856	SXRDBGIIDRRWMR-UHFFFAOYSA-N	421.419	4.627	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCN(C[C@H]2CCOC2)CC1	762965839	LZWYIAPPPZDTNG-CYBMUJFWSA-N	415.428	4.530	50	20	HJGD	
Cc1nc2scc(C3CC3)n2c1C=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	764667658	NKXPIFMWFISQFG-HNNXBMFYSA-N	418.522	4.652	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1ccccc1-c1ncc(-c2ccccc2)o1	765990907	PPGBWCDXIBSTCO-UHFFFAOYSA-N	407.433	4.709	50	20	HJGD	
O=Cc1ccc(OCc2occc2C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	768011522	BMGLCYZNRZOQBB-UHFFFAOYSA-N	423.227	4.874	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)nc2)c1C	771469376	CGWPFXDVJIEGEF-MJOIQJIUSA-N	420.485	4.568	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CC2(CSc3ccccc3)CC2)c1C	771735881	UQOJVMKYQJLBCU-UHFFFAOYSA-N	419.554	4.561	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H](c2ncc[nH]2)C1	777999079	JPYDBUOQLSFSIA-NSHDSACASA-N	417.425	4.635	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1noc2c1CCCCC2	780809013	BDKRKMARWLVERU-UHFFFAOYSA-N	419.106	4.770	50	20	HJGD	
Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)NNc2ncncc2Cl)c1	781836875	HULVEDJTZYGRGT-UHFFFAOYSA-N	405.310	5.000	50	20	HJGD	
CC(C)(C)OCc1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc1	782820370	BPDBSKYJUGZNQJ-UHFFFAOYSA-N	417.509	4.810	50	20	HJGD	
CCn1nc(C)c(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1C	782979435	MWTAGLIDDQNTSC-UHFFFAOYSA-N	419.441	4.656	50	20	HJGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21	786666929	SPLGZZOYGWGPGL-NTEUORMPSA-N	410.882	4.872	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1c(F)ccc(Br)c1F	787469300	MUKVEMBRWDTJBA-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cccc(Cl)c2Cl)c1C	790089327	BZKDLHJCRRXWDC-WQRHYEAKSA-N	420.340	4.624	50	20	HJGD	
COc1cc(NNC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)ccc1Cl	790171261	IUVJZBLNNSIFFQ-UHFFFAOYSA-N	411.767	4.779	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1ccc(F)cc1Cl	801502968	FYTSAXWGAOCHJF-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	804773914	WGGIJXCZNKLFGZ-UHFFFAOYSA-N	416.412	4.957	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1[nH]c2ccc(Br)cc2c1Cl	805380486	QQHROUWAYGIEPI-UHFFFAOYSA-N	423.654	4.557	50	20	HJGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)c1cc(F)ccc1N1CCC(O)CC1	811479751	KMWZHLULFGOCPR-QGZVFWFLSA-N	420.956	4.645	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1C	881880208	FDWRIBYUHPSUPJ-QNGOZBTKSA-N	415.541	4.704	50	20	HJGD	
N#C/C(=C/c1ccc(-n2cncn2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	884003930	VKEFLTQFEDXFLG-RGEXLXHISA-N	407.433	4.605	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1	916605466	CNBZDVWKIVJJFA-MIQLPHMESA-N	406.482	4.604	50	20	HJGD	
Cn1ccnc1[C@@H](NC(=O)NNc1ccccc1C(F)(F)F)c1ccc(Cl)cc1	918198433	WLEMRTLSCJTGON-INIZCTEOSA-N	423.826	4.508	50	20	HJGD	
N#C/C(=C/c1csc(COc2ccc(Cl)cc2)n1)C(=O)NC1CCCCC1	918713594	OVURSKZQWMMINQ-UVTDQMKNSA-N	401.919	4.731	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNC(=S)Nc2cccc(F)c2F)cc1	1335499998	SRHPJCCDXCFGFL-UHFFFAOYSA-N	407.486	4.555	50	20	HJGD	
CC(C)C1(C(=O)NC2(c3ccc(NC(=O)CCBr)cc3)CCC2)CCC1	1787673750	VQEHFJUAYBBXHU-UHFFFAOYSA-N	421.379	4.732	50	20	HJGD	
CCCc1onc(C)c1C(=O)Nc1ccc(C2(NC(=O)[C@@H](Cl)CC)CCC2)cc1	1788779111	VNEIYJPMTBDMCF-KRWDZBQOSA-N	417.937	4.701	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4cnccc34)cc2)CCC1	1789327730	JHWNSQVGBLJSGE-OAQYLSRUSA-N	421.928	5.000	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)Cc3ccccc3)CC2)C1	1806164441	XXELNGLZVCXSBN-CTNGQTDRSA-N	419.009	4.504	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)[nH]n1	1815324785	XJYBGVOIWRXUIG-OFQRWUPVSA-N	422.982	4.675	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccsc2)n[nH]1	1815980555	VBBFZUBXGDFLHE-CRLUXQHQSA-N	420.966	4.584	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C)c2Cl)n[nH]1	1823183904	NZRMKEWYNBFDFE-HOCLYGCPSA-N	423.344	4.695	50	20	HJGD	
CC(C)C1(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)CCC1	1824014530	CCVRMKUHICEKOT-LJQANCHMSA-N	411.030	4.697	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)CC1	1827613526	FVBWZSWSZCNNFM-AFYVEPGGSA-N	414.993	4.747	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1	1828257331	GGULONJHQRZHIQ-WOJBJXKFSA-N	416.949	4.684	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(C)c2C)CC1	1830305322	NYGQPNQSAWNKCJ-OALUTQOASA-N	411.011	4.616	50	20	HJGD	
CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(Cl)Cl)CC1	1831468425	OCFGNUFPNVQFRT-WBVHZDCISA-N	405.410	4.626	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccn2)cc1Cl	25174861	YKLQNXHDFDXOAG-SFQUDFHCSA-N	419.868	4.868	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1	62512241	JSSZNIUXUSVHFS-UNOMPAQXSA-N	417.440	4.635	50	20	HJGD	
COc1ccc(Cl)cc1N1CC[C@H](NC(=O)CCCC[C@@H]2CCSS2)C1	110478603	XTFKLMPXNPUBJN-JKSUJKDBSA-N	415.024	4.758	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cs2)cc1	141373041	KFLQHEOONNLZBC-LFIBNONCSA-N	405.479	4.585	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CC[C@@H](N2CCCC2)C1	727222294	BJTPDALQXDMTHC-IUODEOHRSA-N	407.889	4.608	50	20	HJGD	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727847325	WXHRRJFKCFWWBD-SNVBAGLBSA-N	423.325	4.651	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1	730033337	RYLLENJMGFPCSU-HXUWFJFHSA-N	404.482	4.526	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ncc(-c3ccc(Br)cc3)[nH]2)cc1	732714161	SCTJZASALWGOPC-LFIBNONCSA-N	421.298	4.947	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ncc(-c3ccc(Br)cc3)[nH]2)cc1	732714162	SCTJZASALWGOPC-WJDWOHSUSA-N	421.298	4.947	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)c1C	733770933	LMIXARBCGZCOEJ-XUKJQLKWSA-N	418.541	4.809	50	20	HJGD	
O=C(Cc1cccc(OCc2ccccc2Cl)c1)NNc1cnnc2ccccc12	733809083	VXHLBRIJLUXFFH-UHFFFAOYSA-N	418.884	4.548	50	20	HJGD	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NNc2ccccc2[N+](=O)[O-])c1	735029125	RNXQDHJQSFKOJE-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
C[C@@H](Sc1ncccc1Br)C(=O)/C(C#N)=C1/Nc2ccccc2S1	735981395	JASWHUVMPPVKFB-QTFVRGKZSA-N	418.341	4.847	50	20	HJGD	
C[C@@](O)(CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1cccs1	740434410	IUHXPEUMKDVPER-DZGCQCFKSA-N	424.897	4.997	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C)c1cc(F)ccc1F	740799933	WPOJYDKRWPGRJL-WZZPSOHESA-N	415.484	4.765	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(c3cccc(Cl)c3)CC2)c(C)n1C[C@@H]1CCCO1	740810733	WTHXXMAFHZLANE-PSXBWXLBSA-N	423.944	4.650	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c3cccnc3)c2C)cc1	743723423	UIUAFXGUNSIWFZ-QWQBBLJPSA-N	414.509	4.624	50	20	HJGD	
Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NNc1ccccc1Cl	748318133	HXKIOELSYBMWMC-UHFFFAOYSA-N	404.253	4.904	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(Oc3ncccn3)c2)c1C	751193317	DAYZTNGLQKOIGQ-UYRXBGFRSA-N	402.454	4.610	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(Cl)c(Br)c1	753657499	BGZGVMUVWZCJNS-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
CSc1ccc(NC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1	755556544	GJHUGPHGCACHKE-UHFFFAOYSA-N	418.478	4.683	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1c[nH]nc1-c1cccc(Cl)c1	755620627	ZLKOGLUTWFUKKG-UHFFFAOYSA-N	421.913	4.546	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cc(C)ccc1OC(F)F	756784139	QLXMDCFHCIHPNA-OQLLNIDSSA-N	402.397	4.508	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCCC2)nc1)C(=O)Nc1ccc(SC(F)F)cc1	758416204	QHIFRCBQRQPBLG-PTNGSMBKSA-N	400.454	4.542	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(F)c(C(F)(F)F)c(F)c1	760517520	NEBNZHPRGWDMOX-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Oc1ccc([N+](=O)[O-])c2ccccc12	762347654	KBLARIHMTNPLOP-UHFFFAOYSA-N	423.812	4.990	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(C)n1C1CCCCC1	765232046	UUXVHTGRKWPCJE-QUYZQLMHSA-N	408.550	4.636	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3cccs3)nc3ccccc23)c([N+](=O)[O-])c1	768327534	BHQKFXBXVKMYFJ-UHFFFAOYSA-N	420.450	4.637	50	20	HJGD	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)NNc1cnccn1	770040444	ZFFWKTCJWNPGBM-UHFFFAOYSA-N	419.464	4.670	50	20	HJGD	
N#CCOc1cc(F)ccc1NC(=O)NNc1c(Cl)cc(Cl)cc1Cl	770065074	CAFPXSFZKYGAFU-UHFFFAOYSA-N	403.628	4.837	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1cccc(CSC(C)C)c1C	773770548	HZJHRRCQEGQUJC-UHFFFAOYSA-N	405.951	4.680	50	20	HJGD	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	775175958	IJFJKQKIQIFJEW-CARYKQCGSA-N	423.479	4.535	50	20	HJGD	
CCO[C@H]1C[C@@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C12CCC2	777974171	ZPUJKTIXOSWBQO-KGLIPLIRSA-N	421.453	4.970	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1cc(Cl)ccn1)c(C)n2Cc1ccccc1	778450169	UEDOOJYCXNSOHJ-UHFFFAOYSA-N	420.900	4.812	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1ncccc1C(F)(F)F	778505833	JQYCECDMWFZTEP-UHFFFAOYSA-N	414.359	4.567	50	20	HJGD	
CC(C)C[C@@H]1COCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782984109	XVQCYZPBTBYGKQ-GFCCVEGCSA-N	409.442	4.780	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1	784884348	VEVREBLHXOATGX-UHFFFAOYSA-N	413.836	4.662	50	20	HJGD	
Cc1cc2c(Br)ccc(C(=O)NNc3ncc(Cl)cc3Cl)c2o1	785633243	CGKXQPLGZJORNE-UHFFFAOYSA-N	415.074	4.962	50	20	HJGD	
COCCOc1ccccc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	787146517	YZILNVXMUBKKBP-LUYJPIOASA-N	419.308	4.803	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1	787540916	NKUUIIOVXRXHPU-KZIRBZLESA-N	412.873	4.539	50	20	HJGD	
COc1cc(NNC(=O)Nc2cc(F)ccc2OCC(F)(F)F)ccc1Cl	788558734	BQFAHBOIPYJDEP-UHFFFAOYSA-N	407.751	4.577	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl	792358595	OKMPMLKKZUMPNM-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
O=S(=O)(NC[C@H](CO)CC1CCCC1)c1cccc(S(F)(F)(F)(F)F)c1	798473074	ANRIFRMFZFSRHV-CYBMUJFWSA-N	423.469	4.811	50	20	HJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=C3CCC[C@H](c4ncccc4C)C3)sc2n1	799106933	QRPALLKYKOAJFN-HNNXBMFYSA-N	407.543	4.642	50	20	HJGD	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NNc1cccc(Cl)n1	814629109	CXTQSMUCQGUQPK-UHFFFAOYSA-N	407.861	4.643	50	20	HJGD	
CCOC(=O)[C@H]1CCCc2sc(NC(=O)CCCC[C@@H]3CCSS3)nc21	817497671	XIWFXNBSDHOCMN-OLZOCXBDSA-N	414.618	4.779	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1	817886273	ZSPRRCIEYAWBDS-UHFFFAOYSA-N	414.465	4.868	50	20	HJGD	
O=C(/C=C\c1cccc(F)c1)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	913453611	ATDNQDUKRZKXLC-DAXSKMNVSA-N	417.815	4.529	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1ccc(C)cc1	915902532	CZVOZHCIAJTPTP-JOCHJYFZSA-N	417.509	4.523	50	20	HJGD	
COc1cc(C(=O)NN=Cc2ccccc2Br)ccc1OCCC(C)C	916348075	CGBMTGFFWVAQMH-UHFFFAOYSA-N	419.319	4.647	50	20	HJGD	
CCCCOc1ccc(C(=O)NNC(=S)Nc2cccc(C(C)C)c2)cc1OC	917571657	DYSNUDKOKUCZKA-UHFFFAOYSA-N	415.559	4.629	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)nc3F)cc2)CCC1	1785763878	YHYDPIXJIRNSAN-INIZCTEOSA-N	421.875	4.515	50	20	HJGD	
CCC[C@@H](C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)n1cccc1	1788600097	WMFIUMSGCOYYJH-KRWDZBQOSA-N	422.356	4.767	50	20	HJGD	
CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)CC1	1789113626	IRNFGVWSDAPQRB-SFHVURJKSA-N	414.622	4.718	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)c3ccc(C)cc3)CC2)C1	1806162782	URJZQOXLTGLWTP-TZIWHRDSSA-N	419.009	4.737	50	20	HJGD	
C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCCCCCCl)n[nH]1	1820824564	WEOORZZBUXDLIA-IBGZPJMESA-N	420.985	4.785	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OCc1ccccc1	6209408	BIVNIJMMQGBLJC-CPNJWEJPSA-N	402.425	4.959	50	20	HJGD	
CCOc1cc(C(=O)NNc2cccc(C)c2)ccc1OCCOc1ccccc1	215779391	XCNZGODAIRTIPP-UHFFFAOYSA-N	406.482	4.608	50	20	HJGD	
Cc1noc(C)c1COc1ccc(CC(=O)NNc2cccc(C(F)(F)F)c2)cc1	215790740	KFQXGFYVISEBDE-UHFFFAOYSA-N	419.403	4.575	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCCc3scnc3C)c2C)cc1	301236733	AQIWHCYTWXQRAI-UNOMPAQXSA-N	421.522	4.561	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc(C(=O)NCC(C)C)c2)c1C	727506887	HLLVLNAGBPKFJV-YDZHTSKRSA-N	421.541	4.551	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1ccc(SC(F)F)cc1	728176103	NLUKVBHWNUSLBZ-ZROIWOOFSA-N	414.412	4.872	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccc(Cl)cc2Cl)c1	728432275	MEPVLJZRBWENOH-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H](Sc1ccc(F)cc1F)c1ccccc1	729964890	GTQUVQKRBPEYEV-IBGZPJMESA-N	415.421	4.850	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cc3ccccc3s2)c1C	730505340	CRHUCVUSGYQWFQ-SDLDRHLBSA-N	407.539	4.750	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1ccccc1Nc1cccc(C(F)(F)F)c1	734261036	LMJCFZBNTNWZSK-UHFFFAOYSA-N	407.783	4.649	50	20	HJGD	
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NNc1c(Cl)cc(Cl)cc1Cl	735419448	FXRYFBKWPBNDFP-UHFFFAOYSA-N	409.056	4.894	50	20	HJGD	
Cc1cccc(C(C)(C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1	736044589	CBRCEYBKQUWHML-XOYGFPHKSA-N	405.542	4.551	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cnc2ccc(Cl)cn12	737444103	NWXJRLMGMOTLTA-WUXMJOGZSA-N	401.253	4.504	50	20	HJGD	
Cc1cccc(-c2ccc(CNC(=O)NNC(=O)CCCc3ccccc3)cc2)c1	739039902	SFWSXRGVOUDNFO-UHFFFAOYSA-N	401.510	4.515	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC2(C)COC2)c(C)n1-c1cccc2ccccc12	741818621	JTRHFDFGIRHAQQ-MTJSOVHGSA-N	400.478	4.734	50	20	HJGD	
CCNC(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	742416975	FXAHJEJHBVUMIH-MOSHPQCFSA-N	421.545	4.838	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1nc(C)cs1	745806394	GENVRKMURMEFKE-SFHVURJKSA-N	409.515	4.606	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(-c2ccc3c(c2)OCCO3)s1	746695999	VQAFARHARLPRHI-UHFFFAOYSA-N	404.850	4.736	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1	747875483	SAWZFCHLFPBKKX-BVTUPMQUSA-N	409.829	4.610	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccccc3Br)c2C(C)C)cc1	748060707	ZBKTZPKBONPPBD-UHFFFAOYSA-N	413.319	4.824	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H]1c2ccccc2CCN1C(C)=O	748667329	LGJSVNRPVYAERZ-QFIPXVFZSA-N	421.566	4.859	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccc(Cl)c(Cl)c1	750323105	RQUZAUFDXHBKCS-GOSISDBHSA-N	408.329	4.798	50	20	HJGD	
COc1ccc(-c2nc(CN3CCN(/C(=C/C#N)c4ccccc4)CC3)cs2)cc1	750791996	XFGWEZSTFLJDCG-FOKLQQMPSA-N	416.550	4.501	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(C(F)(F)F)ccc2Br)cc1Cl	753322479	JHDAXHVVEDYPQS-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
Cc1csc(Sc2ccc(NC(=O)NNC(=O)c3c[nH]c4ccccc34)cc2)n1	756172530	FERVGRMYRBBKLX-UHFFFAOYSA-N	423.523	4.551	50	20	HJGD	
O=C(NNC(=O)c1ccccn1)Nc1ccccc1-c1ccc(-c2ccccc2)cc1	756466330	OVSUPAKNHIHBOY-UHFFFAOYSA-N	408.461	4.882	50	20	HJGD	
N#C/C(=C/c1cccc(Cl)c1F)c1nc(O)c2cc(Br)ccc2n1	759641701	DTLOBGZHOQCBNN-POHAHGRESA-N	404.626	4.955	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1	765142695	JHRQCIONSCJWLU-MTOJCTJASA-N	422.872	4.573	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(OCc2cccc(F)c2)cc1	767127431	NNJXRLBJKMSTBZ-UHFFFAOYSA-N	401.441	4.579	50	20	HJGD	
CCn1c(SCC(=O)NN=CC2CCC(C(F)(F)F)CC2)nc2ccccc21	767389005	ZVFFMPSJEJSISR-UHFFFAOYSA-N	412.481	4.619	50	20	HJGD	
COCc1ccccc1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777874161	COPJTMGFBBBTCE-UHFFFAOYSA-N	417.421	4.969	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2csc(-c3ccc(F)c(F)c3)n2)c(Cl)c1	779920476	JZXHBZDCBGROME-UHFFFAOYSA-N	422.844	4.517	50	20	HJGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc3ccc(Br)cc3n2)c1	786056728	QTHKSOHFNXKKQJ-LICLKQGHSA-N	406.283	4.529	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OC)s1)c1ccccc1	787141521	OJBNUROUHDKPLT-RCBBPTIPSA-N	405.317	4.694	50	20	HJGD	
COc1ccc(COCc2cccc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)c2)cc1	787215800	MFWDMDQQEAPCEC-FYJGNVAPSA-N	414.461	4.663	50	20	HJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3nnc(-c4ccccn4)s3)cs2)cc1	788555913	YFPPZACETNQJAH-UHFFFAOYSA-N	422.539	4.604	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1oc2ccccc2c1COc1ccccc1	790592216	UROAEXWHENJASG-UHFFFAOYSA-N	421.384	4.816	50	20	HJGD	
C=C(CBr)COC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12	795423113	XOTPEBRIUVFCTE-UHFFFAOYSA-N	405.248	4.516	50	20	HJGD	
CCOc1c(Cl)cc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1OC	913188094	GVGVKIUJZCFHNH-UHFFFAOYSA-N	406.269	4.706	50	20	HJGD	
CC(C)CC(=O)NNC(=O)c1oc2ccccc2c1CSc1ccccc1F	921166158	DGRBUBAAMKJGNI-UHFFFAOYSA-N	400.475	4.671	50	20	HJGD	
CCN1CCC[C@@H](CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	1251664913	SNWPXWUAJXMTRB-SWLSCSKDSA-N	409.905	4.759	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@](C)(Cl)CCl)CCC3)cc2)o1	1786493428	GVXOWAUBRYMJCQ-LJQANCHMSA-N	409.313	4.572	50	20	HJGD	
CCc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](Cl)CC)CCC3)cc2)cc(C)n1	1788839916	WZOHIFYIAVQISK-FQEVSTJZSA-N	413.949	4.718	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC)cc3)CC2)C1	1806163751	XCPFZUWNZAXQPW-FQEVSTJZSA-N	404.982	4.501	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccccc2F)c(C)n1-c1ccc(F)cc1	11459611	ZNCDIKVGWAMIQD-LDADJPATSA-N	420.415	4.705	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cc2c(s1)-c1ccccc1OC2	26857852	SQTPVMBXEFRMRD-UHFFFAOYSA-N	415.927	4.592	50	20	HJGD	
Cc1cccc(NNC(=O)c2ccc(COc3cccc(Br)c3)o2)c1	195630859	XYRGTCXZWCPSHE-UHFFFAOYSA-N	401.260	4.686	50	20	HJGD	
Cn1c(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)s2)nc2ccccc21	725760633	YOSDVAODSPXFGI-UHFFFAOYSA-N	408.914	4.648	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)NCc1ccccc1-c1ccc(Cl)cc1	726799742	URSSDFMNWUKTSK-UHFFFAOYSA-N	408.889	4.851	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1	727501643	XMDTXRMLCYNYPX-UHFFFAOYSA-N	411.939	4.681	50	20	HJGD	
O=C(NN=Cc1cc(Br)cs1)c1ccc(Br)cc1Cl	728782749	QOIMGETYHNFSJA-UHFFFAOYSA-N	422.529	4.690	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)N[C@H](c2ccccc2)C2CCC2)cc1	729615240	VVTDUHGSGGAWBG-JOCHJYFZSA-N	409.530	4.597	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1	733083489	KDHQGYUDWZBABV-XGHPXPSOSA-N	404.451	4.503	50	20	HJGD	
Cn1nc(-c2ccccc2)c(C=NNC(=O)CSc2ccc(Cl)cc2)c1Cl	734744398	BBHYJCQRTVXADW-UHFFFAOYSA-N	419.337	4.636	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)c3nc4cccc(C)c4[nH]3)cs2)cc1	735618881	GTOGFLIVHMYLRC-GDNBJRDFSA-N	402.479	4.980	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C)c1ccc(F)cc1F	737645377	QAZRXVXCVHPBBE-KOGNSTDNSA-N	415.484	4.765	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCCC[C@H]2c2ccc(C)o2)c1C	737742017	CUWDWBSZLONGQR-GYZZIOIESA-N	409.530	4.704	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](Cc1ccccc1)c1ccccc1F)c1ccccc1	741092459	CFANNEQRGNAVIT-NFBKMPQASA-N	419.500	4.634	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc2c(cc1OC(F)F)OCO2	741840264	MDSUPIYQZNEXEW-XGICHPGQSA-N	406.772	4.524	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)cc1C	743823206	XTAJWINGPIHAHY-CQSZACIVSA-N	409.477	4.834	50	20	HJGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(SCc3ccccc3)cc2)cc1	743826629	KUSLXFQSXDOFQM-UHFFFAOYSA-N	420.538	4.511	50	20	HJGD	
Cc1ccc(-c2ocnc2C(=O)Oc2ccc([N+](=O)[O-])cc2Br)cc1	744169604	YSAJZMQIUXUJGM-UHFFFAOYSA-N	403.188	4.540	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c1C	748186975	JDPVZRGYIVKRBO-PXLXIMEGSA-N	418.541	4.605	50	20	HJGD	
Cc1cc(NNC(=O)Cc2csc(-c3cccc(F)c3)n2)ccc1Br	748602680	OWBVIEVQFBVDDH-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc3ccc(Cl)cc3n2)cc1	752519047	NQSUCTPPMQANGF-UHFFFAOYSA-N	412.946	4.862	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)cc1	756433286	XBLLKDXUKZYBLL-UHFFFAOYSA-N	420.469	4.653	50	20	HJGD	
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1cc(C)ccc1F	760147779	RRBHHVMPZCLUMA-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(N2CCC[C@H]2C(C)C)c(F)c1	760423687	LCJKBNZVUSUFEW-SFHVURJKSA-N	406.933	4.755	50	20	HJGD	
CC(=O)Nc1cc(C(=O)NNc2cc(Cl)ccc2Cl)cc(C(F)(F)F)c1	761574091	YGAZESPRUZDHAI-UHFFFAOYSA-N	406.191	4.728	50	20	HJGD	
N#C/C(=C/c1ncccc1C(F)(F)F)c1nc(O)c2cc(Br)ccc2n1	765502821	SHAMPDZNGMABTG-TWGQIWQCSA-N	421.176	4.576	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)C2CCCCC2)ccc1OCC(=O)N1CCCCC1	767713785	MGIRBPUNOJGULR-RCCKNPSSSA-N	424.541	4.533	50	20	HJGD	
CCc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)cnn1-c1ccccc1C	771719115	RIOFPTKSTDRGRD-UHFFFAOYSA-N	405.889	4.702	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)n1C1CCCCC1	773762185	VWPSGUJNJUXYKQ-QAIWHXNASA-N	421.541	4.676	50	20	HJGD	
CC(C)c1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1	775220984	KXRPETGKTMPXJY-HAHDFKILSA-N	423.520	4.811	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	777478315	WIEOMOLDQHBADT-UHFFFAOYSA-N	411.465	4.944	50	20	HJGD	
CC(C)(CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccncc1	778041964	DJHISJYMHVOXBN-UHFFFAOYSA-N	416.437	4.995	50	20	HJGD	
CC(C)(C#N)CCOC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	781869609	SDIULKXKIOTSQF-ATVHPVEESA-N	421.888	4.507	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)nc(O)n1	782415106	UJGYLNYNVANPEM-MOSHPQCFSA-N	423.476	4.597	50	20	HJGD	
Cn1cc(C(=O)NNc2cc(Cl)ccc2Cl)c(-c2ccc(Cl)s2)n1	789818670	LPHOJNRTYLQSNQ-UHFFFAOYSA-N	401.706	4.866	50	20	HJGD	
O=C(NNC(=O)c1occc1CSc1ccccc1)c1ccc(Cl)cc1Cl	789880490	BJLVOWRNGLCVBF-UHFFFAOYSA-N	421.305	4.954	50	20	HJGD	
Cc1cccc(-c2cc(Cl)ccc2NC(=O)C(=O)NNc2c(F)cccc2F)c1	797021983	YAYOJNOACUJJRM-UHFFFAOYSA-N	415.827	4.675	50	20	HJGD	
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	797841809	QLEPNZIJKFNXQR-FZMZJTMJSA-N	407.426	4.604	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c1	798125744	MSVVIKAQOWDYTN-UHFFFAOYSA-N	420.469	4.574	50	20	HJGD	
COC(=O)Nc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	804610267	YHMIGBROWOYNMN-FYJGNVAPSA-N	422.529	4.553	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2	806512739	STPSFQRUKDYZGH-MRXNPFEDSA-N	420.542	4.622	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1sc2ccccc2c1Br)c1ccccc1	810379173	RFPPZHAXNWYKBJ-CYBMUJFWSA-N	417.328	4.619	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(OC(F)F)c(F)c1	815856024	RRBAHYVKNIKNAE-UHFFFAOYSA-N	409.589	4.600	50	20	HJGD	
Cc1ccc(C)c(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1	913453862	NBVKKGXLTAISAW-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
CCN(CC)Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)c1	914840845	HYGBBIJPVWRNTF-WQZUMXOESA-N	422.573	4.700	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1CCN2CCC[C@@H]2C1	915683551	VFWPGTQKQHJDLI-ZOWXZIJZSA-N	407.889	4.654	50	20	HJGD	
COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1	916287942	QWBGILLGWVQOLW-UHFFFAOYSA-N	417.440	4.659	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	918182895	FRFMFQJYFNDGLN-VIFPVBQESA-N	420.218	4.717	50	20	HJGD	
C#CCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	920064496	CSLOFSZXQYXTQG-GZTJUZNOSA-N	406.290	4.734	50	20	HJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=Cc1csc(C2CC2)n1	920371444	RPTBWWIIMURVRT-UHFFFAOYSA-N	402.932	4.749	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cnn2CC2CC2)c1C	1318136154	SGKRHQQJACBQJJ-WSDLNYQXSA-N	413.525	4.863	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(OC(F)F)cc1OC(F)F	1318980994	ADVPAONFKHILRR-UHFFFAOYSA-N	420.362	4.735	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccn(-c2ccccc2C(F)(F)F)n1	1321026776	GQYVTZPIPYKUAI-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
N#Cc1cccc(C2(C(=O)NNc3ccc(Br)cc3C(F)(F)F)CC2)c1	1334359480	RVWZRFYJKDQQEF-UHFFFAOYSA-N	424.220	4.514	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)s3)cc2)CCC1	1786976740	AVDZYQZJOOGOPL-UHFFFAOYSA-N	408.926	4.900	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccs3)cc2)CCC1	1788163819	VEBLKYRBLWMBEG-DOJUMQAQSA-N	402.947	4.913	50	20	HJGD	
CC1(C)CCC(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](F)Cl)n[nH]2)CC1	1818041586	JHEOMXKNLLPHBO-MAUKXSAKSA-N	412.937	4.543	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](Cl)CCC)CC1	1828820762	FCZCQUJTMAHUNQ-NJDAHSKKSA-N	409.014	4.782	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1nccs1	7167000	JZDGZSAKNYDOOY-CPNJWEJPSA-N	411.490	4.601	50	20	HJGD	
CCCOc1ccc(C(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1OC	15761991	GQSPSOBYYRRIHQ-UHFFFAOYSA-N	424.522	4.596	50	20	HJGD	
CCN(Cc1ccc(CN(C)C)cc1)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	727398886	IGQJZXGCRPZFAY-QFEZKATASA-N	420.601	4.778	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1C[C@H]1c1ccc(Br)cc1	729515169	VYRUOOYFOWGVKI-JKSUJKDBSA-N	416.706	4.898	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)C(C)(C)c1ccccc1	731152340	DIWWCQGTXSFQBD-UHFFFAOYSA-N	408.933	4.630	50	20	HJGD	
CC(C)(C(=O)NNC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1	731222455	QHCPDGLEDBZNMO-OAQYLSRUSA-N	421.928	4.738	50	20	HJGD	
CC(C)Cc1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1	734260213	ZEQGWDSVLXYKPE-UHFFFAOYSA-N	415.419	4.513	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccn(C(C)C)n2)c(C)n1-c1ccccc1F	735123597	KFHDOZMTYVLGGL-XDHOZWIPSA-N	406.461	4.661	50	20	HJGD	
CCc1cc(NNC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)nc(-c2ccccn2)n1	738531048	SKWGRSGLOZXLMQ-SFTDATJTSA-N	409.493	4.501	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(SC)cc1OC	741165331	KSYLNBXIXJWOIE-RIYZIHGNSA-N	402.903	4.933	50	20	HJGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(Cl)c(Cl)c1	747523159	DBZLGFRIYGTUFY-VIFPVBQESA-N	418.227	4.551	50	20	HJGD	
CCCc1noc2nc(C3CC3)cc(C(=O)NNc3ccc(C(F)(F)F)cc3)c12	747589691	KRZRFPNWSQYGQV-UHFFFAOYSA-N	404.392	4.828	50	20	HJGD	
COc1ccc(SCCC(=O)NNc2ccc(Cl)cc2Cl)cc1OC	748007898	IMSINLHCPOBHBR-UHFFFAOYSA-N	401.315	4.636	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1ccc(Br)c(Cl)c1	748022276	QMLRRZNUCZKPKD-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cnc(-c2ccccc2F)s1	748749172	WQHSGYBSGGJSJD-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
O=C(NNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1cc2ccccc2o1	749472601	QNMAWXBIDAHDPD-UHFFFAOYSA-N	423.428	4.830	50	20	HJGD	
Cc1ccnc(NNC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)c1	755847711	ZOTZBYVSFQPPHV-UHFFFAOYSA-N	421.551	4.920	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cc(-c2ccncc2)nc2ccccc12	755856059	JXTRKGDJWBZXKC-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc(COC(C)(C)C)c2C)c2ccccc2n1	756857848	WWQOBOKWGFALHS-UHFFFAOYSA-N	420.513	4.633	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	758715829	SFGCOMBMQDRTLV-XJKSGUPXSA-N	416.255	4.818	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)c1O	761014482	GEMZWPOMCQEUGG-WQLSENKSSA-N	421.678	4.671	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2cccnc2)c1	766485552	TVRUCTRGJZEZDX-WOJGMQOQSA-N	419.868	4.868	50	20	HJGD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)o1	766548217	NPUGODWEYJWODD-UHFFFAOYSA-N	421.365	4.915	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(OCc2ccncc2)cc1	768009592	PGKMKIQAINJFMH-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2	768592090	UPTIKIBJKZOIEP-LSCADSNKSA-N	417.509	4.778	50	20	HJGD	
CC(C)COc1ccc(C(C)(C)C(=O)NNc2nc(C(F)(F)F)cs2)cc1	769189306	RXEIBFABEQDDIO-UHFFFAOYSA-N	401.454	4.618	50	20	HJGD	
CC(C)n1cc2cc(NC(=O)NNc3ccc(Br)c(F)c3)ccc2n1	771159364	PWIFXXMTTKBZQT-UHFFFAOYSA-N	406.259	4.667	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1cc(-c2ccccc2Cl)nc2ccccc12	781833127	GEKNXRYZCJBLKV-UHFFFAOYSA-N	410.264	4.756	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1ccc(Cl)cc1F	801503867	NPTPRHPNWOTDOQ-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(F)c(Br)c(Cl)c1	802826024	RZCICJLWZWEXNE-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(C3CCOCC3)cs2)c1C	804818791	XZWCAKVDBPXIGQ-UNOMPAQXSA-N	412.559	4.801	50	20	HJGD	
O=C(NNc1cccc(F)n1)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1	806258200	GIERNWUNKKYJCL-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
O=C(NN=Cc1cc(F)ncc1F)c1cc(-c2ccccc2Cl)nc2ccccc12	807946491	UKWBQCQONFBWSY-UHFFFAOYSA-N	422.822	4.992	50	20	HJGD	
C[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccc(Oc2cccnc2)cc1	808324321	HICWAWJFEBTBBR-INIZCTEOSA-N	416.930	4.695	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H]1COc2ccccc2[C@H]1O	808843467	GBBPQBLHYTUREF-DZGCQCFKSA-N	410.364	4.960	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)c(OC)cc2Cl)c1C	809203741	GUCQEOHCCFZIJX-UPAIAECRSA-N	415.921	4.828	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2c(C)cccc2C(C)C)ccc1Oc1cccnc1	813046822	IIGCPHLUTXSRAC-UHFFFAOYSA-N	418.497	4.696	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1ccccc1Sc1ccccc1[N+](=O)[O-]	817005265	LRCANPGLIDFIMF-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(Br)cc2C(F)(F)F)cc1	817925304	AUQBAAUAOJXENR-UHFFFAOYSA-N	403.198	4.624	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1C	915041202	LKGSVKMAGXUYJQ-QNGOZBTKSA-N	418.541	4.605	50	20	HJGD	
CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(F)F	916359328	VMGSMANEYDFAEZ-UHFFFAOYSA-N	403.212	4.757	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccc2)C2CCCC2)c1C	916496515	GQISQFQPBRVCHJ-ZBDCHNAPSA-N	405.542	4.706	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2csc(Nc3ccccc3C)n2)c1	916601922	HDWABYNAKLJEJL-LICLKQGHSA-N	405.479	4.854	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)c1cn(C)nc1C	917531586	AUEFFEVYPSYTBR-UHFFFAOYSA-N	412.493	4.615	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)c1oc2ccccc2c1CSc1ccccc1F	921151311	HIKKDOWZTWYMQJ-UHFFFAOYSA-N	412.486	4.815	50	20	HJGD	
COc1cc(-c2nnc(-c3c(C)nn(CCCl)c3C)o2)ccc1OCCC(C)C	1261427721	KLWBEEYHSWRRJQ-UHFFFAOYSA-N	418.925	4.889	50	20	HJGD	
COc1ccc(C(=O)Nc2ccccc2C(=O)NNc2ccc(C)c(Cl)c2)cc1	1322423568	LKUBDDZQKNMPIT-UHFFFAOYSA-N	409.873	4.666	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C)c2F)n[nH]1	1814582425	FWUJYUSDBXHZMD-RDJZCZTQSA-N	420.916	4.571	50	20	HJGD	
CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)cc1	1830070972	XSTNOTXDHSVVFD-NRFANRHFSA-N	419.009	4.747	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl	3300948	SJDNRCFHILTBBR-WUXMJOGZSA-N	409.656	4.736	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1	7157396	LLMUYIMHFLHISQ-GZTJUZNOSA-N	408.864	4.886	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)Cc1csc(-c2ccc(C)cc2)n1	26959505	HPFWAIVQRLNECN-UHFFFAOYSA-N	424.595	4.550	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1O	59483978	QPJGSTCURQWODY-KPKJPENVSA-N	421.678	4.752	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	727267436	UDEPYGFTFMAHSG-DHDCSXOGSA-N	409.848	4.587	50	20	HJGD	
CCn1nc(C)c(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1C	727974999	RXWLKXUJKYYYKS-YVLHZVERSA-N	405.527	4.806	50	20	HJGD	
N#Cc1cccc(C(=O)NNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1	728828051	IBLGIIYAYSSIDD-UHFFFAOYSA-N	424.696	4.808	50	20	HJGD	
Cc1c(C(=O)NNc2cccc(Cl)c2)nnn1-c1ccc(-c2ccccc2)cc1	731183898	ISRXCBGFJBOTGJ-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(Oc2ccc(F)c(F)c2)cc1	732765194	KGMOEHQHOOULTH-UHFFFAOYSA-N	408.364	4.564	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3c(F)cccc3F)o2)cc1	734368207	PXDBZQXJDFUYOJ-SDNWHVSQSA-N	407.376	4.729	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NNc1cccc(C(F)(F)F)n1	740137948	POWJTWONFYDHLW-UHFFFAOYSA-N	418.853	4.625	50	20	HJGD	
CCc1nc(C)c([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)s1	741950922	PEZFJERYAUHADE-IMXAUMLKSA-N	415.559	4.851	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc2c(C(C)C)nn(C)c2s1	743327218	BFOQSOFFSYGPEP-UHFFFAOYSA-N	415.588	4.513	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNC(=S)Nc3ccccc3C(C)C)c2)cs1	743327235	BNWIJRRIONSOIG-UHFFFAOYSA-N	410.568	4.873	50	20	HJGD	
COc1ccc([C@@H](NC(=O)NNc2ccccc2)c2ccccc2Cl)c(OC)c1	745915015	VHJNBSTXMTYWGW-NRFANRHFSA-N	411.889	4.773	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1	746420100	AQEVJQDWGXIYNB-ZDUSSCGKSA-N	408.424	4.543	50	20	HJGD	
O=C(NNc1ccccc1)c1ccccc1Sc1ccc(Br)cn1	747987212	DASRRXAXXDZDDC-UHFFFAOYSA-N	400.301	4.752	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNc1cccc([N+](=O)[O-])c1	748004439	HNKKAUWKHXNIEI-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1c(F)cccc1F)c1ccc2c(c1)CCC2	748175174	BFCUKOWUHNASLQ-UHFFFAOYSA-N	413.449	4.524	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1csc(Cc2ccccc2F)n1	748190370	AMXKNAHTCZSMBK-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
Cc1c(NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1[N+](=O)[O-]	748694037	RLDMJZCESRPZOF-UHFFFAOYSA-N	407.270	4.698	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccncc2)nc2ccccc12	748722044	LGXMJSGZCIQBSF-UHFFFAOYSA-N	419.828	4.615	50	20	HJGD	
CC[C@H](C#N)Oc1cc(CNC(=O)NNc2cc(Cl)ccc2Cl)ccc1OC	752968984	XJCIVEJIJMQABN-CQSZACIVSA-N	423.300	4.509	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	754403777	HPZQZNYCXTXZDV-RABLLNBGSA-N	420.884	4.985	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)Nc1ccc(C(F)(F)C(F)(F)F)cc1	756443169	HIROZRPVSPLUAW-UHFFFAOYSA-N	413.302	4.553	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3ccc4c(c3)ncn4C)n2)c1	761199057	AWMYDUSKVJCHFC-RQZCQDPDSA-N	413.506	4.859	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)CCN2c3ccccc3Sc3ccccc32)c1	768696448	XKQVANNUJFMEQJ-UHFFFAOYSA-N	421.913	4.743	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1cc(C(F)(F)F)cnc1O	769978018	KNRRCROHLOCJEY-UHFFFAOYSA-N	415.586	4.915	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(Br)c(F)c2)cnn1-c1ccccc1	771682451	UCJLBOFWMYNLQE-UHFFFAOYSA-N	417.282	4.654	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)ccc1OC(=O)c1ccccc1F	772180009	UFZBXMJEQOCKAB-GZTJUZNOSA-N	419.383	4.982	50	20	HJGD	
CCc1nc2ccccc2c(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)c1C	773954585	SHBCABUAVVHBFY-UHFFFAOYSA-N	407.861	4.566	50	20	HJGD	
C[C@H]1C[C@H](CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO1	778065038	QUMDWBVIROSTJE-NWDGAFQWSA-N	409.442	4.828	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[C@@H](Br)C(C)(C)C)cc1	781099611	RVNJPENUYCBLJP-XJKSGUPXSA-N	412.372	4.547	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C(=O)Nc1cccc(SC(F)F)c1	784878732	KDBDXKRLIGDNGR-UHFFFAOYSA-N	424.231	4.529	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1	785254153	GZWQRWHLTIWNAO-RHTHQAGFSA-N	413.452	4.862	50	20	HJGD	
O=C(Nc1ccc(Cl)cc1)Nc1ccc(NS(=O)(=O)CCCCCl)cc1	788061018	MVXYECFNNFNWQX-UHFFFAOYSA-N	416.330	4.745	50	20	HJGD	
Cc1sc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1C	799407881	FBWGIZMDFWRMNM-UHFFFAOYSA-N	422.131	4.509	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1ccc(-c2cccc3cccnc23)cc1	803115397	SCEIJDXAHZQZFO-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(-c2cccc3cccnc23)cc1	803430434	DTGVVYALGVQPOT-UHFFFAOYSA-N	406.445	4.500	50	20	HJGD	
Cc1n[nH]cc1C1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)CC1	803637526	QJXXBEBWWBMJKR-HMAPJEAMSA-N	419.573	4.955	50	20	HJGD	
O=S(=O)(NC[C@H]1COc2ccccc21)c1ccc(S(F)(F)(F)(F)F)cc1	808347778	BKNJAANFBAVGQQ-NSHDSACASA-N	415.405	4.799	50	20	HJGD	
Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812241490	FJOAUFKAVJCMCL-ZROIWOOFSA-N	424.258	4.619	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(Oc2cncc(Cl)c2)CC1	816683729	VZWNSGFMDUAAJT-QGZVFWFLSA-N	400.997	4.819	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)[C@H](C)c1ccc(F)cc1	916486218	DGHHCAVEGOQXSR-QLCJNQITSA-N	411.521	4.968	50	20	HJGD	
CCc1cccc(Oc2ccc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)cn2)c1	918592315	CSTAUVBOFXSWND-ODLFYWEKSA-N	411.465	4.501	50	20	HJGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	918689827	FEVXHVXZHCBRLX-UHFFFAOYSA-N	402.372	4.629	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccccc1OC1CCCC1	920369887	BHLLRYRUPPPWJM-UHFFFAOYSA-N	405.523	4.824	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)cc1	921259606	VSGYIJWNPPWODN-DHDCSXOGSA-N	420.387	4.539	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1	1786898165	UZVRABARVNVQNT-UHFFFAOYSA-N	402.922	4.611	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccnc3)cc2)CCC1	1786921064	HTVZNEKVYSDLQS-BESKYLIDSA-N	411.933	4.636	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1ccc2cc[nH]c2c1	1788915161	UJVAEGYWERKLRU-UHFFFAOYSA-N	416.308	4.719	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(N(C)C)c3)CCC2)cc1	1790489569	GPWCGVQQOCAWNV-HXUWFJFHSA-N	413.949	4.518	50	20	HJGD	
Cc1occc1C(=O)NC1(c2ccc(NC(=O)[C@](C)(Cl)CCl)cc2)CCC1	1790491889	NMZXUEXYVFMUHV-LJQANCHMSA-N	409.313	4.572	50	20	HJGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl)[C@@H]1C[C@@H]1F	1800010132	HMAOYCRAHSBGLW-IVDHNXQLSA-N	414.993	4.732	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](Cl)CCC)n[nH]1	1815314180	GGXHTTGHMDAHME-FUHWJXTLSA-N	406.958	4.578	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2C)CC1	1824617910	IUEMTSZLWNIBJX-VXKWHMMOSA-N	419.009	4.944	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC)cc2)CC1	1830070193	KJVIERWHMJSBTN-YADHBBJMSA-N	419.009	4.890	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCCCc2nc3ccccc3s2)c(C)c1	28616685	DURSOHHJKORSEA-UHFFFAOYSA-N	412.584	4.644	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(c2nc(-c3ccccn3)no2)CC1	726563754	GOIPQQMFENOVQS-MRXNPFEDSA-N	418.588	4.552	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(C(C)C)o2)c1C	726988512	RAQVEDIDNDDUQG-YBFXNURJSA-N	404.470	4.559	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](COCC(C)C)c2ccco2)c(C)n1CC(C)C	727055192	JTUWBDSYFJCIHQ-ZXJHQIPZSA-N	411.546	4.791	50	20	HJGD	
O=C(CCc1cccc(OC2CCCC2)c1)NNC(=O)c1ccc2ccccc2c1	727674320	QQJIQRBUHLAPTG-UHFFFAOYSA-N	402.494	4.555	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cncc2ccccc12	731478077	ZJZKORJBQYSNOZ-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
CCOc1nnc(COC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)s1	733412973	YVZSQYMCTDJTCC-BOPFTXTBSA-N	414.531	4.511	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1	733888837	HGWKTDZCSHVYSN-UHFFFAOYSA-N	407.905	4.614	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1oc2ccccc2c1CSc1ncccn1	735692981	VYOVFCBKSBTSIF-UHFFFAOYSA-N	412.421	4.550	50	20	HJGD	
CCc1cnc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)s1	742805088	OTTHPJRHWGXNOF-YBFXNURJSA-N	404.539	4.645	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)NNc3ccc(Cl)nc3)s2)cc1	745807351	AMOQWUNKCAXQNO-ZDUSSCGKSA-N	401.923	4.863	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(N3CCCC3=O)c2)c1C	747648972	CZMDSAAFMBQCGO-ZHZULCJRSA-N	404.514	4.578	50	20	HJGD	
Cc1ccccc1-c1cc(C(=O)NNc2cccc(C#N)c2)c2cnn(C(C)C)c2n1	748029558	HETQPLYPEGRBPJ-UHFFFAOYSA-N	410.481	4.616	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc([N+](=O)[O-])c(O)c3)n2)c1	748145847	AWTXPYDERPDLKO-NVNXTCNLSA-N	420.450	4.586	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1C	753371523	ZENZCQHBEAPVDU-WWCPAIPISA-N	405.542	4.706	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCO[C@H](c3ccco3)C2)c(C)n1C1CCCCC1	753649668	UWODKQVPUXRGOZ-YSSBIZNGSA-N	407.514	4.710	50	20	HJGD	
C[C@@H](Oc1ccccc1NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccccc1	756587834	CUJNPSNWPIKPBV-MRXNPFEDSA-N	414.465	4.774	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)Nc1ccc(Oc2ccc(Cl)cn2)cc1	756790051	LFLANZREQBASFG-UHFFFAOYSA-N	422.828	4.740	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(OC)c(Cl)c2)c1C	761811453	GJHXMYAISLZJNI-RPJLVFAOSA-N	416.905	4.625	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc3ccc(Br)cc3n2)c1	771520552	MVVONRRQXMISEM-NTEUORMPSA-N	408.255	4.552	50	20	HJGD	
N#C/C(=C/c1cc2ccccc2nc1N1CCOCC1)C(=O)c1ccc(Cl)cc1F	773166027	WALHKEHAGKREDC-ATVHPVEESA-N	421.859	4.654	50	20	HJGD	
CCOC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773250249	APWRLFUSKBGAJC-LBPRGKRZSA-N	416.412	4.558	50	20	HJGD	
O=C(NCC[C@H](O)c1ccccc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773344052	KTYPPARNZPTYLC-HNNXBMFYSA-N	424.391	4.522	50	20	HJGD	
C[C@]1(C(=O)O)CCCC[C@H]1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776637910	ICEBMKDLAUMXAK-OCCSQVGLSA-N	423.425	4.656	50	20	HJGD	
CC(C)Oc1ccc(-c2nc(C(=O)NNc3ccc4ccccc4n3)cs2)cc1	777463342	QGRIBOOOMNHOHR-UHFFFAOYSA-N	404.495	4.902	50	20	HJGD	
COC[C@H]1CCCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	778074030	VLQXQFQUJHFNLN-LBPRGKRZSA-N	409.442	4.781	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3ccc(Br)s3)s2)cc1	782752513	VWMODEOASPIKGA-UHFFFAOYSA-N	404.314	4.868	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H]1C1CCOCC1	782984918	WRPJDOQPJAAEKN-OAHLLOKOSA-N	421.453	4.924	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1	785218004	AJUOMFNCHJROMO-LICLKQGHSA-N	407.832	4.999	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	787370547	ADPJUIQNJXEQGO-VBKFSLOCSA-N	417.852	4.844	50	20	HJGD	
COc1cc(NNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)ccc1Cl	789155071	NAIGTHALWFGETN-AWEZNQCLSA-N	405.779	4.808	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCCO2)c1cnc2ccccc2n1	790231043	JZCUSKUUBFUMMZ-RIYZIHGNSA-N	408.255	4.618	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c(C)n1C1CCCCC1	792534472	PGGKXCRLJMMTEQ-HRVJUDJTSA-N	421.545	4.773	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1	792869421	CCNKSQCHUUAJFF-SFTDATJTSA-N	423.695	4.750	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCc3ccc(F)cc32)c(C)n1C[C@H]1CCCO1	794058866	IUNCSCZJIUDASH-GKUXQHQJSA-N	421.516	4.524	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2c(-c3cccc(Cl)c3)noc2C)c1C	794915582	JIWFJQCHJOJDBT-UHFFFAOYSA-N	414.918	4.552	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(C(C)(C)C)nc2)c1C	797293406	CGQJKKCWGCSAKU-RYFGYPJOSA-N	409.530	4.655	50	20	HJGD	
COCCCn1nccc1/C=C(\C#N)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12	801647314	JJJMADAGNPMPOP-LVZFUZTISA-N	424.504	4.868	50	20	HJGD	
CCCc1csc(NC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)n1	806393276	GFVJRMBHZHGLOG-UHFFFAOYSA-N	422.436	4.720	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3cc4ccccc4o3)cc2)n1	812380917	LWMZJGJNZKPORO-UHFFFAOYSA-N	416.506	4.896	50	20	HJGD	
COc1ccc(Cl)c(NC(=O)NN=C(C)c2nc3ccccc3n2C(F)F)c1	814991746	WUBWCBGSHMJLFK-UHFFFAOYSA-N	407.808	4.639	50	20	HJGD	
Cn1c(=O)oc2cc(CNc3ccccc3S[C@@H](Cl)C(F)(F)F)ccc21	816525274	MQHAPKMIDHHYNM-OAHLLOKOSA-N	402.825	4.963	50	20	HJGD	
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1ccc(F)cc1F	876982496	AZZSLFZDOJHNJY-UHFFFAOYSA-N	420.419	4.583	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cn(Cc2ccccc2)nc1-c1cccs1	876985883	TWOCNLDKXUVFAL-UHFFFAOYSA-N	410.449	4.695	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)COc3cccc(C)c3)s2)cc1	915928525	DEXIYPMGCWOKBW-UHFFFAOYSA-N	414.918	4.686	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)c(C)c1	916358752	ZOFHRAWUMYVHKB-UHFFFAOYSA-N	423.948	4.630	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c(C)n1CC(C)C	916480433	YVLFUKQDEQOBNH-MTJSOVHGSA-N	420.557	4.835	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NNC(=S)Nc1ccccc1Oc1ccccc1	917572461	NDALTJBZBVOKLE-UHFFFAOYSA-N	411.914	4.693	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@H](Cc1ccccc1)c1ccccc1	918013729	QSUMLAYLHQWMIU-XMMPIXPASA-N	409.489	4.768	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1c2ccccc2C[C@@H]1O	918205233	JWGZHIHILFMGKZ-IMJJTQAJSA-N	416.852	4.686	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2ccc(Br)cc2)c(C)n1CC(C)C	919746041	RJHNMJWHSNUXHX-LICLKQGHSA-N	415.335	4.574	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C3CCSCC3)CCC2)cc1	1786447348	JMYJSCFELGMGNN-GOSISDBHSA-N	408.995	4.671	50	20	HJGD	
Cc1ccc(C)c(CC(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)c1	1788588027	VRJXATDTILYNFA-FQEVSTJZSA-N	402.897	4.514	50	20	HJGD	
CC(=O)N[C@@H]1CCc2nc(NC(=O)CCCCCCCCCCCl)sc2C1	1822782103	OJMHVHVPVNFVDI-MRXNPFEDSA-N	414.015	4.825	50	20	HJGD	
Cc1cscc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824012880	YIWXMHRVWKUXFJ-SFHVURJKSA-N	411.011	4.555	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1	1824014655	GQIRKCCICAXZIL-AUSIDOKSSA-N	409.014	4.618	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c1	7158486	ZRNODUDMQPPVGG-XSFVSMFZSA-N	405.461	4.788	50	20	HJGD	
COc1ccc(C(=O)NN=C(C)c2sc(-c3ccc(C)cc3)nc2C)cc1OC	727650367	JYGGNKKHKSXAER-UHFFFAOYSA-N	409.511	4.598	50	20	HJGD	
CCSc1ccc([C@@H](C)NC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1	728944531	FLAOTSOWTMEHJY-ZIAGYGMSSA-N	417.600	4.690	50	20	HJGD	
CCC(CC)CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	729433757	STGQGWYODPTWLP-PDGQHHTCSA-N	409.921	4.577	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1ccc2ccccc2n1	731477517	IYVYEDAMZUSRIM-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)C(=O)Nc2ccccc2)c(C)n1C1CCCCC1	732542312	KMUZOUDSHDWSRS-IGCAKMCNSA-N	418.541	4.661	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)N(Cc1cccs1)Cc1cccs1	733346277	ORSXERSLXRWKSN-UHFFFAOYSA-N	413.568	4.576	50	20	HJGD	
Cc1cc(NNC(=O)C[C@H](c2ccccc2)C(F)(F)F)ccc1Br	734254682	DSPZVFOKUGVXOF-CQSZACIVSA-N	401.226	4.937	50	20	HJGD	
C[C@H](CCC1CCCCC1)NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	734517717	USEMVELKGNAXFU-QGZVFWFLSA-N	413.518	4.552	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1Br	739424775	KVSRSWKFIMZAKB-YRNVUSSQSA-N	406.623	4.556	50	20	HJGD	
O=C(NNC(=O)c1cccc(Br)c1)Nc1ccc(-c2ccccc2)cc1	743813273	VCNXWDNVXBQKBH-UHFFFAOYSA-N	410.271	4.583	50	20	HJGD	
COc1ccc([C@@H](NC(=O)NNC(=O)CC(C)(C)C)c2ccccc2Cl)c(C)c1	745912720	WMSUYRNYONZSLD-HXUWFJFHSA-N	417.937	4.513	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1cc(Oc2ccccc2)ccn1	745952407	STZDMONLROLWPF-UHFFFAOYSA-N	415.199	4.764	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)c1cccc2cccnc12	747362119	NNYDJVHVGWKXLX-UHFFFAOYSA-N	417.900	4.514	50	20	HJGD	
N#Cc1ccc(OCc2ccc(C(=O)NNc3ccc(C(F)(F)F)cc3)o2)cc1	747609068	IRGWYRMPIUCORX-UHFFFAOYSA-N	401.344	4.506	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CC#N)C2CC2)c(C)n1-c1cccc(C(F)(F)F)c1	747649314	JUSMPGXUPDOXFW-GZTJUZNOSA-N	412.415	4.535	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2csc(Nc3ccc(OC)cc3)n2)cc1	747874009	RBIOHFHSRVRESQ-WJDWOHSUSA-N	421.478	4.554	50	20	HJGD	
O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NNc1ccc(Cl)cc1Cl	748019065	VJQQYQOYCSVTOH-UHFFFAOYSA-N	417.252	4.866	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1	748669093	BRRCIAMJVNXMRT-UHFFFAOYSA-N	409.490	4.665	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCc1nc(O)c2ccccc2n1	748670267	QUNVXVHWEXJCHZ-UHFFFAOYSA-N	420.538	4.995	50	20	HJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3nc(-c4ccccn4)nc(C)c3C)c2c1	751391717	RREYHMBVBRQIMS-UHFFFAOYSA-N	424.508	4.646	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc1	754321270	PJVYHIGBAHCXFG-QTCOBDOFSA-N	414.509	4.672	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(-c4ccccc4)nn3)sc2C)cc1	754469865	QQVVKSDNTKRFDX-UHFFFAOYSA-N	416.506	4.946	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3n2C2CC2)c1C	755152266	RPRYXHRPQBESDL-PUMYGXPMSA-N	417.513	4.543	50	20	HJGD	
CC(C)(C)c1ccc(-c2ccc(C(=O)NNc3ccc(C(F)(F)F)nn3)o2)cc1	755197221	DNBVTHNRYLEJBR-UHFFFAOYSA-N	404.392	4.810	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)Nc3cccc(Oc4ccncc4)c3)cc2C1	756545370	LZBDQNZSSJUGIU-CQSZACIVSA-N	422.510	4.527	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	760653135	KCRROFGCWITLAN-DYXWJJEUSA-N	411.608	4.730	50	20	HJGD	
O=C(CCCCCNC(=O)NC1CCCCC1)NNc1c(Cl)cccc1Cl	763625386	XMWXJLODHQOWFG-UHFFFAOYSA-N	415.365	4.629	50	20	HJGD	
COc1ccc(C(C)(C)C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1OC	768009990	ZGIKCNCXMKDGMG-UHFFFAOYSA-N	401.265	4.571	50	20	HJGD	
C[C@@H](CBr)COC(=O)c1ccsc1NC(=O)c1ccccc1Cl	770374144	WIBWDTNTYVIRAY-JTQLQIEISA-N	416.724	4.842	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(Cl)c1F	772805894	LMOIZTNSXBKIFY-UHFFFAOYSA-N	403.668	4.525	50	20	HJGD	
O=C(NCCNc1ccccc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773628565	YKLRIQGDOVYNQG-UHFFFAOYSA-N	409.380	4.511	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cc(Cl)cc(C(F)(F)F)c1	778815815	SBRWNTYTTGFRFR-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1nc2ccccc2[nH]1	782122816	DIVGABYLUSFPBC-UHFFFAOYSA-N	402.241	4.590	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)c(-c2ccncc2)n1	788357031	YNQCBJHYGFKQEN-BOPFTXTBSA-N	421.382	4.667	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1C	790085481	OKAKORBNAGLRAI-PXLXIMEGSA-N	407.558	4.614	50	20	HJGD	
CNC(=O)COc1cccc(CC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	792547903	ULASPLVGUYXYTC-UHFFFAOYSA-N	424.391	4.650	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1C(F)(F)F	794870029	QMVQPCYRPBPAHQ-RVDMUPIBSA-N	403.404	4.716	50	20	HJGD	
COCc1nc(C(=O)NNc2nc3ccccc3cc2C)c(-c2ccccc2)s1	799716979	CQDLLTVBZJPTKQ-UHFFFAOYSA-N	404.495	4.570	50	20	HJGD	
O=S(=O)(N[C@@H]1CCCC12CCOCC2)c1cccc(S(F)(F)(F)(F)F)c1	800166659	STQLUULIRPKIOW-CQSZACIVSA-N	421.453	4.972	50	20	HJGD	
CC(C)(C)c1ncsc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804207472	RIMTZPDDYSHCMK-UHFFFAOYSA-N	421.448	4.673	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1ccc(CSc2nc3ccccc3s2)cc1	804769679	QLBJYUXTEQAZOC-UHFFFAOYSA-N	410.499	4.880	50	20	HJGD	
CC(C)c1ccc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)nc1	810022488	OMOOQERSIPQZEB-UHFFFAOYSA-N	416.856	4.509	50	20	HJGD	
Fc1ccc(CN2CCC(NCc3ccc(OCCCCl)cc3)CC2)cc1F	811474010	BMEBIZFXBPHBOY-UHFFFAOYSA-N	408.920	4.727	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	815844135	ALLAFSQTKOBPAL-LWWSYDQCSA-N	410.408	4.787	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccccc2OCc2ccccn2)c1	819843004	RWDNPARSXUAVRL-UHFFFAOYSA-N	417.509	4.622	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c1C	904158907	IBROSQDLGVTBJS-ZHZULCJRSA-N	421.545	4.981	50	20	HJGD	
CC[C@H](C)c1ccc([C@H](NC(=O)NNC(=O)c2ccccc2)c2cccs2)cc1	916207027	WRIFQPYXWYZNPH-KKSFZXQISA-N	407.539	4.995	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(N2CCCCC2)s1	916302098	NNKHQRHYCOLKCN-UHFFFAOYSA-N	416.597	4.591	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1	918713588	OOVUXQANFNLDGH-QPEQYQDCSA-N	413.264	4.938	50	20	HJGD	
Nc1cnnc(NNC(=O)c2cc(Cl)ccc2Oc2cccc(Cl)c2)c1Cl	1329034911	BXQPSSRACIURDJ-UHFFFAOYSA-N	424.675	4.568	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Br)CCC2)cc1	1789456227	MKPLRKYNTOKWOS-DLBZAZTESA-N	423.326	4.579	50	20	HJGD	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H](F)Br)cc2)CCC1	1790533332	QJVBDXOMVKZCCG-KRWDZBQOSA-N	423.326	4.579	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](Cl)CCC)n[nH]1	1815319436	JNXDPTXVHLLRSN-RYRKJORJSA-N	406.958	4.578	50	20	HJGD	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)NNc1cccc(C(F)(F)F)c1	110959156	LBCZLNFTPAVCNF-UHFFFAOYSA-N	409.795	4.915	50	20	HJGD	
CC(C)CC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	726119735	BVGLOKRVDNMBLA-QGOAFFKASA-N	400.438	4.970	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	726851980	YZTJKSCEMKMOOI-MRXNPFEDSA-N	413.827	4.844	50	20	HJGD	
C[C@@H](C#N)Oc1ccc(C=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)cc1	727683016	APMQPHIXLZPQMW-ZDUSSCGKSA-N	424.913	4.705	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl	727791799	WZSCGBMPSKWLIL-UWVGGRQHSA-N	418.107	4.865	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c(C)n1CC(C)C	728497949	LWCJHDYTYIGSPW-RGVLZGJSSA-N	404.514	4.581	50	20	HJGD	
CC(Cc1cccs1)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	729632874	JCTMMZBTBVWAKL-UHFFFAOYSA-N	410.568	4.796	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3nccnc3Cl)c3ccccc3n2)c(C)c1	734261195	BORIZLFMXCQVKK-UHFFFAOYSA-N	403.873	4.719	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNc3ccc(Br)c(C)c3)c2)n1	740086437	XJVCZJUWBYRVPW-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
CC(C)N1CC[C@@H](CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	743359864	YLQIBOYGYUEARY-SWLSCSKDSA-N	409.905	4.758	50	20	HJGD	
CCc1cc(NNC(=O)C2CCC(c3ccccc3)CC2)nc(-c2ccccn2)n1	743377372	OLSBDDQUVSAWQD-UHFFFAOYSA-N	401.514	4.518	50	20	HJGD	
CCn1c([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)nc2ccccc21	743730523	QOQPXSISBIPNLL-LANLRWRYSA-N	417.557	4.915	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	744371859	IOIFWGJBWOLMGV-UHFFFAOYSA-N	405.285	4.832	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1O[C@H](C)C(=O)N(C)C	747440736	UEEWFPBQFDLCEV-ZXMBATIKSA-N	413.543	4.585	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCCC(C)C)c2)cc1OC	747612642	HLKGRFJPWIEACK-LDADJPATSA-N	424.497	4.683	50	20	HJGD	
O=C(CSc1cccs1)Nc1ccc(C(=O)NNc2ccccc2Cl)cc1	748331640	HGQHTOMPYWHAQR-UHFFFAOYSA-N	417.943	4.889	50	20	HJGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1ccc(OCC(F)(F)F)cc1	748702166	OIEIMCATCBKJFA-HNNXBMFYSA-N	406.326	4.807	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)c1cc2ccccc2o1	749833088	YCHVVTDPTHCWKC-UHFFFAOYSA-N	413.264	4.998	50	20	HJGD	
CCCOc1ccc(Cl)cc1C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	750305653	LZDBPGVAQZQTPH-UHFFFAOYSA-N	421.950	4.547	50	20	HJGD	
Cc1sc(C(=O)NNc2ccc(Br)nc2)cc1-c1ccc(F)cc1	755795221	FGSVRISQBMPAEE-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
CCCCCCOCc1cccc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)c1	756239746	KTQFUBGFZGNYGS-UHFFFAOYSA-N	408.502	4.731	50	20	HJGD	
O=C(O)Cc1ccc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762457197	QGDLYVHXOIRLOY-UHFFFAOYSA-N	417.377	4.772	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCCO)cc2)c(C)n1C1CCCCC1	763060228	YQUMGOLUSBDHLZ-HKWRFOASSA-N	407.514	4.527	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)NC1CCC2(CC1)CC2	765869869	CILMAFGATJRFEB-INIZCTEOSA-N	420.884	4.683	50	20	HJGD	
Cc1nn2c(C=NNC(=O)c3cc4c(s3)CCCCCC4)c(C(C)C)nc2s1	766689503	GHWLXCSQSBKQQQ-UHFFFAOYSA-N	415.588	4.707	50	20	HJGD	
O=C(NN=C(c1ccccc1)c1ccccc1)c1ccccc1COC1CCOCC1	767811600	SYCQDEWHZIPNPZ-UHFFFAOYSA-N	414.505	4.565	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NNc1c(F)cccc1Cl	770196956	BECJEOODOHPNNU-UHFFFAOYSA-N	407.276	4.751	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1C	772147577	GHYDRNFPEHCLPU-LYUVJKPTSA-N	420.513	4.517	50	20	HJGD	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NNc1cccc(Cl)c1	773744705	QQIRGPRRDKYOQD-MRXNPFEDSA-N	423.900	4.870	50	20	HJGD	
COc1cc(/C(C#N)=C/c2cc(Cl)ccc2OC[C@H]2CCCO2)ccc1[N+](=O)[O-]	774563213	XXAIMRGUEJVAID-QJKHOBJASA-N	414.845	4.879	50	20	HJGD	
CCOc1ccc([C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C(C)C)cc1OCC	776617937	WBVMOINMAYPKHT-FMTUWFKASA-N	408.498	4.610	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)nc1	781534212	WWYDMAHRCGYBKE-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
O=C(Nc1nc(-c2ccccc2)cs1)C(=O)NN(c1ccccc1)c1ccccc1	782821104	HVDGUBIFIKFKDH-UHFFFAOYSA-N	414.490	4.618	50	20	HJGD	
CCCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	790165625	FNPBZGHYKKWUEK-CFKHXJFWSA-N	407.558	4.967	50	20	HJGD	
Cc1cnn(C)c1/C=C(\C#N)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	794685358	FUPDHKMMHGWNTF-MHWRWJLKSA-N	410.424	4.527	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCc1ncc(-c2ccccc2Cl)o1	798142842	ARIPMDSNYICPNI-UHFFFAOYSA-N	420.300	4.638	50	20	HJGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCO1	802072944	ULPJUDOLQRNLCI-QMTHXVAHSA-N	422.740	4.641	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1Cc2ccccc2CO1	805137306	ULZRSLGKUZFSBB-UHFFFAOYSA-N	401.378	4.980	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F	813050327	WUPVXNFABVHQFI-CQSZACIVSA-N	423.435	4.530	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC[C@H]2CCCCC(F)(F)C2)c1C	814130119	NWDXAVMWBYCIKO-CKPQFGHFSA-N	407.505	4.551	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]nc1-c1ccccc1	817014289	AERWWYCCCICDKF-UHFFFAOYSA-N	414.309	4.871	50	20	HJGD	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(C)(=O)=O)cc1	916132372	ALEMAAPWDUGBKM-STZFKDTASA-N	423.563	4.950	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl)O[C@H](C)C2	916549673	YBNCYJVXVDASGY-MQOXYSQQSA-N	403.265	4.871	50	20	HJGD	
O=C(Nc1ccc(CN2CCCC2=O)cc1)NN(Cc1ccccc1)c1ccccc1	916682479	PEJVLJWYOBDXKP-UHFFFAOYSA-N	414.509	4.552	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)[C@H](C#N)c2ccc3ccccc3n2)c(C)n1C[C@H]1CCCO1	916848703	NQPBPNZEXIQAII-UGVYFQEVSA-N	424.504	4.616	50	20	HJGD	
CC(C)Oc1ccccc1CNC(=O)NNc1nc(Cl)c(Cl)cc1Cl	918128892	YQWGJAWWAUEBID-UHFFFAOYSA-N	403.697	4.655	50	20	HJGD	
CCc1cc(SC#N)ccc1NC=C1C(=O)CC(c2cccc(OC)c2)CC1=O	920978922	OYCVQIMCDQWJNS-UHFFFAOYSA-N	406.507	4.842	50	20	HJGD	
O=C(NN=Cc1ccc(OCCBr)c(Cl)c1)c1ccccc1Cl	1116285337	DTOCYQUFMLNHPM-UHFFFAOYSA-N	416.102	4.531	50	20	HJGD	
O=C(NC[C@H](CO)CC1CCOCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	1321228339	XDBOMGMXIBQKAO-CYBMUJFWSA-N	418.428	4.891	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)cc1O	1786013099	XDRMPHHQVHVACS-UHFFFAOYSA-N	414.933	4.713	50	20	HJGD	
Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)cc1C	1824014411	MZDMHBZUKVLRBE-OAQYLSRUSA-N	419.009	4.802	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2F)CC1	1824608982	FLUJFKIDNNAUBZ-DOTOQJQBSA-N	414.974	4.528	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2C)CC1	1829945310	IKBDTMUCLIVWKY-YADHBBJMSA-N	419.009	4.944	50	20	HJGD	
CC(C)OCc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1	8009487	OCXMQLQLMXTIPS-UHFFFAOYSA-N	412.486	4.554	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1	28912230	HGBHCWXJFQYJAA-LFIBNONCSA-N	424.863	4.587	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\C1=Cc2cc(Cl)cc(Cl)c2OC1	60330729	UYVFAXCQKKTXMT-AUWJEWJLSA-N	401.249	4.866	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OC	213433940	XJUJRGJKAVIJEN-UVTDQMKNSA-N	404.438	4.954	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccccc1Oc1ccccc1	725876187	ZUUJJQRTOWZHSH-INIZCTEOSA-N	414.465	4.665	50	20	HJGD	
C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc(CCCCl)cc1	726975741	BZPMAYBGOLSCKV-AWEZNQCLSA-N	408.976	4.849	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)c1nc(N)nc(Nc2ccccc2)n1	727435128	QFFVDVDHBGMUTI-WQLSENKSSA-N	416.794	4.934	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1C[C@@H]1c1cccc(Br)c1	729515473	ZWCMFMHVNLSTJF-HZPDHXFCSA-N	416.706	4.898	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)NCc2ccccc2Sc2ccccc2)cc(C#N)n1C	730558585	LHKXLJYKTOLNEG-NDENLUEZSA-N	412.518	4.580	50	20	HJGD	
COc1cc(C2(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])CCCC2)ccc1C	731002194	CCBFUJHSPOJHKG-UHFFFAOYSA-N	403.866	4.520	50	20	HJGD	
N#Cc1ccccc1OCc1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1	734099003	NSFDTMBCLVPJOV-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
N#Cc1cccc(OCc2cccc(C(=O)NNc3nccc4sccc34)c2)c1	734550579	SHKHOPKQAIRDTH-UHFFFAOYSA-N	400.463	4.504	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cnn(CC(F)F)c2)c(C)n1C1CCCCC1	735065061	CCQKMABFKQSOER-RQZCQDPDSA-N	401.461	4.617	50	20	HJGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1	737544596	XRXLJPNHUSEWBZ-LBPRGKRZSA-N	423.738	4.620	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2)o1)Oc1ccc([N+](=O)[O-])cc1Br	739313445	DERCOUQEYLOPAI-UHFFFAOYSA-N	417.215	4.551	50	20	HJGD	
CC(C)=CCSc1ccccc1C(=O)NNc1nc(-c2ccccn2)nc(C)c1C	741287613	WJYXRUYOHVAPCG-UHFFFAOYSA-N	419.554	4.971	50	20	HJGD	
CC(=O)Nc1ccccc1CNC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	741643008	DWMKWZHRXWACKX-HYARGMPZSA-N	418.541	4.792	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=S)Nc2ccc(SC(F)F)cc2)c(Cl)c1	741856522	OHXIZBAESCUUCV-UHFFFAOYSA-N	416.906	4.986	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccccc1SC(F)(F)F	748199556	OQYCAJITJIYRSP-UHFFFAOYSA-N	409.202	4.957	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1	748750337	FVDSHUPTQHMMSY-LBPRGKRZSA-N	419.348	4.571	50	20	HJGD	
CCOc1cc(C(=O)NN=C(C)c2ccc3ccccc3n2)cc(OCC)c1OCC	749806482	DEHCSRVRZPJOOK-UHFFFAOYSA-N	421.497	4.585	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)cc1	767256754	VGGHNGCSVUACKM-MDWZMJQESA-N	402.328	4.506	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccccc1COC1CCOCC1	769706263	ODWPKQUGAYXPPI-UHFFFAOYSA-N	407.422	4.663	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)Nc1ccc(-c2csnn2)cc1	769978832	YYWVPZBXKYDFGX-UHFFFAOYSA-N	424.711	4.770	50	20	HJGD	
CCCC(=O)Nc1cccc(NC(=O)NNc2ccc(F)cc2Br)c1C	769984400	ZVMPJRUBAJVHDR-UHFFFAOYSA-N	423.286	4.784	50	20	HJGD	
C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NNc2ccc3ccccc3n2)C1	775480723	FDEKRLOLPFDXKC-CALCHBBNSA-N	417.513	4.502	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)cc1OCCCC#N	776259489	KBJIHRHFMNGHOU-SFQUDFHCSA-N	412.392	4.769	50	20	HJGD	
Cc1cc(C(=O)NNc2nc3ccccc3cc2C)nc(-c2ccc(Cl)cc2)n1	777479765	PWBVEKGPAAGUGO-UHFFFAOYSA-N	403.873	4.719	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)CCCCC(=O)c1ccc(F)cc1	779011466	JTISQFTWQJCMAM-UHFFFAOYSA-N	407.283	4.783	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cccnc1Sc1ccccc1	779218310	XLHYXFOJPPFTPM-UHFFFAOYSA-N	405.401	4.888	50	20	HJGD	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NNc1ccc(F)c(F)c1F	782752446	SLLZVMIEEWHWHH-UHFFFAOYSA-N	415.293	4.843	50	20	HJGD	
Cc1c(Cc2ccc3c(c2)OCO3)sc2nc(CSCCCCl)nc(O)c12	782891583	COYHXLCSYIWAMF-UHFFFAOYSA-N	422.959	4.887	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1	784824420	MBYYWIPPDJAZJN-UHFFFAOYSA-N	415.371	4.580	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cn3ccccc3n2)c(C)n1C1CCCCC1	786419639	IKAVWKHGOWGMHM-DEDYPNTBSA-N	402.498	4.908	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3cccc(F)c3[N+](=O)[O-])cc2)cs1	790588226	DRFUTEGCBLHWMO-UHFFFAOYSA-N	418.475	4.548	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	790591200	JESYLQYKQAXPIK-RTBURBONSA-N	421.428	4.560	50	20	HJGD	
CCN(Cc1ccccc1)c1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1	791070707	QWAGWVUQJGMKAF-UHFFFAOYSA-N	408.433	4.517	50	20	HJGD	
CC(C)(C)OC(=O)NCC1CCC(=NNC(=O)c2cc3c(s2)CCCCC3)CC1	794888660	RUBPANCQUPLVFO-UHFFFAOYSA-N	419.591	4.818	50	20	HJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)s1	797398380	HFRRPSNAGPFPNM-WUXMJOGZSA-N	421.316	4.731	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C	798313984	ZWVVPLLANIHYKA-UHFFFAOYSA-N	419.268	4.732	50	20	HJGD	
CC(C)c1occc1C(=O)NNc1c(Br)cccc1Br	801501811	PWMIYFXQCZWKAP-UHFFFAOYSA-N	402.086	4.685	50	20	HJGD	
C[C@H]1C[C@@H](C=NNC(=O)c2c(Cl)cccc2Cl)CCN1C(=O)OC(C)(C)C	807968628	ARNOLWKNMVUPQW-STQMWFEESA-N	414.333	4.745	50	20	HJGD	
O=C(/C=C\c1ccc(OCCCCl)cc1)c1ccc(S(=O)(=O)C(F)F)cc1	811692255	WUYKOHWVDZGCIQ-WCIBSUBMSA-N	414.857	4.587	50	20	HJGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)[C@H](C)Oc3ccc4ccccc4c3)sc2n1	874078861	WOQFXJNVIGHFKT-HNNXBMFYSA-N	418.522	4.687	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2cccc(F)c2)C(C)C)c1C	914501592	CDXNAUADVUTFMG-AIRTYWKNSA-N	411.521	4.796	50	20	HJGD	
COc1cc(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc(Cl)c1OC	915906466	NGFGLVZSJASMPE-UHFFFAOYSA-N	411.889	4.529	50	20	HJGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl	916340012	NWDDGZSVPKRGLF-LBPRGKRZSA-N	418.881	4.597	50	20	HJGD	
Cc1ccc(Cn2cc(C=NNC(=O)CC(F)(F)F)c(-c3ccc(C)cc3)n2)cc1	917550227	BTVOKUBSJDRYCE-UHFFFAOYSA-N	414.431	4.618	50	20	HJGD	
COC(=O)CC1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	918541000	DKESAMHIMATGEH-OAHLLOKOSA-N	424.872	4.713	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3ccc(C)cc3)n2)cc1OC	918713008	HXFWPAHUOUSRIZ-YBEGLDIGSA-N	405.479	4.681	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3csc(C(C)(C)C)n3)cc12	920358547	GKBLIIUZHDZGAT-UHFFFAOYSA-N	423.567	4.913	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)c2nnc(CSc3ccc(C)cc3)o2)c1C	1117217466	IQYAMSMQKNVUOK-XDHOZWIPSA-N	408.527	4.799	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)nn1	1319295422	HFSRKLRDOHFBND-UHFFFAOYSA-N	421.448	4.673	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(Sc3ccccc3C#N)cc2)nn1	1319359351	CIRBXNLOBUDUDW-UHFFFAOYSA-N	403.511	4.554	50	20	HJGD	
CC(C)c1ccc(-c2noc(CCC(=O)NNc3c(F)cccc3Cl)n2)cc1	1338233006	BKMXLCUYKYDWTR-UHFFFAOYSA-N	402.857	4.728	50	20	HJGD	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Br)CCC2)cc1	1786103373	UDAHGNYUMJELCK-KRWDZBQOSA-N	423.326	4.579	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C)CCC2)cc1	1791360556	XCEAELOWBXWIGP-QGZVFWFLSA-N	419.319	4.509	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(C)s2)CC1	1832173647	LMBKHKWWRGYWTK-RMQQFATJSA-N	423.022	4.707	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc23)cc1	5177772	MOUONKIKWCMMQV-FABDANFUSA-N	414.461	4.716	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCc2ccc(-c3ccccc3F)o2)c(C)c1	16174863	ULDRRSDGOSLQJV-UHFFFAOYSA-N	411.502	4.653	50	20	HJGD	
CN(C)CCOc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1Cl	303693548	VWTSMXCCJXTCFI-OAHLLOKOSA-N	403.013	4.933	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	727380000	DJUSTBXSHSEXOD-YESZJQIVSA-N	416.653	4.995	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nccs2)c(C)n1-c1ccc(OC(F)F)cc1	727432769	RCKGCQOVHRMETI-XNTDXEJSSA-N	414.437	4.698	50	20	HJGD	
CCN1CCC[C@H]1Cn1c(C)cc(C=NNC(=O)c2c(Cl)cccc2Cl)c1C	727779361	ZCJYAORSKMTXOV-KRWDZBQOSA-N	421.372	4.660	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl	727791801	WZSCGBMPSKWLIL-ZJUUUORDSA-N	418.107	4.865	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(Cl)ccc2OC)c1C	729361331	JBFMXZUFMGIVHJ-FNMPFJKNSA-N	416.905	4.625	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1	729966315	HVWQKOGSZZJEHJ-HXUWFJFHSA-N	412.461	4.568	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2C(=O)O)c1	731564050	ZPMHGBVABSQVAH-MOSHPQCFSA-N	412.445	4.818	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1sc(-c2ccc(Cl)s2)nc1C)c1ccccc1	731999214	MZBISEOASSSDBT-CYBMUJFWSA-N	419.959	4.788	50	20	HJGD	
Cc1ccccc1[C@@H](NC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C)C(C)C	732677002	QKTBEFNLTCGBSH-IBGZPJMESA-N	422.554	4.768	50	20	HJGD	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)nn(CCCl)c1C	733923333	DYULSBSPKBKBNN-UHFFFAOYSA-N	408.889	4.963	50	20	HJGD	
Cc1c(-c2ccccc2)oc2c(C(=O)NNc3c(F)cccc3F)cccc2c1=O	735698445	IECGSOFHERGBMC-UHFFFAOYSA-N	406.388	4.804	50	20	HJGD	
O=C(COc1cc(Cl)c(Cl)cc1Cl)NNc1cccc(C(F)(F)F)n1	740142229	MYPJPIONAWJMEW-UHFFFAOYSA-N	414.598	4.583	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)c2ccc(C(C)C)cc2)c1C	741817841	GBUZAFYUTAPFHM-JVMBGAFUSA-N	422.525	4.596	50	20	HJGD	
COCCOCc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1F	741882113	VSFZJOYMVOERSA-UHFFFAOYSA-N	421.683	4.706	50	20	HJGD	
Cn1c(C(=O)NNc2ccccc2C(F)(F)F)cc2cc(C(F)(F)F)ccc21	742516612	DZZJTJGHDOMHCE-UHFFFAOYSA-N	401.310	4.973	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(F)c(Br)c1	743336114	CLQNYOAFYIHQPL-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1cccnc1Nc1cccc(C(F)(F)F)c1	743817062	QAFBNTXTHACTAG-UHFFFAOYSA-N	407.783	4.649	50	20	HJGD	
COc1ccc(-c2ccc(CNC(=O)NNc3ccc(OC(F)F)cc3)cc2)cc1	745877181	KVNYDPXQGNOJKW-UHFFFAOYSA-N	413.424	4.790	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc(OC(F)F)c2)c1C	747919423	AEVXUFJLFQUOKU-RPJLVFAOSA-N	418.440	4.564	50	20	HJGD	
CC(C)c1cc(C(=O)NNc2ccc(F)cc2Br)nn1-c1ccccc1	748074149	QHHLEEXWKZGTBH-UHFFFAOYSA-N	417.282	4.654	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(Br)c(C)c2)cc1OC1CCCC1	752634420	PMEVIYXKUCPEAJ-UHFFFAOYSA-N	419.319	4.844	50	20	HJGD	
CC(C)(C)OCc1ccc(NC(=O)NNC(=O)Cc2ccc3ccccc3c2)cc1	757604247	OBBNAHOGCIVXOU-UHFFFAOYSA-N	405.498	4.550	50	20	HJGD	
CN1CCCC(=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1	758094551	QBHIIMYTPCSAAG-UHFFFAOYSA-N	424.595	4.790	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)c1	758927156	JFOAFUFHFVGPSZ-VXIUPONVSA-N	403.438	4.573	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1	763844000	WPDMOGNZJDQNKK-UHFFFAOYSA-N	411.855	4.687	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(N2CCCC2=O)ccc1Cl	767401854	JCPKMBTVFCVECM-UHFFFAOYSA-N	416.667	4.670	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NNc1ncc(Cl)cc1Cl	775265476	QPJKKLRRGWSDGL-UHFFFAOYSA-N	413.717	4.851	50	20	HJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3ncc(Cl)cc3Cl)c12	775270085	YVCLCYMOVGGCIU-UHFFFAOYSA-N	406.273	4.682	50	20	HJGD	
C#CCOc1cccc(Cl)c1C=NNC(=O)c1sc(-c2ccccc2)nc1C	777426834	LOCNFMJZROSHBO-UHFFFAOYSA-N	409.898	4.548	50	20	HJGD	
CN(C[C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778058829	NYZJTDBCKWFJKO-FZMZJTMJSA-N	409.442	4.516	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)cc1	780808311	FIIHBHHOUKFQQR-UHFFFAOYSA-N	418.541	4.598	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)ccc1[C@H](C)O	781004160	XHWDTGXVKMQUHE-IAFWPLRWSA-N	420.557	4.590	50	20	HJGD	
CCCn1ccc2cc(NC(=O)C(=O)NN(c3ccccc3)c3ccccc3)ccc21	782821225	HTDLIZDJAIEQQB-UHFFFAOYSA-N	412.493	4.859	50	20	HJGD	
O=C(COC(=O)CCCC[C@@H]1CCSS1)Nc1ccc(C(F)(F)F)cc1	786595788	NKGVUGHFUHRXON-CQSZACIVSA-N	407.479	4.901	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nn(C)c2Cl)cc1	787184894	YGCAXWQWWMRLDV-COYFKBPASA-N	420.900	4.533	50	20	HJGD	
N#C/C(=C/c1ccc(OCC2CC2)cc1)C(=O)Nc1nc(-c2ccncc2)cs1	790100475	PWTWXYSVLYFEKW-WQRHYEAKSA-N	402.479	4.540	50	20	HJGD	
CCCN(N=Cc1csc(N(C(C)=O)c2ccccc2)n1)C(=O)OC(C)(C)C	794996569	IQOYWDIDMJHIDC-UHFFFAOYSA-N	402.520	4.809	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CCC[C@@H]3CCOC)cc2)cc1	799866555	KULHYIIYRIIICM-LJQANCHMSA-N	410.514	4.587	50	20	HJGD	
CS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	800562010	PCSZVJJSSHQGEL-GFCCVEGCSA-N	422.441	4.775	50	20	HJGD	
O=C(NNC(=O)c1cccnc1SC(F)F)Nc1ccc(-c2ccccc2)cc1	802038951	UDPVISSLPWRCAO-UHFFFAOYSA-N	414.437	4.530	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1	812966714	VVQMQPZOEHVMOM-UHFFFAOYSA-N	407.522	4.540	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@H](O)C12CCCC2	814539708	GQLYCZFHZXZLQZ-KBPBESRZSA-N	408.873	4.817	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc2ccccc2n1	818196563	SCNBCYIRGAHBNY-UHFFFAOYSA-N	402.435	4.635	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2nccn2C)c(C)n1-c1cccc2ccccc12	843416838	YCESICBTNPJFND-PXLXIMEGSA-N	423.520	4.546	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1	857831305	RHFIUBJMVFEEFV-UHFFFAOYSA-N	403.313	4.920	50	20	HJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1OC	915848743	RXPYHAWQAWZOCQ-QPEQYQDCSA-N	421.280	4.955	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1	916605467	CNBZDVWKIVJJFA-UEXNTNOUSA-N	406.482	4.604	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)c1C	916957104	AXHDJNZJFVDYLS-XMHGGMMESA-N	417.465	4.873	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cc(Br)c2c(c1)OCCO2	917516656	CPGWOKRODUHEDM-RIYZIHGNSA-N	423.266	4.800	50	20	HJGD	
COc1ccc(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cc1O	918216410	PZVZELWYTNKHOV-OAHLLOKOSA-N	420.840	4.942	50	20	HJGD	
Cc1sc(-n2cccc2)c(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)c1C	1318768014	NBTHVUUXUYSEPS-UHFFFAOYSA-N	413.890	4.616	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1cc2sc(Nc3ccccc3)nc2s1	1321266706	VXAGRMKKGRPXIH-UHFFFAOYSA-N	410.528	4.772	50	20	HJGD	
C=C(C)COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)c1	727330819	VUCSSFWBHQMGOH-DUQUIBLKSA-N	407.514	4.813	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl	727799828	UIIFTVQHIMWTOV-VXGBXAGGSA-N	418.107	4.865	50	20	HJGD	
CC(C)(C)CCCCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	729388873	RIUKUVSNHDSKGC-SILNSSARSA-N	403.530	4.703	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2csc3ccccc23)c1C	729957988	AHKRVGMJTWBDSL-BKAYVGFPSA-N	407.539	4.750	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1	729966866	VPLFJAOKFFWZKB-FQEVSTJZSA-N	410.926	4.943	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Cl)c1	731490532	ZYSPMNYSMLVIDL-QPEQYQDCSA-N	422.815	4.853	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(OC)c2OC(F)F)c1C	734970857	JUAHDWOBDCFFRK-WQRHYEAKSA-N	418.440	4.775	50	20	HJGD	
Cc1cc(NNC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)nc(C)n1	736718533	LVAQXEXTXSNKNV-UHFFFAOYSA-N	402.376	4.661	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1	743821222	ZIINSQJWZJIXFF-KBPBESRZSA-N	412.317	4.562	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNC(=O)c1ccc(Cl)cc1Cl	744762063	LMLSDJYCPHOWGC-UHFFFAOYSA-N	405.260	4.699	50	20	HJGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)C[C@@H]1C	758101173	ZJMRHZWKYHNWNB-DOTOQJQBSA-N	419.481	4.580	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cncc(-c2ccc(C)cc2)c1	758149329	VYTIHDDFRNZRSC-UHFFFAOYSA-N	404.539	4.559	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccc(-n2nccc2C(F)(F)F)c1	763611974	BTWMNRXDNKVDJO-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1ccnn1C1CCCC1	765471061	VBGAFVIIJJBMKO-UHFFFAOYSA-N	417.229	4.536	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1	777477666	UHLHDGXVYUDBTR-UHFFFAOYSA-N	422.573	4.632	50	20	HJGD	
C[C@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c2cccnc2O1	777676481	MKHIQHLNLBPJSA-JTQLQIEISA-N	416.393	4.715	50	20	HJGD	
COC1CCC(N(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	777950975	TWICDINLRJBLBH-UHFFFAOYSA-N	409.442	4.922	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@@H]1C[C@H]1c1ccc(Br)cc1	779201676	UADIUSZUPVAJEX-QWHCGFSZSA-N	415.209	4.595	50	20	HJGD	
Cc1ccccc1CNc1ccccc1NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	779444418	WWSXFSTVZMVCSS-MTJSOVHGSA-N	409.493	4.671	50	20	HJGD	
C[C@@H](CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H](C)C1	782982673	KXKKDDBNLZKWDJ-OLZOCXBDSA-N	422.485	4.743	50	20	HJGD	
COc1cccnc1N(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782987129	IPOPCJSYOVUDBI-UHFFFAOYSA-N	404.382	4.573	50	20	HJGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)C(=O)Nc1ccc(Cl)cc1Cl	785160238	AFLXYWNRQSUKIJ-UHFFFAOYSA-N	423.687	4.585	50	20	HJGD	
CC(C)Sc1cccc(Cl)c1C=NNC(=O)c1nnc(-c2ccccc2)o1	786039759	JJUWZBNNNVOSTQ-UHFFFAOYSA-N	400.891	4.654	50	20	HJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1OCC	787156369	YUHBVDYSQVUQAP-LCJWNIEWSA-N	408.498	4.667	50	20	HJGD	
N#C/C(=C/c1ccc(OCC2CC2)cc1)c1nc(O)c2cc(Br)ccc2n1	790101513	ZGRBDKWISNSGAF-DHDCSXOGSA-N	422.282	4.951	50	20	HJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)c1ccc(Br)s1	794874313	FXDDNSUUAAXMIC-PKNBQFBNSA-N	402.248	4.625	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c(Br)c1O	794885094	OFAGKOBSYRSLRJ-GDNBJRDFSA-N	409.239	4.501	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)cc2)cs1	799522046	UARCOEDSICCZON-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(O)c3ccccc3n2)c1C	801074933	GEOYVTDVFMQLCO-NFBGKYEXSA-N	418.497	4.765	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C)c(C)n1C1CCCCC1	804562690	FHQZBMFQGHMUMW-HJFHXQFPSA-N	408.590	4.601	50	20	HJGD	
C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	807403535	HNJHJBURDOUHNU-UHFFFAOYSA-N	418.387	4.945	50	20	HJGD	
Cc1cnn([C@@H]2CCN(C(=O)Nc3ccccc3S[C@H](Cl)C(F)(F)F)C2)c1	810154184	LBFNUJCYJOHFRR-DOMZBBRYSA-N	418.872	4.890	50	20	HJGD	
CC(C)(C(=O)NNc1cc(Cl)ccn1)c1csc(-c2cc(F)ccc2F)n1	810943597	RMJHRFIMPUMGPL-UHFFFAOYSA-N	408.861	4.558	50	20	HJGD	
COc1ccc([C@H](O)C2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)cc1	812626315	OOQMUROIKQLCQT-CTNGQTDRSA-N	409.617	4.681	50	20	HJGD	
CCC(C)(C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	852999003	XQRNFKURXGKLGB-SQVRNEIYSA-N	413.562	4.754	50	20	HJGD	
Cc1nc2ccccc2nc1S[C@@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	912966104	FIJLBXUZBSDXDQ-UEMQISARSA-N	404.520	4.941	50	20	HJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)Cc1ccc(Cl)cc1	914554987	DPBHYSIPDBZWQI-UHFFFAOYSA-N	415.324	4.995	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(O)c3cc(Br)ccc3n2)c(Cl)c1	914600165	PUAVIYKMNPEGBZ-IZZDOVSWSA-N	416.662	4.824	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc(Cl)c1O	915844053	IBUUMKHLRHDLCO-AWNIVKPZSA-N	421.280	4.960	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2cnn(-c3ccc(Cl)cc3)c2)n1	917621634	GWFGVAYBJHIZEL-ZSOIEALJSA-N	411.918	4.825	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3cnco3)cc2)c1C	918628846	QQCABIMNVHNSIQ-HSGPEQJXSA-N	404.470	4.513	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)cc(Br)c1OC(F)F	918712989	FPJVHSSFGJKXBX-WZUFQYTHSA-N	402.235	4.971	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cccc(C(=O)N(C)C)c2)c(C)n1CCC(C)C	918973209	IGDLVIICNCACCE-UCQKPKSFSA-N	421.541	4.503	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2cccc(C(=O)O)c2)c1)C(=O)Nc1ccc(F)cc1	1326917849	YRANSWSMAWUNHH-ODLFYWEKSA-N	416.408	4.649	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)c(F)c1	1790607301	QBNDJPZNNUWPRW-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@](C)(Cl)CCl)C2	1801830744	VURMSLBBFFBLJK-KYFSNAEOSA-N	419.437	4.858	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)s3)C2)CC1	1808203755	LAFNSHFPBORXAP-UHFFFAOYSA-N	417.402	4.511	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)[nH]n1	1820850709	ALBOGGJXKONTOF-RDJZCZTQSA-N	423.344	4.695	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2F)CC1	1824728122	XGAWCLDXJLKGIY-NVXWUHKLSA-N	414.974	4.528	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1	1830308272	OXMZMBOSVYIUNU-UXHICEINSA-N	416.949	4.684	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccccc1	16411163	UEAPWCDHZYWLBO-KGENOOAVSA-N	405.461	4.539	50	20	HJGD	
O=C(NNc1ccccc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F	97091743	SZVPXVQXURGABC-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1nc(-c2ccccc2)no1	728080223	BGHUVYVGXDMPBS-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCc2nc3cc(Cl)ccc3s2)c1C	730588307	WGMTZXFMELKAHL-UHFFFAOYSA-N	418.975	4.517	50	20	HJGD	
Cn1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)c(-c2ccccc2Cl)n1	731224054	RPOHLYJZWWDGBP-UHFFFAOYSA-N	412.280	4.699	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cccnc2)c(C)n1-c1ccc(Cl)cc1	733153132	HJYJTMXBWBUGOK-DEFALTHMSA-N	404.901	4.927	50	20	HJGD	
C[C@H](CCC(C)(C)C)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	736258810	PKGZTNIJHIKLCN-CTBJKRMSSA-N	403.530	4.702	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccncc1	741586146	OPHUMBZEUIQOQY-INJUALFYSA-N	414.509	4.672	50	20	HJGD	
C[C@@H]1CC(OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)C1	744212680	JIVCBQGXCHEFQL-CGWXXZEISA-N	402.498	4.739	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(c3cccc(F)c3)CCOCC2)c1C	744380016	RTZWHDUYDQKLFV-QNGOZBTKSA-N	423.532	4.773	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3cccc([N+](=O)[O-])c3)oc2c1	748000854	XJDZOHDACBSQHR-UHFFFAOYSA-N	403.394	4.774	50	20	HJGD	
O=C(NNc1ccccc1Br)c1csc(-c2ccccc2Cl)n1	748067995	HTAXIJKDSWLHTO-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(C)n(Cc2ccccc2)c1C	748751305	SUOSSPKAMONLNW-UHFFFAOYSA-N	412.331	4.981	50	20	HJGD	
Cc1csc(-c2ccc(NC(=O)NNC(=O)Cc3cccc4ccccc34)cc2)n1	756302475	PCZGLPDUSSNLEK-UHFFFAOYSA-N	416.506	4.667	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	758803918	KPXJXKVYHSVVDW-BBWFWOEESA-N	416.653	4.852	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2F)c(C)n1CC(C)C	760240673	BZXFDPODNNJLAZ-RSFAQHHSSA-N	414.452	4.761	50	20	HJGD	
O=C(Cc1cncn1Cc1ccccc1)NNc1c(Cl)cc(Cl)cc1Cl	763899995	XDYXVXODNHBPQL-UHFFFAOYSA-N	409.704	4.577	50	20	HJGD	
O=C(NN=CC[C@@H]1CCOC1)c1ccc(CSc2nc3ccccc3s2)cc1	765549184	RTHPSUQWSBVCPR-OAHLLOKOSA-N	411.552	4.731	50	20	HJGD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c(C)c1	773417378	KZCXMKPJJUQFOZ-UHFFFAOYSA-N	424.391	4.916	50	20	HJGD	
Cc1c(Cl)cc(NC(=O)C(=O)NNc2cc(Cl)ccc2Cl)cc1Cl	783368030	OGWYFGBBAKGJQB-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)ccc1Cl	788573001	RPHGQVLLMBMEQO-UHFFFAOYSA-N	413.909	4.865	50	20	HJGD	
COc1cc(NNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)ccc1Cl	790178516	ZNPQJIVNSJQYJZ-UHFFFAOYSA-N	408.845	4.551	50	20	HJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNc3cccc(F)c3[N+](=O)[O-])cs2)cc1	791151956	YZKYGOJLIWPAHJ-UHFFFAOYSA-N	414.462	4.667	50	20	HJGD	
Cc1nc(/C(C#N)=C/c2c(F)ccc(I)c2F)sc1C	794942020	FWVQSAGHHYWQPK-WEVVVXLNSA-N	402.207	4.707	50	20	HJGD	
CC[C@@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccccc1	804207866	YUZARWBGZNTVAB-QGZVFWFLSA-N	400.404	4.799	50	20	HJGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccc(Oc2cccnc2)cc1	808324322	HICWAWJFEBTBBR-MRXNPFEDSA-N	416.930	4.695	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCC(F)F	809146809	HKFVFPRCXGMKEL-QPEQYQDCSA-N	422.815	4.547	50	20	HJGD	
Cc1ccnc(NNC(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)c1	810495256	JTDCJTSYLZBTRB-UHFFFAOYSA-N	404.898	4.727	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(C=NNC(=O)Nc2ccc(Cl)cc2)cs1	815004929	QNTAXEWLOGGMQE-UHFFFAOYSA-N	413.890	4.637	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cnn(C)c2)c(C)n1-c1cccc2ccccc12	818914226	STIMTOUGMRQMPW-QRVIBDJDSA-N	423.520	4.546	50	20	HJGD	
CC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	913252332	GYGRQWXFHLSWAM-GESOSKEOSA-N	404.388	4.541	50	20	HJGD	
Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)c1	915843242	IBYPKNVGKDSELX-HMAPJEAMSA-N	422.488	4.723	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=S)Nc1ccc2ccccc2c1	915995339	OQQFYLOIIWBALY-UHFFFAOYSA-N	401.944	4.603	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNC(=O)c1cc(-c2ccccc2)on1	917542969	ANAUPUZMYGLPMK-UHFFFAOYSA-N	419.872	4.561	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccs3)c(OC)c2)cc1	917599027	HYPUNQPZCCOLEG-ATVHPVEESA-N	420.490	4.890	50	20	HJGD	
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)NNc3ccc(F)cc3)c2)c1	918232777	QFUJYEKSYOPISS-UHFFFAOYSA-N	407.449	4.604	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ccc(Oc2ccccc2)cc1	1115949985	YCSCEQKEFJJORY-OAHLLOKOSA-N	409.873	4.838	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2cncc(Br)c2)cc1)c1ccccc1	1324453998	YAGYEUKQRLOTPZ-AWEZNQCLSA-N	412.287	4.741	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](NC(C)C)C(C)C)CCC2)cc1	1786444256	RIBMVUQYLZVKHT-WOJBJXKFSA-N	422.013	4.551	50	20	HJGD	
C[Si](C)(C)OCC(=O)NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1	1790206161	XGMPZSNYJZLPHG-UHFFFAOYSA-N	420.969	4.532	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC1	1790294224	GGCVSRIJWHQABU-HXUWFJFHSA-N	423.315	4.810	50	20	HJGD	
CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@H](C)Br)cc3)CCC2)CC1	1791434991	ZAXFTGSIFFFNEA-JKSUJKDBSA-N	419.363	4.650	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)cc3OC)cc2)CCC1	1792100716	ZNPCKYXYGWTFHN-LJQANCHMSA-N	414.933	4.769	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC)cc2)CC1	1824615253	CZEWJPHDXGOMNG-YADHBBJMSA-N	419.009	4.890	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1	1830913262	UMVALYOBFQXZDK-WOJBJXKFSA-N	416.949	4.684	50	20	HJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	8200168	CZSVWLZUIHJZOW-QWGLIZDWSA-N	403.463	4.713	50	20	HJGD	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)NCCc1ccccc1	23042664	WWQUONNUTCACCH-NBVRZTHBSA-N	403.463	4.589	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1OC(=O)c1cccs1	34705151	MMMYZGOBTYTGTL-VBKFSLOCSA-N	415.474	4.927	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c1	214373954	IGLMJVPMFAHOGI-NVMNQCDNSA-N	417.461	4.884	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)c(-c2ccccc2)n1	728858285	LZHUPNQYSSQLLC-LGMDPLHJSA-N	424.489	4.619	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(SCCOC)cc2)cc1	728879782	UZOCKALCFFWWEK-MNTXUITRSA-N	410.539	4.608	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@@H](c1ccccc1)C1CCC1	729222835	VHXQQFHOKBHRSF-IBGZPJMESA-N	420.538	4.604	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C(=O)OC)c2cccc(Cl)c2)c1C	733817403	MNULUPSWNARVFL-OLROSQPISA-N	414.889	4.533	50	20	HJGD	
Cc1cc(NNC(=O)c2cc3ccc(Br)cc3[nH]2)ccc1Br	734254691	FASOMLKRJRBEFK-UHFFFAOYSA-N	423.108	4.758	50	20	HJGD	
O=S(=O)(Nc1cc(F)ccc1SCC(F)F)c1ccc(CCCl)cc1	737756275	FOPTVELBDOHROY-UHFFFAOYSA-N	409.882	4.765	50	20	HJGD	
CC(C)Sc1ccc(C(=O)NNc2c(F)cc(F)cc2Br)cc1	741981561	POSVPHVBMBFJBH-UHFFFAOYSA-N	401.276	4.985	50	20	HJGD	
Cc1cc(C)cc(C[C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1	742013308	RNGJLSYHVXFDRX-IYIZIDHUSA-N	419.569	4.555	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1	742846649	JAFMOTXDMWOSTN-MHWRWJLKSA-N	424.913	4.727	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1C	743297050	LWIMAJBPRJMDOV-HOTGVXAUSA-N	408.354	4.732	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)c(C)c1	743762973	QKDXKUGVTZJMFW-UHFFFAOYSA-N	404.301	4.565	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2nc3ccccc3s2)c(C)n1CC(C)C	744322523	YLXFRBXBYFBHDL-YBFXNURJSA-N	406.555	4.936	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2ccc(OC)c(SC(F)(F)F)c2)c1	744567182	GYXZDLUUQASTOP-OVCLIPMQSA-N	423.412	4.966	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)n1	748334563	KGWMJGIJCPXKLC-UHFFFAOYSA-N	407.836	4.550	50	20	HJGD	
COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)CCCC[C@H]1CCSS1	748736164	VDTKBKPNLUIHJG-INIZCTEOSA-N	401.981	4.556	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cc1Cl	753318968	XCLDZZGTRLZPPI-UHFFFAOYSA-N	406.751	4.642	50	20	HJGD	
Cc1cc(NNC(=O)c2cnn(C(C)C)c2-c2ccccc2)ccc1Br	754232757	HFMILTMDEOVTSP-UHFFFAOYSA-N	413.319	4.959	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H](Sc1ccccc1F)c1ccccc1	755198883	ZXNLNLCJXDOSSQ-QGZVFWFLSA-N	422.407	4.611	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1csc(Cc2ccc(F)cc2)n1	761584742	MOFKMZOGKBKVIU-UHFFFAOYSA-N	411.380	4.529	50	20	HJGD	
O=C(CC1CCCC1)NC1CCC(C(=O)NNc2c(Cl)cccc2Cl)CC1	763609408	RHLOTTTZYGWANG-UHFFFAOYSA-N	412.361	4.692	50	20	HJGD	
CN(CCC1CCN(c2ccncc2)CC1)C(=O)CCCC[C@@H]1CCSS1	770865346	CVBOBTKJQYWQJI-HXUWFJFHSA-N	407.649	4.861	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ccc(C(F)(F)F)cn1	775264644	KPRZQNUVUWEHFT-UHFFFAOYSA-N	414.746	4.613	50	20	HJGD	
CC[C@@H](C)n1nc(NC(=O)NNc2ccc(Br)cc2Cl)cc1C	776025572	CHBVEFMOVFIRMV-SECBINFHSA-N	400.708	4.727	50	20	HJGD	
CC(C)COc1ccccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782821397	PRGNNRFUOYSCIM-UHFFFAOYSA-N	403.482	4.529	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	785336470	YBKRMEBKVBTVPM-LFIBNONCSA-N	409.848	4.933	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc(F)c(F)c2)ccc1Oc1cccnc1	786051735	CZYFCYSCBIHQRO-ZDLGFXPLSA-N	405.404	4.684	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc2nc(C3CC3)sc2c1	792441496	SGBFVPRPZIRXTF-UHFFFAOYSA-N	421.309	4.562	50	20	HJGD	
CN(C[C@@H]1C[C@H](F)CN1C(=O)CCCC[C@@H]1CCSS1)C(=O)OC(C)(C)C	793471958	OHFIHMVSMJMRMH-HRCADAONSA-N	420.616	4.506	50	20	HJGD	
CCN(CC1CCC1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	794284715	QTXUYUBWDFPAAF-UYRXBGFRSA-N	421.932	4.673	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2c(F)cccc2F)c1C	797026016	RUKWYRAPWRASOY-XYGTYFBOSA-N	402.441	4.802	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1C#N	799499152	RFPSLMSZVLNJNQ-CUTJPZLCSA-N	400.265	4.658	50	20	HJGD	
O=C(NNC(=O)c1csc(Cc2ccccc2)n1)Nc1ccc(Cl)cc1Cl	802089920	JCBHKLLMRNJUSW-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
O=C(NNc1ncccc1F)c1oc2ccccc2c1COc1ccccc1Cl	804216515	HAYMJQFKSKBRPE-UHFFFAOYSA-N	411.820	4.956	50	20	HJGD	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	804462066	CYBSGAOSWWOQFM-UUYOSTAYSA-N	423.557	4.748	50	20	HJGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)Nc4ccccc4S[C@@H](Cl)C(F)(F)F)[C@H]1[C@H]3C2	806184210	VQRGKZAHHDKXHO-QEISKBMYSA-N	420.884	4.793	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2cccnc2)c(C)n1-c1cccc(Cl)c1	843349060	FRKWALXVZADDLU-IWEBCOIVSA-N	404.901	4.927	50	20	HJGD	
CCN(Cc1ccccc1Cl)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	914502020	PRKCSGCXOPNKSG-CTPANLQCSA-N	413.949	4.921	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](c2ccsc2)N(C)C)c(C)n1CCC(C)C	914506074	NEQHQKPQUJCKLJ-UHSICZIDSA-N	412.603	4.539	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(N2CCCCC2)s1	916349580	QRLHCASAEUJJFL-UHFFFAOYSA-N	410.568	4.934	50	20	HJGD	
Cc1nccn1-c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cn1	918587485	FAALVSPTUDSBDY-BKUYFWCQSA-N	416.529	4.586	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2)c1C	920006121	KRZITRSCQATBCX-AKGOGDBKSA-N	406.530	4.589	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NN=Cc2sc3ccccc3c2Cl)CC1	1318567793	YFZZLEXMZLAYGA-UHFFFAOYSA-N	421.950	4.652	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(F)c3)CCC2)cc1	1790489655	IDXITZFMWVPVHF-MRXNPFEDSA-N	406.860	4.730	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccco3)cc2)CCC1	1791908821	FEMHWBGZEUAWCL-JXFKEZNVSA-N	416.949	5.000	50	20	HJGD	
Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)c(C)c1	1820476767	XMXITPCENIIJRY-SFHVURJKSA-N	416.953	4.597	50	20	HJGD	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824008700	AEKBPFBJCSYPKZ-LJQANCHMSA-N	411.030	4.864	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccccc2)CC1	1824618446	VXEVYULVCMVKFD-NYVOZVTQSA-N	419.009	4.817	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccc(C)cc2)CC1	1830314149	WMWKNGDSQPRMFK-BVYCBKJFSA-N	419.009	4.736	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3n2C)cc1OC	6210057	LXFWJMKZLNLHJI-NTEUORMPSA-N	412.287	4.807	50	20	HJGD	
C=CCNC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1	7907269	NUERTCKGUFSULS-DEDYPNTBSA-N	408.461	4.554	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1Br	71971591	RELYXEFPYFJOLM-XFXZXTDPSA-N	411.177	4.893	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CCOC)c2nc3ccccc3s2)c1C	105702699	AUXNWMVKITZHMK-RGEXLXHISA-N	422.554	4.711	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cc1	727733170	AMNBBIRSBMSZQB-XNTDXEJSSA-N	410.886	4.803	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc(N(C)C(N)=O)cc2)c(C)n1C1CCCCC1	728274218	OHKFIEJCYMMUMX-XMHGGMMESA-N	420.513	4.638	50	20	HJGD	
Cc1ccc(S[C@@H](C(=O)NNC(=O)c2ccccc2F)c2ccccc2)c(C)c1	729944666	VMWGMJMHGQRVQO-OAQYLSRUSA-N	408.498	4.737	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)[C@@H](Sc1ccc(F)cc1)c1ccccc1	733811332	FEDVRRHZVWZKHR-NRFANRHFSA-N	404.470	4.746	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1	735688730	OJADEBLZHSOEDW-QGZVFWFLSA-N	423.300	4.899	50	20	HJGD	
COc1ccccc1-c1ccc([C@H](C)NC(=O)NNC(=O)c2cccc(Cl)c2)cc1	743641213	HWQCSNHLBWMXFK-HNNXBMFYSA-N	423.900	4.721	50	20	HJGD	
COc1cccc(COc2cccc(Cl)c2C=NNC(=O)c2ccc(C#N)cc2)c1	747053505	WJHHSEAXEAITQO-UHFFFAOYSA-N	419.868	4.563	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NNc3ccccc3F)cc12	748056224	KSNZGZGVZUSEHA-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cnn(Cc2ccc(OC)cc2)c1	748669641	KHXLWJNEISRDNU-UHFFFAOYSA-N	420.538	4.890	50	20	HJGD	
CCOC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1	751512106	GELFMFZDVDGFFW-PEZBUJJGSA-N	402.406	4.794	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3oc(CCOC)nc3c2)c1C	753318306	JWQYNIYDEGWBGH-CPNJWEJPSA-N	420.513	4.781	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)Nc1ccccc1SC(F)F	755468552	ZVZLBQPFRATWTC-UHFFFAOYSA-N	401.438	4.550	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NNC(=O)c1cc2ccccc2o1	757771141	PETOROQOOSSHHB-UHFFFAOYSA-N	424.457	4.555	50	20	HJGD	
Cc1c(I)cccc1C(=O)NNc1c(Cl)cccc1Cl	763617212	GWMTWCWXFDZQTK-UHFFFAOYSA-N	421.065	4.663	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccc(Br)c(C(F)(F)F)c1	769097530	LIJJRBWDUZTKHR-UHFFFAOYSA-N	416.222	4.835	50	20	HJGD	
N#Cc1ccc(OCC(=O)NN=Cc2c(Cl)cccc2Oc2ccccc2)cc1	769568055	XFVGMOPQUJGLJY-UHFFFAOYSA-N	405.841	4.533	50	20	HJGD	
CCc1nn(C)cc1C=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	770589930	CDRLONPDOABPNM-UHFFFAOYSA-N	417.900	4.615	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	771535003	MTDNIKUBVAPPFT-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl	772822446	GRRXPMYBSXEGHL-UHFFFAOYSA-N	412.925	4.629	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1OCC#N	773145711	SUQVWIZNQMCOGL-RIYZIHGNSA-N	404.319	4.545	50	20	HJGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cn1	775243230	IZIVOTORDDGWKD-UHFFFAOYSA-N	422.432	4.754	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ncc(Cl)cc3Cl)o2)c(C)c1	775266364	PLAICMXHFTZQLU-UHFFFAOYSA-N	406.269	4.934	50	20	HJGD	
CC(C)(C)c1nc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)no1	777682790	JBKYDJQUHHDPHK-UHFFFAOYSA-N	407.386	4.825	50	20	HJGD	
Cc1nc(CCC(=O)NNc2ccccc2OC(F)(F)F)oc1-c1ccccc1	779200624	DPFXQGTUNSVWEF-UHFFFAOYSA-N	405.376	4.625	50	20	HJGD	
N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)NCc1cccc(Cl)c1	786057310	ZSBLTGUYFYRPIQ-UDWIEESQSA-N	403.869	4.537	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cn(C)nc1C(C)(C)C)c1ccc(Cl)cc1Cl	787144962	NHEZPLUZDCVJLO-OEMOTLHWSA-N	405.329	4.809	50	20	HJGD	
CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	788718192	JWBGPTOVBBRXCQ-JTNHKYCSSA-N	401.903	4.674	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1cccc2c1CCCC2	790900730	GFTBTKNSMCIGJL-UHFFFAOYSA-N	409.530	4.988	50	20	HJGD	
C[C@@H]1CN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C[C@@H](C2CC2)O1	791729427	NIJRGDCHNISYCS-RIEGTJTDSA-N	408.873	4.937	50	20	HJGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2c(Cl)cc(Br)cc2Cl)C1	793577340	OUHNPFAOEPNARR-KOLCDFICSA-N	410.139	4.794	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1	794695416	NWFLEMSSCCHXEL-VXLYETTFSA-N	417.412	4.538	50	20	HJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1	794873727	GPTUTMNCYUNDSO-YHYXMXQVSA-N	401.098	4.829	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3)c2)cc1	797299384	PRLBOWMEUCMAPP-KQWNVCNZSA-N	412.489	4.540	50	20	HJGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)n1	797633661	PJRVVOBSOKNVDF-MRXNPFEDSA-N	406.511	4.710	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccccc1COCc1ccccc1	806209158	RFAPVUAANMFGCK-UHFFFAOYSA-N	406.442	4.769	50	20	HJGD	
C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	806421891	GBGKHWZOEODCRJ-TZMCWYRMSA-N	415.428	4.671	50	20	HJGD	
C[C@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H](O)c1ccccc1	808947679	JHAIDJTWPSYJPV-NHYWBVRUSA-N	424.391	4.521	50	20	HJGD	
CC[C@@H]1c2ccsc2CCN1C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	810149806	FLAXBJJLQWQGDR-JLFLUGMQSA-N	411.571	4.817	50	20	HJGD	
O=C(NN=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1c(Cl)cccc1Cl	811640895	DXVGRPFRUMBIRK-UHFFFAOYSA-N	407.040	4.972	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccccc2OCc2ccccc2C)c1	818294922	GGHPMIDNOPTDOO-UHFFFAOYSA-N	419.550	4.822	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nnc(C3CC3)s2)c(C)n1-c1ccc(F)cc1	862353761	ZHJJWVLIGANKPZ-MHWRWJLKSA-N	407.474	4.508	50	20	HJGD	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNc1ccccc1[N+](=O)[O-]	913105400	WZOPVNGYXDGZEX-WAYWQWQTSA-N	419.281	4.789	50	20	HJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)Nc3nc4ccccc4nc3Cl)oc12	915851855	DIHZERMGWDYPPW-RAXLEYEMSA-N	404.813	4.584	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cccc(OCc2cccc(C#N)c2)c1	915958136	OLRWSUZCUQZTIS-UHFFFAOYSA-N	419.868	4.563	50	20	HJGD	
C[C@H](CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)CN1CCCC1	916677108	QXMVLEWAHNGQJM-DOMZBBRYSA-N	409.905	4.759	50	20	HJGD	
O=C(NN=Cc1cnc(-c2ccccc2)nc1)c1ccc(-c2ccc(F)cc2)s1	917542708	MWNSPPWPMHVILO-UHFFFAOYSA-N	402.454	4.775	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)CC(F)(F)F)s2)cc1Cl	917551450	QJBIZLJYRBGBKO-UHFFFAOYSA-N	411.236	4.904	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	918586796	JLHABAAXUOVKTI-UYRXBGFRSA-N	410.433	4.690	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCN(C(C)(C)C)CC2)c(C)n1C1CCCCC1	918653041	BQDHPELVOOKZMG-LTGZKZEYSA-N	410.606	4.896	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1	920047292	QMVNGBCEWIATHD-IBGZPJMESA-N	413.930	4.698	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)C(c1ccccc1)c1ccccc1	1319048055	SVRUAHTWZUYOCU-INIZCTEOSA-N	407.901	4.505	50	20	HJGD	
C[C@@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1	1786013228	AGEDRAYFAIPWQI-INIZCTEOSA-N	416.949	4.857	50	20	HJGD	
CC(C)CCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)CBr)cc2)CCC1	1786070388	OBUPGQOLWCFZFG-HNNXBMFYSA-N	409.368	4.588	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccc(Cl)c(F)c1	1790615479	CSTMLCJYWOQIMG-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)c1C	5474321	FIEIZNDBZXYDPM-VUVCFOEZSA-N	410.499	4.838	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2F)o1)NNc1ccnc2cc(Cl)ccc12	10373802	KMSCFYQICGEGAU-UHFFFAOYSA-N	410.836	4.758	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccc(-n2cnc3ccccc32)nc1	143657286	DTGLHQRCSMIYKY-KRWDZBQOSA-N	412.584	4.751	50	20	HJGD	
CC(C)COc1ccc(C(C)(C)C(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	303345450	ZKLLPPBCHJZBCE-UHFFFAOYSA-N	423.340	4.767	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1csc(-c2ccccc2Cl)n1	727493912	XREYGIQMEPDMMR-UHFFFAOYSA-N	423.350	4.748	50	20	HJGD	
Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2Cl)oc2c(C)cccc12	728827510	SGMMQCRBKWUWPL-UHFFFAOYSA-N	421.678	4.540	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](O)c2ccc3ccccc3c2)c(C)n1CC(C)C	731830916	NGXRGHCTKZLSAX-NLSXYFQYSA-N	415.537	4.671	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ncccc3Cl)cc(-c3cccs3)nc21	734247626	SWBGFROQHDBRDZ-UHFFFAOYSA-N	412.906	4.546	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2oc3ccc(Cl)cc3c2C)c1C	734256564	ZANVHPOJPICWCJ-UHFFFAOYSA-N	407.861	4.620	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3c(F)cccc3F)c(-c3ccccc3)n2)cc1	735695931	MGFBUTFUITVZGR-UHFFFAOYSA-N	404.420	4.883	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	739750875	JEGGOGCKEWAIMI-NDENLUEZSA-N	413.502	4.909	50	20	HJGD	
C[C@@H](NC(=S)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	741870035	LJBLNQABHAFXCB-SECBINFHSA-N	417.749	4.909	50	20	HJGD	
CCCc1ncc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)s1	742071302	JMJGLRXLKKEYGO-UHFFFAOYSA-N	408.243	4.634	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCc2nc3ccccc3o2)c(C)n1CCC(C)C	743802058	VLMNEIFJADVSIJ-ZHZULCJRSA-N	404.514	4.558	50	20	HJGD	
COc1cc(C(C)=NNC(=O)c2ccc(COc3ccccc3)o2)ccc1SC	747612297	ZWJPOFZEEXXCTP-UHFFFAOYSA-N	410.495	4.743	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2ccc(Br)cc2C)cc1OC	748740980	SQWGNGDIURFESF-UHFFFAOYSA-N	407.308	4.702	50	20	HJGD	
COc1ccccc1-c1nc(C(=O)NNc2ccc(Br)cc2C)cs1	748750842	NWSXZCZBSRZPSN-UHFFFAOYSA-N	418.316	4.647	50	20	HJGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	752621306	ABHSLJSMKBMQAE-CQSZACIVSA-N	407.440	4.607	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1ccc(Br)cc1C(F)(F)F	754022669	QWGBURDNNQLSPG-QMMMGPOBSA-N	420.229	4.710	50	20	HJGD	
CC(CC1CCOCC1)=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	757560837	OSGGXSBLCKPHOC-UHFFFAOYSA-N	400.906	4.841	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nc(O)c3cc(Br)ccc3n2)cnc1Cl	760212131	UTNWUAIWVDMROX-WZUFQYTHSA-N	401.651	4.519	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(F)c(C(F)(F)F)c(F)c1	760477164	VABCTVUVWNMKRS-UHFFFAOYSA-N	402.216	4.898	50	20	HJGD	
Cc1nc(COc2ccccc2C(=O)NNc2ccc(OC(F)(F)F)cc2)cs1	761581000	LGPBZCLGRUFBSE-UHFFFAOYSA-N	423.416	4.686	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccc(Br)s1	761584276	CYPNKCLBCMCSRX-QMMMGPOBSA-N	409.227	4.656	50	20	HJGD	
C[C@H](CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1nccs1	762680107	BMTKGWGDFHDBBU-SECBINFHSA-N	415.409	4.659	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(Cl)c1	766262072	QCTOBVSGUKTFJH-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H](Br)C(C)(C)C	767026026	DRMKMHIFHBLRHZ-QGZVFWFLSA-N	419.367	4.728	50	20	HJGD	
COc1cccc(-c2nc(C)c(C(=O)NNc3c(Cl)cc(F)cc3Cl)[nH]2)c1	768008662	BPDCOMARJDHYTN-UHFFFAOYSA-N	409.248	4.597	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccc(NC(=O)c2ccco2)cc1	769946144	NRZCFGOZAURQOJ-UHFFFAOYSA-N	420.347	4.579	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)N[C@@H](c1cccc(Cl)c1)c1ccccn1	771340458	IZTZJWKOKWKRPO-KRWDZBQOSA-N	405.260	4.943	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)ccc1OC(=O)c1ccccc1F	772180002	UFZBXMJEQOCKAB-BOPFTXTBSA-N	419.383	4.982	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1cnn(CC2CC2)c1	773400721	DCOKTDPJHMGVBM-UHFFFAOYSA-N	410.368	4.528	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(C(F)(F)F)cn3)sc2C)cc1	775252740	SDTVFQBBBGKNPH-UHFFFAOYSA-N	407.417	4.903	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1nc(SCc2ccccc2)ns1	775673528	KOSIJSGNDCXNSR-UHFFFAOYSA-N	408.512	4.527	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C(=O)NNc3nc4ccccc4cc3C)c2Cl)cc1	777477135	DEYVYWYQOZPAPW-UHFFFAOYSA-N	419.916	4.815	50	20	HJGD	
C[C@H](NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1=CCN(C)CC1	781396593	PBXBWDYITAVJFH-NHYWBVRUSA-N	407.889	4.678	50	20	HJGD	
CN(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)S(=O)(=O)CBr	782468693	NCGHCQCUMWVJPB-UHFFFAOYSA-N	423.159	4.697	50	20	HJGD	
CN(Cc1cccc(O)c1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981451	PNOAWXMERYZHSZ-UHFFFAOYSA-N	403.394	4.870	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	786612261	ZMZQUPVGUFBRGH-RDTXWAMCSA-N	417.575	4.969	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C)c1ccc2[nH]ccc2c1	789671992	OQNIZKHQYGGLHR-RHLNUJDMSA-N	404.514	4.754	50	20	HJGD	
COc1cc(C(C)=O)ccc1OCCCC(=O)NNc1cc(Cl)cc(Cl)c1	791718549	RLJSLYMKIBTGQT-UHFFFAOYSA-N	411.285	4.507	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)ccc1OCc1ccc(Cl)cc1	794884422	PHBLLNWZTYHOES-HDAJJNEKSA-N	411.885	4.830	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1cccc2c1CCO2	797371643	KILVLAWKGVKSAA-UHFFFAOYSA-N	408.348	4.856	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(\C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)cn1	800791746	FIHNLAGHBYSUCK-XYOKQWHBSA-N	419.535	4.802	50	20	HJGD	
COC(=O)c1cc(NNC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)ccc1C	816689150	UUCZCRBZFABBMV-UHFFFAOYSA-N	418.449	4.533	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1	817895409	AEYXLFDNXJXJDI-UHFFFAOYSA-N	409.467	4.902	50	20	HJGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)Nc1ccc(F)c(Cl)c1	864235648	GINJTSIFEAQUSQ-YHYXMXQVSA-N	411.723	4.534	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)cc1	914767052	UREQVBQMEHBGKI-XNTDXEJSSA-N	420.387	4.581	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)c1oc2ccccc2c1CSCc1ccccc1	914842300	ATNNCWVZRBAJSE-UHFFFAOYSA-N	408.523	4.817	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)c1C	915869091	RHPCSOAHMGWNNU-RONKMWSCSA-N	409.530	4.625	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)c1C	915869093	RHPCSOAHMGWNNU-XNHPLOEXSA-N	409.530	4.625	50	20	HJGD	
CCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(OC)c(OC)c3)ccc21	916288927	LWXOFGCCFWWJNN-UHFFFAOYSA-N	401.466	4.596	50	20	HJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNC(=O)Cc1cccc2ccccc12	1115893340	WBUOHPPPWBQVFX-UHFFFAOYSA-N	413.477	4.622	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1	1319387350	UQEKJRZFMWTGDF-UHFFFAOYSA-N	418.384	4.813	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)c(C)n1CC(C)C	1320243990	JNWAEEJXOYDKJR-ZXJHQIPZSA-N	407.562	4.639	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccccn3)CCC2)cc1	1786442759	PETFQRSPUMTHFQ-FQEVSTJZSA-N	413.949	4.556	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccsc3)CCC2)cc1	1790487657	ISKGPJIBDRPYSR-URPWPPKMSA-N	402.947	4.913	50	20	HJGD	
CC(C)(C)CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](O)CCl)CCC2)cc1	1791379901	MYWCJWNKSRWWLV-LJQANCHMSA-N	422.997	4.717	50	20	HJGD	
C[C@@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1	1791909260	KDIUKGKSCARBBN-INIZCTEOSA-N	416.949	4.857	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@]3(F)CCCC=C3F)cc2)CCC1)C(Cl)Cl	1792377647	HOLNLJTYXWVEBS-LJQANCHMSA-N	417.283	4.670	50	20	HJGD	
C/C(=C\c1cccs1)C(=O)N1CCCC2(CCN(C(=O)C(C)(C)CCl)CC2)C1	1804804932	OBRAPFYVQADLFA-SAPNQHFASA-N	423.022	4.648	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)ccc2C)n[nH]1	1814575086	CLJPHUZYVJUDEV-AEFFLSMTSA-N	420.916	4.571	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1	1824010889	IIZNXLWFAIIJGN-CSHXORCISA-N	423.022	4.646	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1	1824613561	QSCMKBCEHDUGHO-CVEARBPZSA-N	415.361	4.574	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N[C@H](C)c3cccc4ccccc34)cc2C1	9793484	AWXBZGQWLULQJQ-LSDHHAIUSA-N	407.539	4.731	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccco3)nc2C)cc1	726197863	SXNBBPPXSZDQRX-UHFFFAOYSA-N	408.527	4.624	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1	733083840	RMMLNCQBVMOZAY-CXUHLZMHSA-N	404.451	4.881	50	20	HJGD	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	733771694	RKOWDQFXWHTRJP-PKGQOAHCSA-N	418.541	4.665	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)cc1C	738556081	SJIVYNRUUXRKMK-AWEZNQCLSA-N	409.477	4.519	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)c2ccc(-c3ccccc3OC)cc2)o1	741459354	BKGACTFFXVTMGR-UHFFFAOYSA-N	419.525	4.951	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NNc1c(F)cc(F)cc1Br	742108074	DGYRINLXBURMAR-JTQLQIEISA-N	411.337	4.885	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1cc(F)c(Cl)cc1Cl	743506758	SDAAUESFRQLESI-LLVKDONJSA-N	420.271	4.991	50	20	HJGD	
CN(C)Cc1cccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	743717047	BNWVCJMIIFSVAA-UHFFFAOYSA-N	417.134	4.574	50	20	HJGD	
CCOc1cc(CN(C)/C(=C\C#N)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F	746499871	OCCHZYJYWGHRLH-MFOYZWKCSA-N	403.385	4.591	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)o1	746593429	NCBQWKSUIWRBOK-UHFFFAOYSA-N	421.404	4.569	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1C	747198129	TYXGJQKGNVBQOU-ZMACYBEESA-N	410.543	4.676	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1cccnc1Oc1ccc(Br)cc1	748089755	OCBSDEKQDUIXIY-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NNc1ccc(F)c(F)c1F	748215594	LVYSXCULIZJNDC-UHFFFAOYSA-N	401.388	4.609	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccccc1OCc1cscn1	748740471	FTVOAISOQKPBFN-UHFFFAOYSA-N	418.316	4.550	50	20	HJGD	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NNc2ccc(Cl)cc2)cc1	749276225	MFJYJZCXEADWHR-UHFFFAOYSA-N	413.817	4.806	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1C	756872421	SXJPTQAKYRHDCT-UHFFFAOYSA-N	419.909	4.526	50	20	HJGD	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)NNC(=O)c2ccccc2O)cc1	757591407	FGTYJHOGCPVZEG-HNNXBMFYSA-N	407.495	4.712	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccc(Br)s1	761584272	CYPNKCLBCMCSRX-MRVPVSSYSA-N	409.227	4.656	50	20	HJGD	
CN(C(=O)c1ccccc1NC(=O)NNc1ccc(F)c(F)c1F)C1CCCCC1	769972309	INZKROCAZWHYNZ-UHFFFAOYSA-N	420.435	4.657	50	20	HJGD	
O=C(NNc1cnccn1)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	770022748	GRENVBAFNIAETI-UHFFFAOYSA-N	424.823	4.758	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cncc(-c2ccc3c(c2)CCO3)c1	771045825	CMDADRFSZFKVAW-UHFFFAOYSA-N	400.265	4.747	50	20	HJGD	
Cc1cccc([C@@H](O)CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	778000752	LMUBMYOQNIFBDE-HNNXBMFYSA-N	417.421	4.664	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1	783599580	FWXYVTUZEQVHPL-UHFFFAOYSA-N	421.888	4.727	50	20	HJGD	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)CC)cc1	786042981	OMENTOZKDQHCKK-KGENOOAVSA-N	423.563	4.950	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cc(F)c(F)cc1C(=O)c1ccccc1	793839980	WTIYZYQUZWAKOT-UHFFFAOYSA-N	404.775	4.745	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3cccnc3)ccc2C)c1C	794092589	LDJZZVDYSBGOHJ-YDZHTSKRSA-N	414.509	4.667	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1	799399240	DXWJDGDGZONCNW-UHFFFAOYSA-N	423.538	4.680	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@]2(CCCO2)[C@H]1C1CC1	815104516	MSRYEDFRRILAKD-HUUCEWRRSA-N	419.437	4.676	50	20	HJGD	
COc1cc(C(=O)NN=C(C)c2ccc(-c3cccs3)cc2)cc(OC)c1OC	818209250	TXWDHBGMFODJAC-UHFFFAOYSA-N	410.495	4.595	50	20	HJGD	
COCc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1	915634073	NNVSPWBMPGNPSW-OEAKJJBVSA-N	405.542	4.980	50	20	HJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)N2CCn3c2nc2ccccc23)cc1	915853308	BFMJECCXXHMHFP-JZJYNLBNSA-N	419.488	4.758	50	20	HJGD	
CCOc1ccccc1C=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	916293837	JSSHBBPMGNSGGA-UHFFFAOYSA-N	420.538	4.548	50	20	HJGD	
Cn1cc(C=NNC(=O)Cc2ccc3ccccc3c2)c(-c2cc3ccccc3o2)n1	920375018	OIPPDIVAUIPEKM-UHFFFAOYSA-N	408.461	4.679	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3cc4c(s3)CCC4)o2)c(C)n1C[C@H]1CCCO1	1117190540	VZEIUAAYYNFLIY-SZVPOVDMSA-N	420.538	4.948	50	20	HJGD	
C[C@@H]1CCC[C@H]1C(=O)NC1(c2ccc(NC(=O)[C@@](C)(Cl)CCl)cc2)CCC1	1790494243	GSIXGMDBSXIBST-ZTQAJYAQSA-N	411.373	4.793	50	20	HJGD	
COc1cc(C)cc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)c1	1791606872	IVEMOWKMLPPOIV-UHFFFAOYSA-N	421.324	4.555	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)c(F)c1	1791607148	TVWOUMWCGPZWSA-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCCn3cccc3)cc2)CCC1	1791899580	DAXYZYQAPAFDDN-FQEVSTJZSA-N	415.965	4.810	50	20	HJGD	
Cc1cc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)cc1F	1792118225	LBZLGEGEMGFXSQ-QGZVFWFLSA-N	410.823	4.555	50	20	HJGD	
CCCCCc1cccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](Cl)CCC)c1	1847868484	CTHPDTLYHRCXIH-FSSWDIPSSA-N	419.009	4.571	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccc(F)cc2)c1Cl	2630512	BCNLCUFGFQQWSA-KAMYIIQDSA-N	410.836	4.528	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)c1C	105500668	ROVORAAZEFAVPV-SINAZASISA-N	421.541	4.621	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2sc3cc(F)ccc3c2Cl)cc1C	137287039	GHXMDZMCHVQLAK-UHFFFAOYSA-N	407.923	4.942	50	20	HJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	213365260	OWVKBHAXKZAFBY-GDNBJRDFSA-N	402.372	4.824	50	20	HJGD	
COc1ccc([C@@H](CNC(=O)CCCC[C@H]2CCSS2)N2CCCC2)cc1	302709086	MEUWAXSBLAGUET-VQTJNVASSA-N	408.633	4.662	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)cc1	726438494	TVGDXEQTAVUUGI-UHFFFAOYSA-N	415.559	4.530	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2)CC1	727434570	LVFXOIULMWOUEQ-FOWTUZBSSA-N	419.834	4.615	50	20	HJGD	
COc1ccc(NC(=S)NNC(=O)c2oc3c(ccc4ccccc43)c2C)cc1F	727499155	XMGVTFPAVIQKSC-UHFFFAOYSA-N	423.469	4.674	50	20	HJGD	
Cc1ccc(C(C)(C)CNC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	728484307	KUWBUXXHAMGITD-MGSPXPDISA-N	419.569	4.593	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(COc2ccc(Br)cc2)o1	729280347	BKLGEJQQYIXIPF-UHFFFAOYSA-N	423.213	4.656	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(Cl)ccc2OC)c1C	729361333	JBFMXZUFMGIVHJ-QANDDYDISA-N	416.905	4.625	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NNc1cncc(Cl)n1	730139269	KIXPAFWTIGOBBX-SNVBAGLBSA-N	423.329	4.603	50	20	HJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=Cc3ccc(OC(F)F)c(Cl)c3)sc2n1	731486918	ZKVJVGZXFOTYEQ-UHFFFAOYSA-N	424.860	4.514	50	20	HJGD	
CSCc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	731589092	SUZDOYPDRLYRDQ-PZDOZLBDSA-N	409.555	4.693	50	20	HJGD	
CCOc1cc(C=NNC(=O)[C@@H](CC)c2ccccc2)ccc1OCC(F)(F)F	731931319	FGKCXBWHUNICFY-KRWDZBQOSA-N	408.420	4.670	50	20	HJGD	
CC(C)(C)C(=O)NCc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)cc1	741508073	ASXRTUHUTAXWTR-UHFFFAOYSA-N	415.537	4.701	50	20	HJGD	
CCCOc1ccc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1	743552687	ZYDIIAGXXIFUOA-UHFFFAOYSA-N	418.497	4.678	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)N[C@H]1CCSc2ccccc21	745289685	SDEMSAYGGDPJPU-ZDUSSCGKSA-N	414.275	4.591	50	20	HJGD	
C[C@H](CCNC(=O)NNC(=O)C(C)(C)c1ccccc1)c1cccc(C(F)(F)F)c1	746420163	CTKDBKMCHHVDRN-OAHLLOKOSA-N	421.463	4.507	50	20	HJGD	
COc1sc(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)cc1Br	746522595	OVLXKDQEVRWLFI-WTKPLQERSA-N	422.329	4.911	50	20	HJGD	
N#Cc1ccc(NNC(=O)CCc2nc3cc(Cl)ccc3s2)cc1C(F)(F)F	746893325	KJOPTORCMDOBGF-UHFFFAOYSA-N	424.835	4.916	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cccnc1SCc1ccc(F)cc1	748220275	MVBMUMMLFCTKLC-UHFFFAOYSA-N	407.392	4.687	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1ccc(C)c(C)c1)c1ccc(C(F)(F)F)cc1	748360207	MMYQHPFQPUMBGF-KAMYIIQDSA-N	407.461	4.743	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	748673551	KYJJNRGWANSTKW-MRXNPFEDSA-N	411.502	4.515	50	20	HJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	749465669	BPCYXAOLNMNTKZ-CODCLWSRSA-N	408.405	4.814	50	20	HJGD	
N#Cc1ccc(NNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1Cl	753314689	AFOZWCZFRPEIJO-UHFFFAOYSA-N	401.253	4.596	50	20	HJGD	
Cc1ccnc(NNC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)c1	755844188	VLHNFACVLXUURP-UHFFFAOYSA-N	400.265	4.685	50	20	HJGD	
CCn1ncc(C(=O)NNc2ccc(Br)cc2Cl)c1-c1ccccc1	756876851	SVOFEAKEYXCRNM-UHFFFAOYSA-N	419.710	4.743	50	20	HJGD	
CCc1ccc(C(=O)NN=Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)cc1	759648511	MKPXEFARVMQVEZ-UHFFFAOYSA-N	404.514	4.640	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	764271619	PSWMMPRURAOYQM-UHFFFAOYSA-N	419.466	4.574	50	20	HJGD	
Cc1ccc(NC(=O)c2sc3[nH]c([C@H](C)Br)nc(=O)c3c2C)c(C)c1	767358407	LNQLBIHTWARCAJ-NSHDSACASA-N	420.332	4.618	50	20	HJGD	
CCCC(=O)Nc1cccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)c1C	769983940	UDOHYWLUBOQCFU-UHFFFAOYSA-N	410.396	4.781	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)C(=O)Nc1cccc(CSC2CCCC2)c1	770812186	HYQVDFNTYGHRDS-UHFFFAOYSA-N	421.925	4.737	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(Cl)cc3C(F)(F)F)c(C)cc2c1	771448068	HSFUPSJPNHCQBW-UHFFFAOYSA-N	409.795	4.981	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)c1	772173789	DPOIWAPEGGSTBW-UHFFFAOYSA-N	423.900	4.550	50	20	HJGD	
O=C(C[C@H]1C=CCCC1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	778709690	BIRKNMISNNIFIN-NSHDSACASA-N	405.410	4.895	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)c1	780793001	OZWLTRQTJICJQJ-UHFFFAOYSA-N	416.433	4.652	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNc3nc(-c4ccccn4)nc(C)c3C)s2)o1	782117659	NFUMBGTUAYPLIZ-UHFFFAOYSA-N	405.483	4.542	50	20	HJGD	
Cc1ccc([C@H](C)C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)o1	783465351	MVCNVXADXXMRCC-JTQLQIEISA-N	419.393	4.854	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CC(Cc2ccccc2)C1	784798334	NHWLKEJTSSSWJF-UHFFFAOYSA-N	420.403	4.984	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	785343167	BNFDNRIZXZKAFU-IGVUGNCQSA-N	422.790	4.836	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)/C(C#N)=C\c2ccccc2)cs1	785352195	UOTYASRPNKFVQH-BOPFTXTBSA-N	421.453	4.617	50	20	HJGD	
COc1cc(NNC(=O)Nc2cnc(Cl)c(Br)c2C)ccc1Cl	788666217	ZWQHNTWIIXHUNF-UHFFFAOYSA-N	420.094	4.617	50	20	HJGD	
COc1ccc(C(=O)CCCCCC(=O)NNc2cccc(Br)c2)cc1	789821283	RGENRGZBNSNKRI-UHFFFAOYSA-N	419.319	4.734	50	20	HJGD	
C=CCN(Cc1ccc(Cl)s1)C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	790159261	IANPCCGNYNXQIB-LDADJPATSA-N	417.962	4.588	50	20	HJGD	
CC(C)(C)N(CCS(C)(=O)=O)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792873638	UOITUEUSGZJCRJ-UHFFFAOYSA-N	413.700	4.854	50	20	HJGD	
COc1cccc(NC(=O)[C@H](OC(=O)/C(C#N)=C/c2ccccc2)c2ccccc2)c1	793070934	FKLPSMMIDFCPKO-QFXGEWDLSA-N	412.445	4.525	50	20	HJGD	
Cc1nc(SC(F)F)sc1CC(=O)NNc1cc(C(F)(F)F)ccc1F	793733678	VSVDMZJNHQYAGZ-UHFFFAOYSA-N	415.384	4.610	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1C	894650627	ZFQZOAUGUJTGJR-KOMLCTQHSA-N	405.498	4.624	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2cccc(Cl)c2)C(C)C)c1C	914502137	RSLYHQFXZSSOGG-FYJGNVAPSA-N	413.949	4.749	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3F)c2C)c1C	915984343	XZXNBNGZFYGFFX-LICLKQGHSA-N	406.436	4.930	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2OC(C)C)c1C	916081632	VKAIDGBTRNWSQS-NURUNYDYSA-N	423.557	4.884	50	20	HJGD	
COc1ccc([C@H](NC(=O)NNc2nc(Cl)c(Cl)cc2Cl)C2CC2)cc1	916228549	FZTLRMQHGCHCLF-CQSZACIVSA-N	415.708	4.828	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1	916596055	FDMWVVOQEWZHII-ODLFYWEKSA-N	417.490	4.516	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CCN(Cc3ccccc3C)CC2)c1C	918602257	IGJBJHRQZKYIFH-LFVJCYFKSA-N	418.585	4.511	50	20	HJGD	
CC(CCc1cccc(F)c1)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	920363971	LJPUEUBUDKOXKV-UHFFFAOYSA-N	403.672	4.502	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)c1ccoc1C	921262672	WOUVHCANFMNNCR-GDNBJRDFSA-N	404.260	4.556	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3ccc(C(C)(C)C)nn3)oc2c1	1323000983	DEOIVAVLQIEFKC-UHFFFAOYSA-N	416.481	4.953	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cscc3OC)CCC2)cc1	1786443799	MCMWPSALJFQQGY-QGZVFWFLSA-N	420.962	4.912	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnc(C)c(C)c3)cc2)CCC1	1787007218	GZUIAVIKHISNEF-FQEVSTJZSA-N	413.949	4.854	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3coc(C(C)C)n3)cc2)CCC1	1787028068	HIHLUBIZPXPAKS-INIZCTEOSA-N	403.910	4.563	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc4c[nH]nc4c3)cc2)CCC1	1788446724	NUXMBZYONPRORB-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCCCl)C2	1802294334	GRBDIFKIIRXTHH-AKHDSKFASA-N	417.059	4.693	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC)cc2)CC1	1830070188	KJVIERWHMJSBTN-FCHUYYIVSA-N	419.009	4.890	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1	18063978	UMTLCQMVITVLQT-YBFXNURJSA-N	415.877	4.620	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2C)c1C	24001582	VNPIREAZJQLRMI-SLPHFVEFSA-N	421.541	4.539	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1	212657100	SZDYVIOIKSGQIG-BOPFTXTBSA-N	404.378	4.565	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OCC#N)cc3)c2C)cc1	727677506	BVYDENOQLQCBAX-HAHDFKILSA-N	424.504	4.528	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc3c(s2)COCC3)c(C)n1C1CCCCC1	727719889	CDEFXUZCEVTBCZ-BOPFTXTBSA-N	410.543	4.685	50	20	HJGD	
CCc1ccc(-n2nc(C(=O)NNc3cccc(C(F)(F)F)c3)c3c2CCC3)cc1	730830141	MJVYPCJUPGAJFZ-UHFFFAOYSA-N	414.431	4.699	50	20	HJGD	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNc1nc(-c2ccccc2)no1	732113607	YRLYHPMUBGBRKA-ACCUITESSA-N	406.442	4.761	50	20	HJGD	
Cc1nc(-c2ccco2)ccc1C(=O)NNc1ccc(Br)cc1Cl	733808574	YOIIHWPNJCCWPH-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccsc2)c(-c2ccc(Cl)cc2)n1	736141776	NXSHQWOIRVVBLC-GDNBJRDFSA-N	407.886	4.724	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)CC(=O)Nc2c(C)cccc2C)c1C	741977110	FGEYWJMRUHNZKH-HYARGMPZSA-N	420.557	4.526	50	20	HJGD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)o1	743540869	ADEOIPUZTLWUGY-MGPUTAFESA-N	404.470	4.606	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(-c3ccccc3C)no2)cc1	746058964	INDYLGPDKYMYDE-APVMCDBPSA-N	403.438	4.655	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1	748116733	NUNMYTOGIKLSPL-UHFFFAOYSA-N	413.868	4.821	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)c1	748362797	VKZHHQPZABZHSL-UHFFFAOYSA-N	405.523	4.863	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNC(=O)CCc1ccccc1	749745175	PRJPFGBKYAKULH-UHFFFAOYSA-N	415.324	4.630	50	20	HJGD	
Cc1noc([C@H](OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c2ccccc2)n1	750873945	ZGOXPPDMGUATLO-BYUJNSPJSA-N	418.497	4.692	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1	753376917	IMJBPEHEYIKMEM-HUCUOGIVSA-N	403.438	4.655	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccccc1OCc1ccncc1	754152304	HESCVQCHMMDHEO-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)Nc1cccc(C2SCCS2)c1	755535512	PJMCQSMUIFBSOW-UHFFFAOYSA-N	423.563	4.714	50	20	HJGD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762638219	GBYFTXDXKXOLDO-UHFFFAOYSA-N	410.364	4.647	50	20	HJGD	
CC(=O)N1CC[C@@H](CN(C)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762979320	IFZDOCUMLWGGRZ-LBPRGKRZSA-N	401.401	4.676	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1ccnn1C1CCCC1	765670403	MAKDUCKMHGGXEE-UHFFFAOYSA-N	418.122	4.824	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2OC(F)(F)F)cnn1-c1cccc(C)c1	768226556	WCIDRMRHNVTICA-UHFFFAOYSA-N	418.419	4.789	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1sc(-c2ccco2)nc1-c1ccccc1	768244603	WCIKFKUEVFQFHA-UHFFFAOYSA-N	406.423	4.735	50	20	HJGD	
O=C(NNC(=O)N[C@H]1CCOC2(CCCCC2)C1)Nc1ccc(-c2ccccc2)cc1	769174429	VHGCWECGYSECEG-NRFANRHFSA-N	422.529	4.571	50	20	HJGD	
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	769745149	ZMCKKJCSYYRWKM-MRXNPFEDSA-N	415.704	4.511	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	769974610	PPXQDWRSLAUTDK-VIFPVBQESA-N	418.737	4.565	50	20	HJGD	
O=C(NCCc1ccsc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772909550	MHCZMJITRZZEQS-UHFFFAOYSA-N	400.394	4.703	50	20	HJGD	
C[C@@H](CNc1ccccc1)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773669704	PCNCTTIITLHFAW-LBPRGKRZSA-N	423.407	4.899	50	20	HJGD	
N#C/C(=C/c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc(OC(F)F)cc1	776258997	XHMKFKHYQVYPJL-GHXNOFRVSA-N	423.169	4.749	50	20	HJGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3ccccc3OC(F)(F)F)c2c1	779207466	XZKFGBHYTWCGHE-UHFFFAOYSA-N	417.387	4.776	50	20	HJGD	
CC1(NC(=O)OC(C)(C)C)CCN(C(=O)CCCC[C@H]2CCSS2)CC1	781784090	OSBPVRLVEALLLB-HNNXBMFYSA-N	402.626	4.606	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H](CCO)c1ccccc1Br	782063139	WNUJCCCZSCVQBR-CZUORRHYSA-N	418.422	4.703	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc1C(F)(F)F	782821588	OTXFHHAAROSWGL-UHFFFAOYSA-N	413.399	4.822	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2sc(-c3ccccc3)nc2C)c1C	784176405	HDRBOYIKHFSROV-DEDYPNTBSA-N	420.538	4.729	50	20	HJGD	
Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)C(=O)NNc3ccccc3)cc2)c1	784770004	WJNHAFWDXRXMMV-UHFFFAOYSA-N	417.509	4.779	50	20	HJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccc(OC)cc3)cs2)cc1	787151239	LANIUWJFSAOOHN-BRFSQIRFSA-N	419.506	4.612	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(Cc1cccc(Br)c1)CC1CC1	787573472	NABFBOHFUYBDDL-VCHYOVAHSA-N	411.299	4.500	50	20	HJGD	
CN(NC(=O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl)c1ccccc1	789750093	BVTLLTZZOGWRAS-UHFFFAOYSA-N	414.292	4.767	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1ccc(Cl)c(F)c1	790840057	LUGQGOMSTRRCGW-UHFFFAOYSA-N	407.873	4.902	50	20	HJGD	
Cc1c(F)ccc(Cl)c1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	791041268	HFOSEQKTKCEPBC-DAIOKFOQSA-N	415.896	4.931	50	20	HJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	794931096	JKQGNLHSQZOWNJ-MKMNVTDBSA-N	410.278	4.647	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)c1cccc(C(=O)c2ccccc2)c1	802021898	CVYUZKOUSKTEHE-OAHLLOKOSA-N	421.884	4.527	50	20	HJGD	
N#C/C(=C/c1cn2ccc(Br)cc2n1)c1nc2ccccc2n1C(F)F	811688573	QJNOZNNQBOLOHL-XFFZJAGNSA-N	414.213	4.906	50	20	HJGD	
O=C(NNc1ncncc1F)c1ccc(CSc2cc(Cl)ccc2Cl)cc1	817071096	OUWWOXULWDEKHD-UHFFFAOYSA-N	423.300	4.972	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3cccc4cccnc34)cc12	818208887	IMMWJORCOFDNIB-UHFFFAOYSA-N	411.490	4.708	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cc(Br)cs2)c1C	915704180	ZUXZNSZOCFGKBR-PXNMLYILSA-N	420.376	4.905	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)N[C@H](c1cccs1)C1CC1	916232486	JFFLZTRPUJLOPE-SFHVURJKSA-N	403.573	4.564	50	20	HJGD	
Nc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1	916264227	DXVRLNMQKXVPMD-UHFFFAOYSA-N	421.460	4.632	50	20	HJGD	
CCCOc1cc(C)ccc1NC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	917745181	LHXRYVAIYSRITI-LZAZYHHXSA-N	409.530	4.955	50	20	HJGD	
CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCCC[C@H]1CCSS1	918703467	ZNZOOBFCSQTNFJ-UXHICEINSA-N	407.649	4.609	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cn3cccn3)cc2)c(C)n1CC(C)C	919846574	OVBPOTGZQXDKJJ-LPYMAVHISA-N	401.514	4.551	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1	1787626740	GDCACXUWFFUVHS-SFHVURJKSA-N	421.379	4.874	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cc(F)ccc1Cl	1788588776	HMDWXGHTPLMGKQ-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Br)ccc2OC)c1C	108398846	RFOQSOGZOSVJMY-MHWRWJLKSA-N	416.319	4.832	50	20	HJGD	
Cn1ccnc1Sc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1	110211020	PSTCJANJQMYSRZ-UHFFFAOYSA-N	421.975	4.544	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	727840696	PTCWUVVWDCZGMO-UHFFFAOYSA-N	414.465	4.670	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1C	730194643	SZSZPDUSPQPMMY-LDADJPATSA-N	423.517	4.642	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1nc(-c2ccccc2)cs1	730678442	WSUZAUKJXTUVIF-LBPRGKRZSA-N	404.442	4.799	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccc2C)C2CC2)c1C	732746058	ZTNRLAPLVMRCCQ-RAUCFSQZSA-N	405.542	4.795	50	20	HJGD	
CCC(CC)[C@H](NC(=O)NNC(=O)NCc1ccc(Cl)cc1)c1ccccc1	733036551	CUHUPBHMPAYVLT-IBGZPJMESA-N	402.926	4.531	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2c(Cl)nc(Cl)n2-c2ccccc2)cc1	734303923	AYGOXUNXEMJKRB-WJDWOHSUSA-N	411.292	4.711	50	20	HJGD	
Cc1cccc(C(=O)NNc2cc(F)c(F)cc2F)c1NC(=O)c1ccccc1F	734551689	PDIQCSZUDFWHQY-UHFFFAOYSA-N	417.362	4.561	50	20	HJGD	
COC(=O)C(C)(C)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1	741641957	QYQXBIPDNDBOCH-MOSHPQCFSA-N	421.541	4.757	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)c(C)c1	743764339	NAFULEXKAQKNNZ-UHFFFAOYSA-N	405.527	4.532	50	20	HJGD	
CO[C@H](C)c1nc(CNC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cs1	752517256	WABOCQMZRBLJFH-OXNWSPOFSA-N	414.575	4.538	50	20	HJGD	
CC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752991561	XREZEMUARVZZQH-GFCCVEGCSA-N	401.401	4.724	50	20	HJGD	
CC(=O)Nc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc(C(F)(F)F)c1	754153802	NTLRYOYDRJBUCI-UHFFFAOYSA-N	423.288	4.579	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cccc1[N+](=O)[O-]	762002399	BRDKXAQCNBKUMZ-UHFFFAOYSA-N	422.828	4.978	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c1	770034288	LIHRZNCENVGXDY-UHFFFAOYSA-N	418.297	4.667	50	20	HJGD	
Cc1ccc(OCc2nc(CC(=O)NNc3c(F)cccc3Cl)cs2)cc1	770198717	ZVLRMDPTCAVHAR-UHFFFAOYSA-N	405.882	4.509	50	20	HJGD	
COc1cc(NC(=O)NNc2ccc3ccccc3n2)ccc1NC(=O)OC(C)(C)C	775513435	JIFRNSXSBFTWLK-UHFFFAOYSA-N	423.473	4.739	50	20	HJGD	
COC(=O)Nc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc(C(F)(F)F)c1	780806165	AHGDTWSBVNEGDI-UHFFFAOYSA-N	409.408	4.938	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[C@H](Br)C(C)(C)C)cc1	781099608	RVNJPENUYCBLJP-BBRMVZONSA-N	412.372	4.547	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1	781553762	XEXGFVTYPGJBPW-YBFXNURJSA-N	406.438	4.849	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)c3cnc4ccccc4n3)c2)cc1	790227313	FLBUYFCLFZXOIG-CPNJWEJPSA-N	406.445	4.955	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1cccc2c1CN(CC(F)(F)F)C2	800562685	BLNMKCVVNYRHER-UHFFFAOYSA-N	418.341	4.732	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccccc1COCc1ccccc1	806209409	ZNJBJIWFLNRXRX-UHFFFAOYSA-N	403.486	4.610	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	810215230	ARUWPMAIAYDIOX-VBKFSLOCSA-N	419.462	4.555	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cncn1-c1ccccc1	817016050	DCIPRYVSTWLALN-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)c1	819557597	XKOONOBWKIQWFJ-UHFFFAOYSA-N	414.937	4.680	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c3ccco3)c2C)cc1	914495981	PFFCHQTZUYOTDH-OFBHVFLISA-N	403.482	4.822	50	20	HJGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(-c2cccc(Cl)c2)s1	914691648	GBXSIDQJILVRRO-UHFFFAOYSA-N	415.858	4.506	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)c3ccc(Cl)cc3)c2Cl)cc1	916253685	GQBBNFXVJGCSAZ-UHFFFAOYSA-N	401.297	4.619	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@@H](c1ccc(F)cc1)C1CCCC1	918780119	QWSPIPICVMBCDJ-JOCHJYFZSA-N	405.473	4.854	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-n3cccc3)ccc2F)c1C	1318210227	OOFDEAHUMXUBLB-RONKMWSCSA-N	420.488	4.788	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@](C)(Cl)CCl)CCC3)cc2)o1	1786493427	GVXOWAUBRYMJCQ-IBGZPJMESA-N	409.313	4.572	50	20	HJGD	
CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)CCC)[C@H]1c1cccnc1	1812692367	CSYBYEZXMTYSKD-VMXMFDLUSA-N	422.013	4.711	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccsc2)[nH]n1	1815317790	INGMANIPFCAJSW-DOTOQJQBSA-N	422.982	4.504	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Cc2ccccc2)CC1	1832037215	BEBCOZLGMBBQIM-COPCDDAFSA-N	419.009	4.502	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2F)CC1	1832546744	KEEARPXCFWAVJM-UYAOXDASSA-N	422.972	4.775	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ncc(-c3ccccc3)[nH]2)c(C)n1CCC(C)C	725891502	FSRMWLLXGFWIKU-LPYMAVHISA-N	415.541	4.765	50	20	HJGD	
Cc1nn(C)cc1[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	727737811	BRPVZJVOWQTAQU-VUQQOUJSSA-N	421.932	4.574	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1)c1ccc(Br)cc1Cl	728783060	WVOCDHACGYBYPA-UHFFFAOYSA-N	416.500	4.629	50	20	HJGD	
Cc1cc(OC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)ccc1[N+](=O)[O-]	729652328	ZHVGLHHRORSQFO-GOSISDBHSA-N	414.458	4.855	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)/C(=C/c1ccccc1OC)c1ccccc1)c1ccccc1	732000541	JVAFRLMWCVHRAD-BRVJYZJNSA-N	414.505	4.577	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)N(CC(F)(F)F)C1CC1	732714670	BUQPCADMJGDMIJ-LCYFTJDESA-N	421.400	4.784	50	20	HJGD	
Cc1csc(C(C)(C)NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)n1	734805564	QATLNPMXCOXADY-WOJGMQOQSA-N	422.529	4.957	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2ccc(Br)nc2)cc1F	735331370	NNXYPOJWCKUKPN-UHFFFAOYSA-N	418.241	4.855	50	20	HJGD	
CC(CCc1ccccc1[N+](=O)[O-])=NNC(=O)c1ccc(COc2ccccc2)o1	741457590	WXBSZBULVZACAW-UHFFFAOYSA-N	407.426	4.505	50	20	HJGD	
Cc1nnc(-c2cccc(NC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)c2)o1	741987659	OUIXJNBRPTZVIK-JMIUGGIZSA-N	403.486	4.665	50	20	HJGD	
CC(C)(C)c1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)[nH]n1	742132965	ANDZPIXZSSDDCV-UHFFFAOYSA-N	406.111	4.533	50	20	HJGD	
CC(=O)Nc1cccc2c1CCCN2C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	743833315	SJHDXRXKSZFHRD-FYJGNVAPSA-N	418.541	4.606	50	20	HJGD	
COc1ccc2sc(C(=O)NNc3ccc(F)cc3Br)c(C)c2c1	748074480	BDTMIVISGLHTKD-UHFFFAOYSA-N	409.280	4.877	50	20	HJGD	
CS[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1N(C)C	752976112	DDNWGVKSMFLLLO-QWHCGFSZSA-N	405.458	4.853	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1cccc2ncccc12	762448782	JFNFPVPTPFUZSK-WIYYLYMNSA-N	422.529	4.520	50	20	HJGD	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762968653	MOZQAPQWCMJTTQ-UWVGGRQHSA-N	410.430	4.629	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)c1	769072271	AXIPLAQTKICKET-IBGZPJMESA-N	413.264	4.523	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)Nc1ccc(Oc2ccc(Cl)cc2)nc1	775562238	DLFIMQDMTNYEPM-UHFFFAOYSA-N	406.833	4.619	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)cc1Br	775638343	BVZIEDVJUDNHSU-WQLSENKSSA-N	408.198	4.849	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1sc(COc2ccc(F)cc2)nc1C	777481794	JYRJYOVEMQMKAH-UHFFFAOYSA-N	422.485	4.783	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c1	783362513	WYOQROPIEAZEOE-SFHVURJKSA-N	403.482	4.525	50	20	HJGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1Cl	785094419	DTQRRIRHAFKRNC-UHFFFAOYSA-N	418.844	4.709	50	20	HJGD	
O=[N+]([O-])c1ccc(Sc2cccs2)c(NS(=O)(=O)CCCCCl)c1	788061378	DYOVRTVCPIKUIF-UHFFFAOYSA-N	406.938	4.568	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccsc3Cl)cc2)n1	790142688	BVFCQGRBLSLRJJ-UHFFFAOYSA-N	416.959	4.865	50	20	HJGD	
C[C@@H]1OCC[C@@]12CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CCO2	791863095	RVWAIEABNGJFCX-XHDPSFHLSA-N	402.385	4.756	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(F)cccc1I	794952434	FPRJSGXMHCGBIN-UHFFFAOYSA-N	412.246	4.619	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cn2ccc(Br)cc2n1	811686016	LAPCYXYFEXNYSI-JYRVWZFOSA-N	405.255	4.676	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(F)cc1Br)c1cccc(Br)c1	812536796	ORZOYNIBQXMPDQ-VIFPVBQESA-N	416.088	4.598	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)/C=C\c2ccc3ccccc3n2)cc1	913502164	QCKRIXMVXZDXPJ-NXVVXOECSA-N	404.539	4.608	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1nn(-c2ccccc2)c2c1CCC2	918348421	DFRGCSOQQNAGDI-KRWDZBQOSA-N	401.601	4.691	50	20	HJGD	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918560304	YNOJFYPYVJVOCR-OAHLLOKOSA-N	420.796	4.832	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1	920298423	LYPMPTHUUDZTHH-BRYHAGSVSA-N	418.415	4.811	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)c1ccccc1	921261537	HIVGZDWFYXHXDT-SFQUDFHCSA-N	400.272	4.654	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1C	1116074206	CKWYYHNMBWUXJG-UHFFFAOYSA-N	415.541	4.628	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@H]2OCCC[C@H]2C1	1190012078	YPSNIMHMZBSPRN-SMDDNHRTSA-N	407.426	4.534	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)CCC1	1789718982	WNIWLMMKDMRKAL-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)cc3OC)CCC2)cc1	1790488614	ZLTBGJLEUZNCRH-IBGZPJMESA-N	414.933	4.769	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)cc3F)cc2)CCC1	1790636059	PPBOUSHPXNFZNC-HNNXBMFYSA-N	424.850	4.869	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1	1824618610	KDBBJJSWQLMSIH-DCCUHNOOSA-N	423.041	4.984	50	20	HJGD	
CCn1c(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)nnc1-c1ccco1	36832822	DPPGKHSXCOSOAK-NHLWYUBBSA-N	423.523	4.561	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)CC(C)C)ccc1OCC(=O)Nc1ccccc1	726119697	ATOYQIBQCHIYEZ-CPNJWEJPSA-N	406.482	4.625	50	20	HJGD	
N#CCCCOc1cccc(C=NNC(=O)COc2ccccc2-c2ccccc2)c1	726736021	ADECOXXJRIDFIC-UHFFFAOYSA-N	413.477	4.565	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1csc(-c2cccs2)n1	727174116	MUCYXPDQYRJUSA-UHFFFAOYSA-N	402.570	4.626	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OCC#N)cc3)c2C)c1	727675156	VQPNHNNAHGLSEV-HAHDFKILSA-N	424.504	4.528	50	20	HJGD	
O=C(NNC(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl	727791967	AQQJMFRLBPRDKV-IBGZPJMESA-N	415.276	4.575	50	20	HJGD	
O=C(CCSc1ccc(Cl)cc1)NNC(=O)c1c(Cl)cccc1Cl	727793494	MQTNIOUJTLEGRK-UHFFFAOYSA-N	403.718	4.590	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC[C@@H](C2OCCO2)C1	729553482	QNBQQYJREQWVFQ-IAQYHMDHSA-N	424.872	4.523	50	20	HJGD	
Cc1cc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C(C)C)cc2)ncn1	734254508	XRNDVOCDYRUOBY-UHFFFAOYSA-N	412.497	4.518	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccccc2OCC(=O)NCC2CC2)cc1	734831976	AQCPZEWSDQYRCJ-KGENOOAVSA-N	416.521	4.679	50	20	HJGD	
C[C@H](CC(=O)c1ccccc1F)C(=O)NNc1ccc(Br)cc1Cl	743335626	WLTZHVAKQQAJTK-SNVBAGLBSA-N	413.674	4.594	50	20	HJGD	
COc1cc(C(C)=NNC(=O)Cc2nc(-c3ccccc3)cs2)ccc1SC	747612239	XFQZDOGIDKMGAK-UHFFFAOYSA-N	411.552	4.624	50	20	HJGD	
COc1ccccc1-c1cccc(NC(=O)NNC(=O)CCCc2ccccc2)c1	756513507	KLVPCOJPOGMOFM-UHFFFAOYSA-N	403.482	4.538	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)c2ccc(-c3ccccc3)nn2)c(C)n1CC(C)C	760611136	VSBKMMNDBUPAOW-HMAPJEAMSA-N	413.525	4.788	50	20	HJGD	
C=CCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)cc1OC	765614049	QEOKJUAHKPPURM-NTEUORMPSA-N	415.243	4.995	50	20	HJGD	
C[C@@H](OC(=O)[C@H](Br)C(C)(C)C)c1nc(Cc2ccc(Cl)cc2)no1	766748047	WIHRZGCXMQHDDV-YGRLFVJLSA-N	415.715	4.728	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1Br)C(=O)N(CC(F)(F)F)C1CC1	769771502	OKLWSSUHFXJNAA-YHYXMXQVSA-N	407.617	4.563	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)NNc3ccc(F)c(F)c3F)cccc21	770061571	RKMRJMDRVAYOJI-UHFFFAOYSA-N	422.407	4.550	50	20	HJGD	
Cc1cc(Cl)c(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1C	781427354	UXOUASBWNYBVMG-UHFFFAOYSA-N	421.810	4.585	50	20	HJGD	
CN(C)c1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)nc1	782924662	DGFRMJNXJYHGHT-UHFFFAOYSA-N	403.398	4.606	50	20	HJGD	
O=S(=O)(Nc1nnc(C(F)F)s1)c1ccc(S(F)(F)(F)(F)F)cc1	782934842	VLRXEYMXRATTCU-UHFFFAOYSA-N	417.353	4.934	50	20	HJGD	
CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	784782430	VYXNPFSXWBGINC-UHFFFAOYSA-N	409.380	4.726	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(Oc2ccccc2)cn1	799706841	YNIUTQOJMIHVAM-UHFFFAOYSA-N	403.360	4.572	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1Br	802706714	XIRYOIPFBNRQIY-ZROIWOOFSA-N	424.258	4.619	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1	804197345	ALGRFCUCBNJVFQ-SZLZGVTBSA-N	400.400	4.724	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc2nc(C(F)F)sc2c1	806694664	FXYNKGXOEVHXJQ-UHFFFAOYSA-N	403.336	4.796	50	20	HJGD	
CSCc1cccnc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	810447125	KYMTXENAHZWRBA-UHFFFAOYSA-N	421.147	4.771	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	812769075	SUYZJLTXONOYJH-UHFFFAOYSA-N	411.380	4.725	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1	813039211	LJRFALJVKYVEPW-INIZCTEOSA-N	409.534	4.790	50	20	HJGD	
CC(CCc1ccc(O[C@@H](C)C(=O)O)cc1)=NNC(=O)c1c(Cl)cccc1Cl	814834008	XHAMCEIPYAQLIU-ZDUSSCGKSA-N	423.296	4.584	50	20	HJGD	
Cc1ccc(N2C(=O)C[C@H](C(=O)NNc3cccc(C)c3)[C@@H]2c2cccs2)cc1	912634635	OPPATIOZWLYVSX-SIKLNZKXSA-N	405.523	4.602	50	20	HJGD	
COc1ccc(Nc2nc(COC(=O)/C(C#N)=C/c3cccc(OC)c3)cs2)cc1	913263395	BUNUQUJVBJVOOR-MHWRWJLKSA-N	421.478	4.554	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(Cl)c1N1CCOCC1	914753053	NSFCPUGABSQKED-CQSZACIVSA-N	400.997	4.829	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)Cc1ccc(Cl)cc1	916352701	VIBHGQVORLUUCS-UHFFFAOYSA-N	421.715	4.834	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(C)n1C[C@H]1CCCO1	918590233	ZSDZILRXJFREFE-YCUJTSQOSA-N	409.574	4.618	50	20	HJGD	
CCc1nc2cc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)ccc2o1	918639589	FCONMNYAYMBPIA-BUDOKORBSA-N	418.497	4.533	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1nc(-c2ccccc2)oc1C1CC1	1342843627	PTRZQILQCWMGBD-UHFFFAOYSA-N	416.250	4.878	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccnn3C(C)C)CCC2)cc1	1786444215	FGWNUDJOPPOVOK-GOSISDBHSA-N	416.953	4.619	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccs3)cc2)CCC1	1788163820	VEBLKYRBLWMBEG-ZGKFYVQTSA-N	402.947	4.913	50	20	HJGD	
Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)cc1	1789648588	UQEPPOSYJXIPMT-UHFFFAOYSA-N	424.617	4.523	50	20	HJGD	
Cc1ccc([C@H](C)C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)cc1	1791345888	XQJFJVCFOXVPIW-KXBFYZLASA-N	402.897	4.767	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccncc2)c(C)n1-c1ccccc1F	195722073	ROPGVECVLNNJGI-AQRZYSDFSA-N	402.473	4.755	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(SC(F)(F)F)cc2)cc1	209224106	UQDCDFSAXWPRPJ-UVTDQMKNSA-N	405.401	4.803	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)c1C	213339849	FIEIZNDBZXYDPM-ZCQLHAAUSA-N	410.499	4.838	50	20	HJGD	
CCCCCOc1ccc(C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)cc1	727497176	JVQVSASOSWETKD-UHFFFAOYSA-N	415.559	4.674	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNC(=O)CCCc3ccccc3)sc2C)cc1	727717118	VWGZFADOTHNJLU-UHFFFAOYSA-N	408.523	4.516	50	20	HJGD	
CN(C(=O)c1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1)c1ccccc1	729532484	CMBZECKIAWLWQN-UHFFFAOYSA-N	413.399	4.739	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc(C)c1OCc1ccccn1	732715927	CYSGNYUYSCDTHG-QNGOZBTKSA-N	403.526	4.976	50	20	HJGD	
C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NNc1nccc2sccc12	734249820	IDXZOTLSHREXPY-AWEZNQCLSA-N	404.495	4.597	50	20	HJGD	
CC[C@@H](NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1cccs1	734368125	IHYRNBGPZKJXOR-LLVKDONJSA-N	409.989	4.876	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@](C)(O)c2ccsc2)c(C)n1C1CCCCC1	740937995	JRVPQLDKLGPNDO-NOPGXUSGSA-N	411.571	4.603	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)N[C@H](CCCO)c1ccccc1	741094620	MBHLOPFUBUIYCH-OAHLLOKOSA-N	402.709	4.787	50	20	HJGD	
CCC[C@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccn1	743592168	IDBGYSZRBPYHBV-NRFANRHFSA-N	403.486	4.626	50	20	HJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1nc(C(F)(F)F)cs1	746669570	FIIZMNHNRFOGEJ-UHFFFAOYSA-N	424.428	4.608	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c(O)c1	747604823	GSTKNIBEQFCRAS-UHFFFAOYSA-N	411.380	4.515	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc(Br)cc2F)cc1OCC	748200161	GZKGXGCMNRQOIQ-UHFFFAOYSA-N	411.271	4.533	50	20	HJGD	
Cc1c(NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cccc1[N+](=O)[O-]	748685935	PJLFFBRIPOWPBT-UHFFFAOYSA-N	404.451	4.937	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1oc2ccccc2c1CSc1ncccn1	748706735	FGOIVSSCJLENKG-UHFFFAOYSA-N	410.886	4.925	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNc1nc(C(F)(F)F)cs1	755855803	DGCAOQYHGZZAQF-UHFFFAOYSA-N	400.451	4.628	50	20	HJGD	
O=C(Nc1ccccc1O[C@@H]1CCOC1)NN(Cc1ccccc1)c1ccccc1	760065978	NITZEVBZCKZZOK-OAQYLSRUSA-N	403.482	4.598	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc4sccc4c3)cc2)cc1	761037302	FXBVECQSKNMSOG-UHFFFAOYSA-N	422.531	4.799	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)o1	761781235	VMDKRLVNGFRRBP-UHFFFAOYSA-N	418.280	4.706	50	20	HJGD	
Cc1cc(/C(C#N)=C/c2ccc(OCc3occc3C(=O)O)cc2)ccc1[N+](=O)[O-]	774557892	GFJPTMXOSFZGNJ-GZTJUZNOSA-N	404.378	4.838	50	20	HJGD	
Cc1cc(C)cc(-n2nc(C(=O)NNC(=S)Nc3ccccc3C(C)C)cc2C)c1	777521246	DUOWKLJVIKYKKQ-UHFFFAOYSA-N	421.570	4.552	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(CCC(F)(F)F)cc3)c(C)cc2c1	778478196	ABQRJZRWFQURLW-UHFFFAOYSA-N	403.404	4.804	50	20	HJGD	
Cc1ccc(Cn2cc(C(=O)NNc3ccnc(F)c3)c(-c3ccc(C)cc3)n2)cc1	781362798	BKVRDVXKIITUQG-UHFFFAOYSA-N	415.472	4.506	50	20	HJGD	
CCCCCSc1nc2ccc(NC(=O)C(=O)NNc3ccccc3)cc2s1	784765372	XZTCVZBBZZHELL-UHFFFAOYSA-N	414.556	4.660	50	20	HJGD	
CCOC1CC(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	788917299	KEUOFALMNIPGOU-UHFFFAOYSA-N	409.442	4.828	50	20	HJGD	
N#C/C(=C\c1cc(Br)c(Cl)s1)C(=O)NCc1ccc(F)c(F)c1	790100607	PWPNKLPYQFBGHK-RUDMXATFSA-N	417.662	4.666	50	20	HJGD	
COc1cc(NNC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)ccc1Cl	790185847	DAXOKLBFINVNBN-UHFFFAOYSA-N	410.301	4.744	50	20	HJGD	
CCN(CC)c1nc2sc(C(=O)NNc3ncnc(Cl)c3C(C)C)cc2s1	798143515	WWALPVSKKCHROF-UHFFFAOYSA-N	424.983	4.528	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc(OC)c1OCC(F)F	809145558	AEPDAKHSJOTVGJ-NSIKDUERSA-N	407.800	4.791	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2ccc([N+](=O)[O-])cc2)cs1	810574234	MJJKOXDOCVLABH-UHFFFAOYSA-N	414.462	4.587	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1	811557759	IBSPNIZOUZOFPP-ARFHVFGLSA-N	411.593	4.689	50	20	HJGD	
CC(CCCCNC(=O)OC(C)(C)C)=NNC(=O)c1cc2c(s1)CCCCC2	811635950	RSGYQDLUVQXUFG-UHFFFAOYSA-N	407.580	4.818	50	20	HJGD	
CCCN(C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C)[C@@H](C)c1ccccc1OC	914507107	BSROROIQGROBBM-OFXNXBLFSA-N	423.557	4.667	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(c3noc(C)n3)CCCCCC2)c1C	915154972	QOCOUTVIOBZXJW-RCCKNPSSSA-N	423.561	4.869	50	20	HJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1	915843119	RPTLUKXQYBALES-DISPHTKASA-N	412.467	4.540	50	20	HJGD	
C[C@H]1CN(C(=O)c2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2)C[C@@H](C)O1	918676095	KFIAUMITPJMLHO-JTDSTZFVSA-N	422.616	4.589	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1OC	918714300	SBKKZAUEZMJOTD-PXNMLYILSA-N	400.272	4.873	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cc(Br)c4c(c3)OCO4)c[nH]c2c1	920399285	RRISUBKCFRBKGK-WLRTZDKTSA-N	409.239	4.757	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c(Cl)n1	1345382050	NJTFBNPICPEAMS-UHFFFAOYSA-N	422.798	4.668	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc([C@@H]3COc4ccccc4O3)o2)c(C)n1CC(C)C	1345498203	XQEKODOUKQOKIM-YJXRAILPSA-N	404.470	4.721	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C)n3)cc2)CCC1	1787073555	HZYFBVNEFAKYDC-QGZVFWFLSA-N	417.912	4.684	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1	1820860167	QYIIHTPEDPHYOZ-IEBWSBKVSA-N	414.937	4.610	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1	1830007256	KLIIFOIERWSYCI-YADHBBJMSA-N	419.009	4.944	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(COC(C)C)c2)c1C	139079520	FDMZMKUCDKLHTL-AIRTYWKNSA-N	409.530	4.783	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)/C=C/c2cccc(OC3CCCC3)c2)c1	727864514	LVMHKCGFNBWQCV-OUKQBFOZSA-N	409.555	4.656	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)N1CCC[C@@H]1C1CCC1	728406230	GZKLEWANLQAOAF-DYVFJYSZSA-N	420.884	4.636	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2csc(-c3cccs3)n2)c1C	728439521	MFQPZUAMROXBFN-JYRVWZFOSA-N	411.508	4.783	50	20	HJGD	
CCCC[C@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(OC)cc1	728595477	HRHXOQMDCKGGGX-QFIPXVFZSA-N	405.498	4.724	50	20	HJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Br)c3c(c2)OCCCO3)s1	729820407	QGIRULIRJFUWTI-QPEQYQDCSA-N	404.285	4.770	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)c3cccc4ncccc34)c2Cl)c1	730146478	XZDRKXWBEPAFIE-UHFFFAOYSA-N	417.900	4.763	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1	730488433	KQMYGGYGWTZQJQ-FQEVSTJZSA-N	415.348	4.607	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CCC(NC(=O)OC(C)(C)C)CC2)cc1	731923579	SWJHMTDDPURAQS-UHFFFAOYSA-N	424.545	4.647	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc([S@](C)=O)c2)c(C)n1C1CCCCC1	732123291	VTRASGRGRHYZGA-PGLNOLGZSA-N	409.555	4.893	50	20	HJGD	
O=C(NN=Cc1ccc(-c2c(F)cccc2F)o1)c1ccc(Br)s1	734363526	LHSBUYKBYHNESD-UHFFFAOYSA-N	411.227	4.813	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NNc1cc(F)c(F)cc1F	734552586	YFJNKVTWXZLTTH-UHFFFAOYSA-N	403.838	4.628	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	742072753	JYWPCDXDSPQHQZ-UHFFFAOYSA-N	410.355	4.578	50	20	HJGD	
C[C@@](O)(CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccco1	743084223	JUMDJTSZDFCWJL-DZGCQCFKSA-N	408.829	4.528	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccc3ccccc3c2)o1	748005273	XPCXIVRNUYQGNX-UHFFFAOYSA-N	403.394	4.677	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(C#N)cc2)c(C)n1C1CCCCC1	749219541	BOQAYPNLZGPRKR-LPYMAVHISA-N	415.493	4.815	50	20	HJGD	
CCOc1ccccc1[C@H](CC)NC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	751196971	FONRGPSCDUZIQJ-IOQNOCSLSA-N	423.557	4.886	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)cc1	755570421	DNGFMLBZGZBCIH-UHFFFAOYSA-N	423.494	4.504	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1ccc(Oc2cccc(F)c2)cc1	756149180	SKCBMKIXMJLWTO-UHFFFAOYSA-N	416.412	4.633	50	20	HJGD	
COc1cccc(CCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762632995	BMLBJCWHPVOJEL-UHFFFAOYSA-N	424.391	4.650	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C[C@@H](C)c2cccc(Cl)c2)c2ccccc2c1=O	763347046	VUDBELPWHNCBCR-MRXNPFEDSA-N	424.932	4.759	50	20	HJGD	
O=C(NN=Cc1ccccc1OC(F)(F)F)c1ccc(COc2ccccc2)o1	767181035	XIRGONLHAVKSLD-UHFFFAOYSA-N	404.344	4.521	50	20	HJGD	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NNc1nccnc1C(C)C	770405924	AZBMBDXHTMANCO-UHFFFAOYSA-N	416.485	4.508	50	20	HJGD	
COc1cccc(C2(NC(=O)CCCC[C@H]3CCSS3)CCOCC2)c1F	773810038	IDLJVCAXKGVNTD-HNNXBMFYSA-N	413.580	4.670	50	20	HJGD	
CC(C)(C(=O)NNc1ncc(Cl)cc1Cl)c1ccc(Br)cc1	775266256	HZOMDTMLQYTHCJ-UHFFFAOYSA-N	403.107	4.572	50	20	HJGD	
CC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)O	776614776	IYGLLIQINFWOKS-BXKDBHETSA-N	411.414	4.512	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@H]1C[C@@H]1c1ccc(Br)cc1	779201675	UADIUSZUPVAJEX-OLZOCXBDSA-N	415.209	4.595	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1C(=O)N(C)C(C)C	786059613	KAENCFXKPQAFFM-UHFFFAOYSA-N	408.424	4.643	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1	787501239	MQHZWECWACLBLE-QGOAFFKASA-N	408.417	4.673	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc1	787717780	RMDGONUMMRWZNU-UYRXBGFRSA-N	417.440	4.635	50	20	HJGD	
O=C(NNC(=O)c1cc(C2CC2)cnc1Cl)c1ccc(-c2ccc(F)cc2)s1	792843125	LEHCVIRDCHQSFH-UHFFFAOYSA-N	415.877	4.555	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	798311349	PFYDOZXZBUBWSU-HOTGVXAUSA-N	406.511	4.507	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)cc1	800590078	JYQMLDCHXKOGHH-ZROIWOOFSA-N	408.351	4.711	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2)c1C	801070610	OSQSXKNHCMROAS-BWCLHNGZSA-N	407.514	4.691	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@@H](C)c2cccc(CC(C)C)c2)c1C	806864283	JMNCQFYKHHQBSN-KRWDZBQOSA-N	403.530	4.601	50	20	HJGD	
O=C(NC[C@@H]1CCCSC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	807519898	SSSCZGWXIJFUDF-JTQLQIEISA-N	404.426	4.542	50	20	HJGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ccc(C(F)(F)F)nc1Cl	817870494	RDQZTXNBDNBGCH-OIBJUYFYSA-N	401.654	4.741	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	914751732	AGYISFCKZIUAMS-UHFFFAOYSA-N	412.820	4.957	50	20	HJGD	
Cc1nc(C=NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)cs1	915904172	QCOVXYFVNYJUOC-UHFFFAOYSA-N	401.491	4.948	50	20	HJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C)O[C@@H](C)C2	916568900	KWVWZJAHIRDQHE-SRYMZENNSA-N	418.415	4.789	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc(Br)cc3)c2C(C)C)cc1	918320662	WREARPQUUZAFCE-UHFFFAOYSA-N	413.319	4.824	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccc(C)s2)cc1	919787715	FPTBZJSOZZOGBA-INIZCTEOSA-N	403.548	4.721	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCC(C)(C)c2ccccc2)c(C)n1C[C@@H]1CCCO1	919934794	GJJMAHRJWUXANP-FOOJEKODSA-N	419.569	4.675	50	20	HJGD	
CC[C@H](C)[C@H](C)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	920015782	LQZHURQSSUQGAR-COGMNKOPSA-N	409.921	4.575	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cc4ccccc4nc3N3CCOCC3)c[nH]c2c1	920068092	IGCVGNOIVICYOO-ZHZULCJRSA-N	422.488	4.651	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(OC(F)F)cc2)c1C	920491606	LBJPLJDOKVVALW-PUMYGXPMSA-N	418.440	4.564	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@@H]1c2ccccc2C[C@@H]1O	921061020	JWGZHIHILFMGKZ-NUEKZKHPSA-N	416.852	4.686	50	20	HJGD	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	1116461297	JWCMXLDBGQMAMN-OQLLNIDSSA-N	421.346	4.576	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCC3(F)F)cc2)CCC1	1786464438	BDLVIAVTOPYONA-SJORKVTESA-N	412.908	4.963	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1	1787616238	SEJSIYCXRREUQW-SFHVURJKSA-N	421.379	4.874	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cc2[nH]ccc2s1	1789103468	SJNOYNZMFPSSPX-INIZCTEOSA-N	405.882	4.512	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(F)F)c3)CCC2)cc1	1790488294	ZLJIZBAIJQDMRP-INIZCTEOSA-N	421.875	4.784	50	20	HJGD	
CC(C)c1ccc(C(=O)N2CCC3(CCCN(C(=O)C(C)(C)CCl)C3)CC2)cc1	1805261428	CEBFPIJNGKLFKD-UHFFFAOYSA-N	419.009	4.920	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1	1817135085	XKXQONXHBSWBKZ-WBMJQRKESA-N	417.978	4.586	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)Cl)n[nH]1	1818043310	GXOKVKLKWFVHAE-QAPCUYQASA-N	414.953	4.933	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cc(C#N)n1C	10957487	RNQPDAKVDQNFBN-FRKPEAEDSA-N	422.897	4.632	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)[C@@H](C)CC)cc(Br)c1OC(F)F	726428416	LTWOJYCEWJADJX-OGGBREFQSA-N	402.235	4.971	50	20	HJGD	
Cc1nc(-c2ccc([C@@H](C)NC(=O)NNC(=O)CCCc3ccccc3)cc2)cs1	727840958	HLHTWRNHZHDCSG-MRXNPFEDSA-N	422.554	4.533	50	20	HJGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNc1nc(-c2ccccc2)no1	728080557	UWDSBYJLXUTJIZ-UHFFFAOYSA-N	412.449	4.510	50	20	HJGD	
O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1cccc(OC(F)F)c1	728434440	IYDCXODGVJVVBV-UHFFFAOYSA-N	417.393	4.689	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccc(C)cc1	728954906	SAVBJTDQLCFEKV-INIZCTEOSA-N	424.726	4.506	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(Br)cc1	729275556	MJMGWTSQGXYOIS-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NN=c2cc[nH]c3ccccc23)cc1C	730290336	DWCUXUHRVJFKIV-UHFFFAOYSA-N	400.507	4.577	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1ccccc1	731932138	ZTGGBQFRHKHEFR-OAQYLSRUSA-N	407.901	4.958	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc3ccsc3s2)c(C)n1C[C@@H]1CCCO1	735460876	GATUXAJKIXGAQI-TYWAAFNRSA-N	412.540	4.501	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCc3cc(F)ccc3[C@@H]2C)c1C	737699545	WOBGIOXKZACDEF-KNNTVDRYSA-N	409.505	4.504	50	20	HJGD	
CC(C)(C)CCCNC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	740512725	LNNVEHJCZJQCBS-OAHLLOKOSA-N	410.889	4.787	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@H]1Cc2cc(F)ccc2O1	740648603	UOMLLKRMCDRXTP-CJNGLKHVSA-N	405.800	4.987	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)c1C	742012094	HTTFUVSRMIFYCE-WBMMBVCFSA-N	407.558	4.584	50	20	HJGD	
Cc1cccc2oc(CCNC(=O)/C(C#N)=C\c3cc(C)n(CCC(C)C)c3C)nc12	742974491	ZJXYFWCCZUPTAA-STZFKDTASA-N	418.541	4.867	50	20	HJGD	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NNC(=O)c1ccc2ccccc2c1	746213661	ZFBGTKYUISSYBJ-CQSZACIVSA-N	415.415	4.906	50	20	HJGD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	747986588	UBRVBMWIVOZTFQ-UHFFFAOYSA-N	404.430	4.833	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cc(N(C)C)cc2C)c1C	752856471	KZLCOFXIYRQIKP-AGKWGAAGSA-N	408.546	4.541	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(C)nc(C(C)C)nc1SC	753172031	BMZLKJZNGLFLDX-UHFFFAOYSA-N	423.380	4.712	50	20	HJGD	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NNc1ccc(C#N)c(Cl)c1	753312816	HDAUPAILPNXUDX-UHFFFAOYSA-N	420.778	4.951	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)s1	753690351	LKHAZVKHSHTIKO-UHFFFAOYSA-N	411.630	4.947	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1cccc(COC2CCCCC2)c1	756245444	OWRNNFCNTBETRU-UHFFFAOYSA-N	418.497	4.551	50	20	HJGD	
Cc1ccc(C(=O)CC(C)(C)CC(=O)NNC(=S)Nc2cccc(Cl)c2)cc1	759357487	MTWSMAKXQFQTNE-UHFFFAOYSA-N	417.962	4.655	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1C	765323950	VQEJJVOSPFWXJY-NCKBRZGUSA-N	405.542	4.849	50	20	HJGD	
N#C/C(=C\c1ncccc1C(F)(F)F)c1nc(O)c2cc(Br)ccc2n1	765502808	SHAMPDZNGMABTG-RMKNXTFCSA-N	421.176	4.576	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1C(F)(F)F	767854244	BCEZVLMOEPGENA-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
O=P(CCN1CCC[C@@H](Nc2ccccc2)C1)(c1ccccc1)c1ccccc1	768556122	MOOYBPYTKQMWIN-HSZRJFAPSA-N	404.494	4.577	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3nccnc3C(C)C)c(-c3ccccc3)n2)cc1	772890022	HIEQVOYJRUCWME-UHFFFAOYSA-N	412.497	4.518	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1c(F)ccc(F)c1F	773192222	YUXLRVSSLPEJDI-UHFFFAOYSA-N	414.008	4.930	50	20	HJGD	
O=C(Cc1nc(-c2ccc(F)cc2)cs1)NNc1ccc(Br)c(F)c1	774082538	GDJVDDJXRHHQNN-UHFFFAOYSA-N	424.270	4.537	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1	776648024	UDZASAUABIOSTA-GHXNOFRVSA-N	414.899	4.594	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1sc(-c2ccccc2)nc1-c1ccccc1	781833940	QCJZWSSMZRXANL-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
O=C(NNc1nccc2sccc12)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	783440033	SIPLZGMSSZQAFP-UHFFFAOYSA-N	416.466	4.794	50	20	HJGD	
COCCOc1ccccc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	787146515	YZILNVXMUBKKBP-HNDQUVLASA-N	419.308	4.803	50	20	HJGD	
Cc1ccnc(-n2nccc2NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	788299961	OFVSUMOBTTWTTD-UHFFFAOYSA-N	411.680	4.685	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(OC)c2)c1C	790145326	BGPWQQLDWLPYIG-DUPVFGOHSA-N	401.894	4.520	50	20	HJGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2ccc(Br)cc2Cl)c1C	792483195	UCDVQEKASYKTFW-SECBINFHSA-N	400.708	4.727	50	20	HJGD	
COCC[C@H]1CCCC1=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	799866714	PYWAMPMEVLVFST-QGZVFWFLSA-N	422.554	4.778	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(Cl)c2ncccc12	800902538	OUHSIIPTVXGHOD-UHFFFAOYSA-N	412.621	4.686	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2)c1C	801070609	OSQSXKNHCMROAS-BJLUOBIUSA-N	407.514	4.691	50	20	HJGD	
Cc1sc([C@@H](C)NC(=O)NNc2cccc(F)n2)nc1-c1ccc(Cl)cc1	805194991	MZRABFBMLABBTE-SNVBAGLBSA-N	405.886	4.693	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](c2ccccc2)C2CC2)c1C	817088669	GRYVCTBAWJQYPS-NJLORSEFSA-N	405.542	4.529	50	20	HJGD	
CN(CCC#N)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	915843396	QLOKDEIRKPIXGF-SSZFMOIBSA-N	412.465	4.897	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c2c(c1)OCO2	915848021	HSUGIVGINCXDQG-XGICHPGQSA-N	419.662	4.685	50	20	HJGD	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1	915986187	ZAKGOFGIBGEVQO-SXGWCWSVSA-N	421.478	4.554	50	20	HJGD	
CCOc1ccc(C=NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1OC	916294837	ILGUJVDGYAGMGL-UHFFFAOYSA-N	422.456	4.576	50	20	HJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNC(=S)Nc1cccc(C)c1C	917021263	IHFWKWUCTXQSFM-UHFFFAOYSA-N	411.552	4.672	50	20	HJGD	
COc1ccccc1CN(CCP(=O)(c1ccccc1)c1ccccc1)C1CC1	917160363	ZUGIMZFHHADSGT-UHFFFAOYSA-N	405.478	4.674	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCO2)C(=O)c1cccc(Cl)c1	917518540	BZDFNPHEDUTJEK-MLPAPPSSSA-N	404.647	4.664	50	20	HJGD	
CC(C)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)sc1Cl	1798981547	NOSNCKLKIOSXOQ-JGPRNRPPSA-N	423.793	4.572	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)ccc2C)[nH]n1	1815323639	AMYOUDXYUXTTCI-HKUYNNGSSA-N	416.953	4.740	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2)CC1	1824614292	LGYPQTIAVXTSGA-UYEOAAJESA-N	416.993	4.727	50	20	HJGD	
CC(C)CCOc1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1	11296430	CJOGUGWHTPZUNY-NBVRZTHBSA-N	400.486	4.686	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(C#N)c3)c2)cc1	44024538	LHCBIXRXJGPZCN-BKUYFWCQSA-N	409.445	4.692	50	20	HJGD	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)c1ccc2c(c1)OCO2	195620446	MNJNXDLTZWYFQO-OQLLNIDSSA-N	404.403	4.842	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1	208121787	MSDYUEZJGAQSFZ-KAMYIIQDSA-N	410.836	4.528	50	20	HJGD	
O=C(Nc1ccc(F)cc1)C1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	726167862	CCUNBYGJRFPMHP-GOSISDBHSA-N	410.580	4.717	50	20	HJGD	
Cc1ccc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl	728600500	JTWCRXUCKRHAFR-UHFFFAOYSA-N	422.259	4.952	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)Cc3cccnc3)s2)cc1Cl	728785226	ACNQCKSXHXFVAR-UHFFFAOYSA-N	420.325	4.590	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)C(=O)Nc2ccccc2)c(C)n1CCC(C)C	730984586	DVAPISIDVBHDFZ-QNGOZBTKSA-N	420.557	4.592	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(F)cccc2N2CCCC2)c1C	731462698	XAIFDJCRFHHDGS-UOBPLZBXSA-N	424.520	4.597	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	733922588	KNMDDXOSLSCWGN-UHFFFAOYSA-N	422.916	4.636	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](N3CCCC3)CC2)c(C)n1C1CCCCC1	737691732	NTNVIFRGQGIXAK-SGXRDAIWSA-N	422.617	4.994	50	20	HJGD	
COc1ccc(OCc2nc(C=NNC(=O)c3cccc4ccccc34)cs2)cc1	741462932	RXQBARNNGLTWQY-UHFFFAOYSA-N	417.490	4.648	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCSCC3)cc2)c1C	741578652	WNVYCSVURWCDJH-HMMYKYKNSA-N	408.571	4.614	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1	743505844	HTRPOQIUHLQRQJ-CYBMUJFWSA-N	401.388	4.564	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1	744502980	WWIWZAPIHLAFBB-FJSNCCPHSA-N	423.538	4.656	50	20	HJGD	
CC[C@@H](NC(=O)NNc1c(F)cc(F)cc1Br)c1ccc(OC)cc1	745308584	UHRVVNSSONSFNO-OAHLLOKOSA-N	414.250	4.513	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1csc(-c2ccc(Cl)cc2Cl)n1	748000992	ZWEJAJUVTGQTJX-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
Cc1ccccc1C1(C(=O)NNc2ccc(Br)cc2Cl)CCOCC1	748775673	CMQUUWNFPWFCQD-UHFFFAOYSA-N	423.738	4.602	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1cnnc2ccccc12	748851436	GPJSPVXEFZTGID-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(CCC(F)(F)F)cc1	752259142	IGHJPVHNKAFHQL-UHFFFAOYSA-N	409.477	4.684	50	20	HJGD	
CN(C)CCCN(CCC#N)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	754889990	QEIJYPZPPDGKCQ-OAHLLOKOSA-N	422.904	4.605	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)c(C)n1-c1cccc(C(C)C)c1	755193886	JXUBAHISRWOBLS-UHFFFAOYSA-N	417.435	4.783	50	20	HJGD	
CCNc1nc(C)c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)s1	759257272	ZSSBVDHQHZRBKB-UHFFFAOYSA-N	424.151	4.710	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1	761376272	MOVBTVLORVLJAW-HDAKKWKLSA-N	414.440	4.814	50	20	HJGD	
CC(C)CCn1nc(C(=O)NN=C[C@H](C)c2cccc(Cl)c2)c2ccccc2c1=O	763354411	JKZOMSTVNPJBGX-INIZCTEOSA-N	424.932	4.615	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(Oc2ccccc2)ccn1	771675526	VHYLFAFINSIYDX-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	771836229	BGOFNBXYNVLHKF-MLPAPPSSSA-N	408.342	4.562	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(Cl)cc(F)c1Br	786541954	FVAMEWBYXYOVMM-UHFFFAOYSA-N	408.658	4.855	50	20	HJGD	
Cc1cc(NC(=O)CN(C)Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)no1	788011815	MREBVLYVAZEPJS-UHFFFAOYSA-N	403.599	4.575	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	792247083	YIBJKGADEHUUHB-UHFFFAOYSA-N	413.692	4.688	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCCN(C(=O)C3CC3)CC2)cc1	792879206	GEBMVYZKJSKAFY-UHFFFAOYSA-N	402.655	4.653	50	20	HJGD	
N#C/C(=C\c1ccccc1I)C(=O)c1ccc2ncccc2c1	794885586	UAJOOKWZDDPCQL-MHWRWJLKSA-N	410.214	4.629	50	20	HJGD	
CCOC1CC2(CCN(S(=O)(=O)c3ccc(S(F)(F)(F)(F)F)cc3)C2)C1	796148091	ZPUBIIXXEDLTRS-UHFFFAOYSA-N	421.453	4.924	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804207557	KPQGXJPCKBLWNK-UHFFFAOYSA-N	411.387	4.709	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c(Cl)cc1F	808865593	XEEWWKGYFWGYOK-GONKEYIRSA-N	415.896	4.931	50	20	HJGD	
CC1(C)CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@H]1[C@@H]1CCCO1	809853817	NTXLAMZZUTZWNY-KBPBESRZSA-N	421.453	4.922	50	20	HJGD	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NNc2cccc3c2CCCC3)s1	810684827	KIFRTIYXENMCKZ-UHFFFAOYSA-N	401.532	4.755	50	20	HJGD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NNc2c(C)cccc2C(C)C)c1C	812935078	WDMZLXOCINLFSC-UHFFFAOYSA-N	418.563	4.727	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)c1C	819014818	RHNRRKAMXMTSKF-QNGOZBTKSA-N	418.541	4.966	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1c(-c2ccccc2)nc2sccn12	839425911	OBFXJWMMMWZQRK-UHFFFAOYSA-N	410.502	4.909	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCCn2ccnc2)c(C)n1-c1cccc2ccccc12	912517985	IVFBEAZWSLQCPU-XQNSMLJCSA-N	423.520	4.557	50	20	HJGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	915843032	JGGAAAJMPGESBT-JIHKLPAASA-N	421.884	4.678	50	20	HJGD	
CC(C)Oc1ccc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1	915935948	XETLFCYNMVQIPR-UHFFFAOYSA-N	410.477	4.848	50	20	HJGD	
CC(=NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc2c(c1)CCC(=O)N2	915945524	RRXADBLFNWPRIH-UHFFFAOYSA-N	424.460	4.534	50	20	HJGD	
CCCOc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)ccc1OC	916129720	XRPQFLRBHNLBJI-BOPFTXTBSA-N	420.494	4.548	50	20	HJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1ccc(SC(F)F)cc1	917032308	ONQLHQHPNQQPTR-GHXNOFRVSA-N	422.840	4.972	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccn(-c3ccccc3)n2)c1C	917767040	NZBQTMTVLRPHRI-JWGURIENSA-N	415.541	4.656	50	20	HJGD	
O=C(NCCC1CCCC1)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918264040	VKDOGFRVYPGFPX-INIZCTEOSA-N	408.873	4.541	50	20	HJGD	
CN(C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CCCCC1	918285137	ANIXRXXAOIPSBX-MRXNPFEDSA-N	408.873	4.636	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OCCOC)c(Cl)c2)c1C	918663703	YCVREQGLPRAOFH-PDGQHHTCSA-N	415.921	4.739	50	20	HJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=Cc3ccccc3OC3CCCC3)sc2n1	920372706	ARGCMHADHCSPPE-UHFFFAOYSA-N	408.527	4.581	50	20	HJGD	
O=C(NN=Cc1ccc(-c2cccc(Cl)c2)s1)c1nnc(-c2ccccc2)o1	920384964	HUVHJQBHJFSGIJ-UHFFFAOYSA-N	408.870	4.882	50	20	HJGD	
O=C(CCCc1cc(Cl)sc1Cl)NNc1cncc(Br)c1	1319542890	MLQOVHLZPVUEHJ-UHFFFAOYSA-N	409.136	4.678	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCSC3)cc2)CCC1	1792283409	LESNTJPKWQCDLW-HNNXBMFYSA-N	408.995	4.529	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C)c2Cl)[nH]n1	1820859672	FXNZOTALNKYYQS-GOEBONIOSA-N	423.344	4.695	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	1824618861	MTYMERCZKOTZDJ-ZQOQTTQJSA-N	423.041	4.840	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2F)CC1	1830466319	PLIQRNOSVAYNHA-CTNGQTDRSA-N	422.972	4.775	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1	15665146	DWWCRROUQUALLR-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	725751565	VBPVDRVXYSGNCK-HOTGVXAUSA-N	402.626	4.558	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1Oc1ccccc1	725875153	NVONTNNPOAMZEU-HNNXBMFYSA-N	409.873	4.838	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-n3cccc3)c2)c1C	726934109	DIEWUICQCAVJCE-KOMLCTQHSA-N	402.498	4.649	50	20	HJGD	
N#C/C(C(=O)CSc1cc2c(cc1Cl)OCCO2)=C1/Nc2ccccc2S1	727268552	PVHJENGUAZIOHG-YBFXNURJSA-N	416.911	4.725	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2c(c1)C[C@H](C)O2	727744606	TWNMVRSUIOVNNJ-REPOHMLUSA-N	403.265	4.871	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OC(F)F)c1cc(F)ccc1Br	728435516	DBIWMAUYJMXNAH-UHFFFAOYSA-N	421.600	4.607	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1C	733228202	SMMIKQLQHADFJP-ULJHMMPZSA-N	418.585	4.545	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1	733791651	AZCSQYRJXKWSJZ-UHFFFAOYSA-N	417.962	4.568	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3cnnc4ccccc34)c(-c3ccccc3)n2)cc1	733811300	INFBPLVDRPCXQV-UHFFFAOYSA-N	420.476	4.548	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1	734304582	OSTUQEBPPCDHND-BOPFTXTBSA-N	408.864	4.505	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3C)o2)cc1	734307457	ZLBCKEBXYGGSOH-VBKFSLOCSA-N	403.413	4.898	50	20	HJGD	
C[C@H](Cc1ccccc1Cl)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743557595	UDGMKWVZUYVAJR-MRXNPFEDSA-N	422.916	4.974	50	20	HJGD	
O=C(NNC(=O)c1sccc1-c1ccc(F)cc1)c1ccc(Cl)cc1Cl	743741754	JDEOKVQEDCUYTJ-UHFFFAOYSA-N	409.269	4.936	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1ccc(-c2ccncc2)cc1	746424320	AADSPKXJWRZXJQ-GOSISDBHSA-N	424.504	4.536	50	20	HJGD	
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NNc1ccc(Cl)c(F)c1	746696943	FFEAMFRMAFYSGT-UHFFFAOYSA-N	409.248	4.649	50	20	HJGD	
N#Cc1ccc(NNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)cc1C(F)(F)F	746896681	OJSKFCICACBHRD-GJZGRUSLSA-N	424.220	4.586	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)cc2F)c1C	748047049	DPRGUHIOHYMGPH-MWJIIQFGSA-N	413.493	4.784	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1C(=O)NNc1ccc(Br)cc1F	748204066	QIFUJOQTDDUNAS-UHFFFAOYSA-N	424.270	4.692	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cn(-c2ccccc2)nc1-c1ccccc1	748763631	CXPXQEMIBIPPOB-UHFFFAOYSA-N	405.461	4.844	50	20	HJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	749463616	OFTMJXPYXPPHAO-FEZXJWFHSA-N	408.405	4.814	50	20	HJGD	
N#Cc1ccccc1N(Cc1ccco1)S(=O)(=O)c1ccc(CCCCl)cc1	751272239	NJDCGMNYQAAEHM-UHFFFAOYSA-N	414.914	4.718	50	20	HJGD	
CCc1csc(-n2cc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cn2)n1	762436799	RFNKAKFKTNVBBW-UHFFFAOYSA-N	416.721	4.608	50	20	HJGD	
O=C(NN=C(CC(F)(F)F)c1ccc(Cl)cc1)c1cc(Br)c[nH]1	763359576	QGAUZRJZBWYFPU-UHFFFAOYSA-N	408.605	4.517	50	20	HJGD	
CC(C)(C)c1nn(Cc2ccccc2)cc1C=NNC(=O)c1cccc2ncccc12	763364108	VWDQXXFZGORXOT-UHFFFAOYSA-N	411.509	4.541	50	20	HJGD	
C[C@H](C=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)CCC#N	765994510	WCZCRMNPLIWWMC-KRWDZBQOSA-N	410.477	4.656	50	20	HJGD	
Cc1cn(-c2ccccc2Cl)nc1C(=O)NNc1ccnc2cc(Cl)ccc12	767148732	WTDRSGJHXWXTGL-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)NNc1c(C)cccc1F	770815536	OZLDVYWNNWWFRB-KRWDZBQOSA-N	421.472	4.664	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cccc(NC(=O)CCCc2cccs2)c1	771706534	CHMDFDJHEHZYGQ-UHFFFAOYSA-N	411.502	4.914	50	20	HJGD	
O=C(NCc1cc(Cl)ccn1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773665186	XTSJSENLYUYDFW-UHFFFAOYSA-N	415.771	4.647	50	20	HJGD	
Cc1coc2ccc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)cc12	775447324	OIEGTJAHQRWTQX-KEBMYNNESA-N	403.482	4.884	50	20	HJGD	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)NNc1cccc(Cl)c1	775533482	SGLNSFMMKNVUFI-UHFFFAOYSA-N	400.910	4.669	50	20	HJGD	
CCNC(=O)N(C)NC(=O)c1ccc(N[C@H](C)c2cc(Cl)ccc2Cl)c(C)c1	780710833	YBJYYNQHMPFHNZ-CYBMUJFWSA-N	423.344	4.781	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCN(c2cncc3ccccc23)CC1	788621307	MFOPNGVGKVVLEX-GOSISDBHSA-N	401.601	4.598	50	20	HJGD	
Cc1cccnc1NNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	791223024	WAHYJWTYNPSCCX-UHFFFAOYSA-N	414.874	4.860	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1csc(-c2cccc(Br)c2)n1	792636337	VRLIWXQQVTVAJQ-DHDCSXOGSA-N	411.346	4.652	50	20	HJGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C[C@H](C2CC2)O1	795207549	DCMDMVRFXOVKNS-QMTHXVAHSA-N	407.426	4.532	50	20	HJGD	
Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NNc2cccc(Cl)c2C)c1	799835545	RNQHMKDNPGBQHJ-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1C	801069205	ZQVODRHLUCWEAU-NDENLUEZSA-N	418.493	4.970	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(Br)c(OC(F)(F)F)c1	801114583	DODKKEVLQYKNEE-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
O=C(NNC(=O)[C@@H]1SCCc2sccc21)Nc1ccc(-c2ccccc2)cc1	802037970	WGHSBCUYBRHVRN-LJQANCHMSA-N	409.536	4.598	50	20	HJGD	
CC(C)(C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1	802047033	ZZNOOKWIGZULPU-UHFFFAOYSA-N	413.424	4.572	50	20	HJGD	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	806183276	BYBUBDOIUMJOQZ-IOASZLSFSA-N	421.916	4.996	50	20	HJGD	
CC(C)Cc1ccc([C@@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C2CC2)cc1	806670093	RACNIPSVUHNDEZ-JOCHJYFZSA-N	404.514	4.504	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc3cccnc23)c1C	808438623	IJSWYHUSFQCFOF-SLCIXIPPSA-N	403.482	4.511	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H]2C[C@@H](c3ccccc3)C2)c(C)n1C[C@H]1CCCO1	809104469	PRILCLVHLJNLOO-WSRJGGATSA-N	404.510	4.680	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	876963109	BVCBJYFXMJSCKM-UHFFFAOYSA-N	401.394	4.781	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1C	914486731	ATUDOXNKXDWNNI-KFZMYSCVSA-N	423.557	4.884	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1ccc(Cl)cc1	914693171	NPUKZYZAHAQYNX-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(-c3cccc(Cl)c3)s2)cc1C	914693561	GYWOJGGCUKLVAY-UHFFFAOYSA-N	411.914	4.774	50	20	HJGD	
O=C(NNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)c1ccccc1F	915874546	MIDPEFOZPRRMBK-UHFFFAOYSA-N	420.337	4.725	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)c2ccccc2c1=O	916326114	ZWGKVNRQHPHFNY-ZWKOTPCHSA-N	408.546	4.663	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1	918681491	IJNRDMFZNAPEFG-LTGZKZEYSA-N	417.509	4.503	50	20	HJGD	
CCCOc1ccc(OC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	928208946	PJUIGNNMGCVGII-QFXXMJIKSA-N	408.498	4.585	50	20	HJGD	
O=C(NNC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)c1ccccc1Cl	1251721416	YDSGZPHYLADAFK-UHFFFAOYSA-N	417.852	4.737	50	20	HJGD	
CC[C@H](C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1)N(CC)CC	1786011765	UCBGOMHHMLZCOH-LJQANCHMSA-N	422.013	4.506	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3C)C2)CC1	1805091291	FFWCIYVGSWAAFH-GOSISDBHSA-N	411.373	4.511	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C(C)C)CCC2)n[nH]1	1823063077	HBKBIEYNUOLSKX-RDJZCZTQSA-N	408.974	4.636	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(-n4cncn4)c(F)c3)n2)cc1	141609911	VUYMJTWLNASWTK-PXNMLYILSA-N	403.442	4.603	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1OC	141613663	XPTMFUDMRUBJGB-YVLHZVERSA-N	403.463	4.772	50	20	HJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	206872261	AWDJNIXVJKLMKG-RIYZIHGNSA-N	420.387	4.667	50	20	HJGD	
Cc1occc1-c1nnc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)o1	209285603	MTIAYXNFJYVINM-AFSRSGBESA-N	410.480	4.641	50	20	HJGD	
CCOC(=O)N1CCC[C@H](C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	302930921	FLCFYOAQAVKGJA-NHYWBVRUSA-N	424.872	4.713	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=S)Nc1ccc(Oc2ccccc2)cc1	727705783	YZFRKIQINUXQED-UHFFFAOYSA-N	405.523	4.819	50	20	HJGD	
CCC[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	728956000	IUGNOXBCMZRBCF-INIZCTEOSA-N	424.726	4.588	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)c1cccc2ncccc12	730146216	KRRFGCHEJFTWJJ-UHFFFAOYSA-N	417.900	4.514	50	20	HJGD	
COc1ccccc1CC(=O)NN=Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl	731150801	FVFOLKINPUZXCG-UHFFFAOYSA-N	424.932	4.660	50	20	HJGD	
N#C/C(=C\c1occc1Br)S(=O)(=O)c1cc(Cl)ccc1Cl	735305645	WUSGRBJFSXBGER-RMKNXTFCSA-N	407.072	4.687	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(CN(C)C)cc2)c1C	738519076	CFOFQJLWKMFKTB-BUVRLJJBSA-N	406.574	4.532	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1C	739821138	WVNKWJYZVIKWMM-JCAJYURWSA-N	424.520	4.791	50	20	HJGD	
CC(C)(C)C(=O)NCc1ccc(C(=O)NN=C(c2ccccc2)c2ccccc2)cc1	741506547	IBMQYCLFDYWHNI-UHFFFAOYSA-N	413.521	4.531	50	20	HJGD	
CC(C)(C)Cc1nc(-c2cccc(C(=O)NNc3nccc4sccc34)c2)no1	743415959	HPGHDPUKIVPLGC-UHFFFAOYSA-N	407.499	4.692	50	20	HJGD	
O=C(NNC(=O)N[C@@H]1CCSc2ccccc21)Nc1ccc(-c2ccccc2)cc1	743527643	WWEMIOAOHJXIHL-HXUWFJFHSA-N	418.522	4.926	50	20	HJGD	
CCC(CC)[C@H](NC(=O)NNC(=O)c1cccc(Br)c1)c1cccs1	745700527	BAFFWXFILAABPJ-INIZCTEOSA-N	424.364	4.632	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(Br)cc1Cl)C(=O)c1cccc(F)c1	746411376	NPMODMYVOLJJQB-JTQLQIEISA-N	413.674	4.594	50	20	HJGD	
O=C(NN=Cc1sc(Oc2ccccc2)nc1Cl)c1cccc2cccnc12	747356774	XBADDRQBSNGDHT-UHFFFAOYSA-N	408.870	4.901	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(F)cc2Br)cc1	748074478	AWNFQCVKYZXLRX-UHFFFAOYSA-N	424.270	4.692	50	20	HJGD	
Cc1cccc(-n2ncc(C(=O)NNc3cccc4cnccc34)c2C(F)(F)F)c1	748767157	KWQITOOOFANFLA-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
O=C(NCc1ccc(Oc2cccc(F)c2)nc1)NNc1ccccc1C(F)(F)F	749183073	JQCBEVOXBBSELF-UHFFFAOYSA-N	420.366	4.858	50	20	HJGD	
Cc1nc(O)c(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1-c1ccccc1	750233223	PYGKPCROFPZIKS-UHFFFAOYSA-N	404.857	4.721	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@@H](CC1CCCC1)c1ccccc1	752698152	ZSICAVDBBRKSCQ-QFIPXVFZSA-N	402.498	4.500	50	20	HJGD	
CCOC(=O)C(F)(F)[C@@H]1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C1	752719781	ASDQPLYNSOSDFF-CYBMUJFWSA-N	424.444	4.639	50	20	HJGD	
O=C(CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)NCCc1ccccc1	753924946	BPORNEQUCXRVTK-UHFFFAOYSA-N	423.407	4.824	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc3c(C)cccc3[nH]2)c1C	754700148	LOKNSBFBFSXAPG-YEWRBRKMSA-N	405.498	4.752	50	20	HJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccc(OC(F)(F)F)cc3)o2)cc1	761600537	YEJROOMJTHIDKZ-UHFFFAOYSA-N	405.376	4.625	50	20	HJGD	
COCc1ccc(C=NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)o1	764654815	PMOGUPKDEHTUMZ-UHFFFAOYSA-N	414.461	4.922	50	20	HJGD	
N#C/C(=C\c1ccc(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1Br	765612357	AIORKXIGHGDTGR-BJMVGYQFSA-N	424.048	4.890	50	20	HJGD	
CCCC[C@@H](COC)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773293003	PHYCEDNUIUJWRW-LBPRGKRZSA-N	404.401	4.604	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc3ccccc3n2)c2cc(Br)ccc2n1	777464601	UZCVIBOWQOIDDO-UHFFFAOYSA-N	407.271	4.611	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)c(F)c1	784283233	RNSLFNXOOBLXNR-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)C(=O)Nc1ccc2oc(C)c(C)c2c1	785164265	DIAKLMARPPCSRL-UHFFFAOYSA-N	422.872	4.641	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cc3ccccc3o2)c(C)n1C[C@@H]1CCCO1	786239992	GWAINJSUDSWPFQ-UEUBSKPWSA-N	417.509	4.815	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(Br)c3cc(C)oc23)ccc1Cl	790179925	CEMJCTCEJQYEOT-UHFFFAOYSA-N	409.667	4.923	50	20	HJGD	
Cn1c(-c2ccccc2)c(C(=O)/C(C#N)=C/c2cn(C(C)(C)C)nn2)c2ccccc21	790216883	WCICKBPJTJDPEN-NBVRZTHBSA-N	409.493	4.982	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1cnc2ccccc2n1	790228642	RBVKISVZKRXNNU-UYRXBGFRSA-N	400.445	4.942	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)c1C	790444019	UCKRPTCIGFSTFW-MEYCGPFISA-N	424.472	4.654	50	20	HJGD	
CCCCCn1nc(C(=O)NNc2cc(Cl)cc(Cl)c2)c2ccccc2c1=O	791732875	NKALUOYRRIHUMW-UHFFFAOYSA-N	419.312	4.650	50	20	HJGD	
COc1cccc(NC(=O)[C@H](OC(=O)/C(C#N)=C\c2ccccc2)c2ccccc2)c1	793070930	FKLPSMMIDFCPKO-HVQRGMKJSA-N	412.445	4.525	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCCc3ccc(F)cc32)c1C	794058194	AUGCMSWBBKFKCU-VJWHAJRWSA-N	409.505	4.552	50	20	HJGD	
CCc1ccnc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	797844087	GKUVMSZLGQXZJM-UHFFFAOYSA-N	402.410	4.780	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1nc2ccccc2cc1Br	809751757	KAOSLHPPZGOPIG-UHFFFAOYSA-N	407.271	4.611	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1C	810173727	HOVKGNQPISXSKD-NNVJWPDASA-N	405.542	4.795	50	20	HJGD	
COC(=O)c1nc([C@@H]2CCCN2Cc2ccc(OCCCCl)cc2)sc1C	811498052	JMCHYRQQNZXFIS-KRWDZBQOSA-N	408.951	4.583	50	20	HJGD	
CCSc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1	814143577	DEXVFWGFCXHHQW-MUIAGPEESA-N	423.582	4.619	50	20	HJGD	
CCN(Cc1ccc(C(=O)NNc2ccc(OC)cc2C(F)(F)F)cc1)C(C)C	816703855	VWMATPRBPAKQPG-UHFFFAOYSA-N	409.452	4.701	50	20	HJGD	
CC(C)c1nn(C)c(Cl)c1C=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	915953773	BLGSPAFNHRPCMX-UHFFFAOYSA-N	404.898	4.828	50	20	HJGD	
COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c(OC)c1	916141019	VCFMFHQGLQAUIF-XFFZJAGNSA-N	407.253	4.565	50	20	HJGD	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCSc2ccccc21	918184954	UXNVVCLXDMOKSH-GFCCVEGCSA-N	402.829	4.617	50	20	HJGD	
CCc1nc2cc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)ccc2o1	918639590	FCONMNYAYMBPIA-OLROSQPISA-N	418.497	4.533	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1csc(COc2ccc(C)cc2)n1	920064475	CEENPYCKRJDANM-LFIBNONCSA-N	405.479	4.585	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2c(C)nn(Cc3ccc(C)cc3)c2C)n1	920387205	IYEMKSUAJAXSLI-VCHYOVAHSA-N	406.511	4.554	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](OC)c3ccccc3)cc2)CCC1	1787852954	YRPFZTMZFJXOJV-UXHICEINSA-N	414.933	4.526	50	20	HJGD	
CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)[C@H](F)Br)cc3)CCC2)CC1	1790534333	LDJURMXYYOKBGL-YOEHRIQHSA-N	423.326	4.557	50	20	HJGD	
Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Br)cc3)CCC2)c1	1791437876	PZQRXVZGRVXEMF-HNNXBMFYSA-N	415.331	4.526	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Cl)n[nH]1	1820423025	LDLPWTDKNOAYDY-DOTOQJQBSA-N	423.344	4.777	50	20	HJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1[N+](=O)[O-]	7156864	RMIMAIBYEAFBHD-XSFVSMFZSA-N	412.449	4.586	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@H](C)c1ccc(SC(C)C)cc1	728960082	LDMKPPWQNPBCAT-CYBMUJFWSA-N	421.950	4.554	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)o1	729968291	MXRRYTJCLHBWPV-SFHVURJKSA-N	410.474	4.785	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(F)cccc2-n2cccn2)c1C	730195621	DCJBYHZMDFXJFX-RGEXLXHISA-N	405.477	4.776	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(-c2ccc(Cl)cc2)cc1F	730284062	FESZOWBNZRAKGZ-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1	732442422	OBJMBVVIMAXPAC-YADHBBJMSA-N	421.928	4.954	50	20	HJGD	
CC(=O)NCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1	733111525	AWHCVZMUEVNRPR-HMAPJEAMSA-N	418.541	4.792	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1cccnc1Nc1cccc(C(F)(F)F)c1	733809875	KRHCEWOAVIQZOE-UHFFFAOYSA-N	424.386	4.544	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ncccc2Cl)cc1	734245671	CUIULRLAKZJNDG-UHFFFAOYSA-N	417.900	4.907	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1-c1ccc(Cl)cc1	740050061	YSWIRNKMGOSTAV-HNNXBMFYSA-N	418.884	4.584	50	20	HJGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1c(Cl)nc2sccn12	741837433	JZDHAYRCKBEZDP-CYBMUJFWSA-N	412.902	4.510	50	20	HJGD	
Cc1cc(NNC(=O)[C@@H](C)c2ccc(Br)s2)ccc1Br	743415706	DVHZEUNIAYACKG-VIFPVBQESA-N	418.154	4.828	50	20	HJGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)Nc1ccc(-c3ccccc3)cc1)CC2	743596583	VFPSVIUGLGPQBP-JOCHJYFZSA-N	400.482	4.685	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	743821361	MVEVARPPSGYKET-CABCVRRESA-N	414.745	4.768	50	20	HJGD	
CCOc1cc(C=NNC(=O)N(C)C)ccc1OCc1c(Cl)cccc1Cl	745605268	NSHFFKSAFQAAHS-UHFFFAOYSA-N	410.301	4.576	50	20	HJGD	
COc1ccc(Br)cc1CNC(=O)CCCC[C@@H]1CCSS1	747427603	CWHLXXKEMAUDCY-CQSZACIVSA-N	404.395	4.788	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(S(=O)(=O)CC)ccc1F	748673110	WXSDKDHHQMMJCJ-UHFFFAOYSA-N	420.531	4.570	50	20	HJGD	
CCCn1c(C)c(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c2cc(OC)ccc21	748722089	LQSVJHIAJYZGBF-UHFFFAOYSA-N	416.865	4.687	50	20	HJGD	
Cc1nc(O)c(C(=O)NNC(=S)Nc2ccccc2C(C)C)cc1-c1ccccc1	750237689	AXNOCOUEDNJFPT-UHFFFAOYSA-N	420.538	4.517	50	20	HJGD	
N#C/C(=C\c1cnc(-c2cccs2)s1)C(=O)Nc1nc(-c2ccncc2)cs1	751512617	JEGNRIMUENHBQG-MDWZMJQESA-N	421.532	4.936	50	20	HJGD	
Cn1cnnc1C1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752971380	AFWRDYGDEJFVDN-UHFFFAOYSA-N	411.400	4.884	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1ccc(-c2ccccc2)nn1	754467806	QWUSJPDHXQPUNT-UHFFFAOYSA-N	421.913	4.606	50	20	HJGD	
C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758538276	IIPKTXYHPLCZQX-GFCCVEGCSA-N	422.485	4.695	50	20	HJGD	
Cc1ccc(-n2cc(/C=C(/C#N)c3nnc4n3CCCCC4)c(C(C)(C)C)n2)cc1	759118790	DIKZQSDRTZUXQU-JXAWBTAJSA-N	400.530	4.860	50	20	HJGD	
Cc1csc2ncc(C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)c(=O)n12	762521577	ROGJNWXDZALGAP-UHFFFAOYSA-N	411.377	4.974	50	20	HJGD	
CCNC(=O)NC1(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCC1	762751577	AVJPBSGXFHDVTH-UHFFFAOYSA-N	401.401	4.914	50	20	HJGD	
O=C(CSc1ccccc1O)NNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	763906680	CDPYXCBZQILAQD-UHFFFAOYSA-N	421.482	4.753	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1cc2ccccc2n1Cc1ccccc1F	765989567	RZTRBBWSBDARAY-UHFFFAOYSA-N	411.440	4.529	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)c(C)c1	766555791	PFRBQAMSDCMUCG-APWZRJJASA-N	405.608	4.777	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1C	766563120	DKZLUBHQSZHMHX-JRXNCPAPSA-N	416.500	4.862	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Br)cc1OC	769778508	YHDXTXOSZOOVHD-KPKJPENVSA-N	421.678	4.665	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNc3ccc(Cl)nn3)cc2Cl)cc1	769976348	MZLWKFSTEGOFPN-UHFFFAOYSA-N	415.240	4.596	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(/C#N)C(=O)c3cc(F)cc(F)c3)cc2)oc1C(=O)O	772174653	CMTGNMMWTVJOJJ-APSNUPSMSA-N	423.371	4.933	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cc(Br)c1O	773149784	KSSDFPMHFOPOQV-WMZJFQQLSA-N	410.626	4.746	50	20	HJGD	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	775175962	IJFJKQKIQIFJEW-DIKOGFFKSA-N	423.479	4.535	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(F)cc(Cl)cc2F)c1C	775498688	ANNFTQYOPUHEKJ-CJTQKWKHSA-N	407.848	4.790	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2ccc3ccccc3n2)s1	777464550	RCWTYJCCUQHOHO-UHFFFAOYSA-N	403.467	4.697	50	20	HJGD	
CC1CCN([C@H](C)CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	777909817	BSKYHAWBJFHTQR-CYBMUJFWSA-N	422.485	4.743	50	20	HJGD	
COc1ccc2nc(NNC(=O)CCCCC(=O)c3ccc(F)cc3)c(C)cc2c1	779056891	JSBNBKQQFNLHGZ-UHFFFAOYSA-N	409.461	4.577	50	20	HJGD	
COc1cccc([C@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)CCCCCl)c1	780837800	VMBJKPYWCLRAEH-SFTDATJTSA-N	407.963	4.575	50	20	HJGD	
COc1ccc(C(=O)CCCCCC(=O)NNc2ccccc2Br)cc1	789820801	KFBGOTDQCVURKZ-UHFFFAOYSA-N	419.319	4.734	50	20	HJGD	
C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	796115782	QZVWXSIGRJEPKU-CHWSQXEVSA-N	420.469	4.591	50	20	HJGD	
CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	805301594	QRWQCDLOFXZRSF-DLBZAZTESA-N	416.653	4.996	50	20	HJGD	
CC(=O)NCC[C@H]1CCCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1	805823380	YORKTZZWPLYOSB-HXUWFJFHSA-N	404.671	4.947	50	20	HJGD	
O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NNc1cccc(C(F)(F)F)n1	806904132	UYOVQXXAVKOCAW-UHFFFAOYSA-N	420.218	4.904	50	20	HJGD	
COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NNc1c(C)cccc1C(C)C	813048414	WEMXJPCPUCKTAN-UHFFFAOYSA-N	410.301	4.516	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1sc2cccc(F)c2c1COc1ccccc1	842471282	SXZNRISZZRMZMW-UHFFFAOYSA-N	416.474	4.789	50	20	HJGD	
N#C/C(=C\c1ccc(-n2cncn2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	884003931	VKEFLTQFEDXFLG-XMHGGMMESA-N	407.433	4.605	50	20	HJGD	
Cc1ccc([C@H](C)N(C)C(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	914495353	CDQJPUBLXYAHIW-FWIZOMFXSA-N	405.542	4.719	50	20	HJGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1nc(-c2ccncc2)cs1	916132803	QPHCULCTFOWVHX-ZSOIEALJSA-N	400.385	4.770	50	20	HJGD	
O=C(NN=Cc1cn(Cc2ccccc2)nc1-c1cccs1)c1ccccc1F	916292359	YBTCGFRGOFWXAH-UHFFFAOYSA-N	404.470	4.563	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1	920387109	IMWVUYNKAPILPR-UKTHLTGXSA-N	418.400	4.588	50	20	HJGD	
COc1cc(C(=O)NN=C(C)c2ccc(OCC(F)(F)F)cc2)ccc1OC(C)C	920481929	CYIRSAIADJYRQV-UHFFFAOYSA-N	424.419	4.578	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC2(c3ccc(F)cc3)CCCC2)c1C	920820493	FFKLXZKAFUTBCD-SXZORUHJSA-N	423.532	4.944	50	20	HJGD	
Cc1ccc2nc(COc3ccc(C(=O)NNc4ccc(C)c(Cl)c4)cc3)cn2c1	1317786959	YNCOIFCLJAEDIS-UHFFFAOYSA-N	420.900	4.940	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCCc3cccnc3)CCC2)cc1	1790487786	BQDFCIZAKYKTNR-HXUWFJFHSA-N	413.949	4.556	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Br)cc2)CCC1	1791434436	JVZXVAVFSMYXSY-QAPCUYQASA-N	419.363	4.672	50	20	HJGD	
Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)ccc1F	1824014446	PVCVNTJAPLSOJL-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(C)c2)CC1	1824614453	CSSVOLUKFJWLNP-FPOVZHCZSA-N	422.972	4.775	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)F)c2)c(-c2ccccc2)n1	725754969	KVLJSMJEXAYGGS-PDGQHHTCSA-N	417.419	4.947	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Br)cc2Cl)[nH]c(C)c1C(C)=O	729276511	GSASKLGMNAVDFK-UHFFFAOYSA-N	412.715	4.651	50	20	HJGD	
CCc1oc2ccccc2c1C=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	730548265	YRQDTRHRMIOJFW-UHFFFAOYSA-N	411.676	4.697	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCc2nc3cc(Cl)ccc3s2)c(C)c1	730596163	MCGBCOSSJYOITE-UHFFFAOYSA-N	418.975	4.517	50	20	HJGD	
C[C@@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)C(C#N)=C1Nc2ccccc2N1	730935739	GZXXUNKNXDOHLV-LLVKDONJSA-N	423.885	4.712	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1ccccc1	731997727	SZNNRRXEOJTKHL-NGYXKBBWSA-N	408.498	4.769	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1[nH]c2ccc(Cl)cc2c1Cl	732976958	UTMPONDZSXWGEX-UHFFFAOYSA-N	422.659	4.935	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCN(C2CCC2)CC1	733618663	JGYTUBUWWHQZEV-OAHLLOKOSA-N	407.889	4.608	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc(C)c(C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F	741474857	SJLNIXHQJXMXDE-UUILKARUSA-N	413.377	4.682	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)c1	743820780	PWFXPZDYGTVCEY-HXUWFJFHSA-N	421.541	4.868	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](CN(C)CC3CC3)C2)c(C)n1C1CCCCC1	746347287	ZKXVHBWJTARRRO-XYUXXQEKSA-N	422.617	4.707	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3cccc([N+](=O)[O-])c3)c(-c3ccccc3)n2)cc1	748000727	VJHXMMPNLXTFDG-UHFFFAOYSA-N	413.437	4.513	50	20	HJGD	
Cc1cc2oc(=O)cc(COC(=O)/C(C#N)=C\c3ccc(O)cc3)c2cc1C(C)C	750665725	DATXZHPIKMAVDO-MFOYZWKCSA-N	403.434	4.581	50	20	HJGD	
O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NNc1cc(Cl)ccc1Cl	752813043	OXRNYSWUBAJHEH-UHFFFAOYSA-N	422.293	4.531	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cnn(-c2ccccc2)c1C1CC1	754148443	WYSXQJLKOMYRQF-UHFFFAOYSA-N	404.367	4.665	50	20	HJGD	
O=C(NC[C@@H]1CSCCS1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	756064824	XAMQLCDIIXFAJJ-SKDRFNHKSA-N	416.943	4.876	50	20	HJGD	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762968655	MOZQAPQWCMJTTQ-VHSXEESVSA-N	410.430	4.629	50	20	HJGD	
CCSc1cccc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	766261813	LQOGPXOANONVSF-UHFFFAOYSA-N	418.733	4.841	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccccc1OCc1ccccc1Cl	766675878	YDLFXGBZMAPVCW-UHFFFAOYSA-N	410.886	4.681	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)[C@H](Br)C(C)(C)C)cc1	781099609	RVNJPENUYCBLJP-CJNGLKHVSA-N	412.372	4.547	50	20	HJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1CC(C)(C)O	782074204	ZYYVOZUZOMMYIX-LBPRGKRZSA-N	417.444	4.653	50	20	HJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	782522176	AFCMMCXSURGBIE-MAYQHFBPSA-N	403.360	4.552	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)n2)c1C	782847860	SXOARNXPGAJCAF-IYVNWDGISA-N	407.301	4.560	50	20	HJGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)c1ccc(F)cc1Br	785454160	XFQRUKQURVVLGJ-UHFFFAOYSA-N	403.173	4.679	50	20	HJGD	
N#C/C(=C/c1ccccc1OCc1ccccn1)C(=O)NCc1cccc(Cl)c1	786044612	PTHNYULTSUMFGL-UYRXBGFRSA-N	403.869	4.537	50	20	HJGD	
CC(C)C(=O)NC1CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1	788011318	FUQOSWSJZSEUGQ-UHFFFAOYSA-N	404.671	4.945	50	20	HJGD	
Cc1cccc2c1OCC[C@H]2OC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	789493209	IEAPVGPKLCFNEY-WDNDMZGNSA-N	420.509	4.566	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccc(-c2ccccc2C(F)(F)F)o1	789814539	SVJIEWCXRWETMK-UHFFFAOYSA-N	404.373	4.727	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3c(Br)c(C)nn3C)n2)cc1	790602799	HJVMFOOOPYLEEL-JYRVWZFOSA-N	415.316	4.687	50	20	HJGD	
Cc1c(NC(=O)NN(Cc2ccccc2)c2ccccc2)cccc1NC(=O)N(C)C	791912137	UWTVRCKFTOZZBW-UHFFFAOYSA-N	417.513	4.832	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c(Cl)c1	794746937	ADDNVWGWSKKTGR-UHFFFAOYSA-N	416.868	4.723	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3CCC[C@@H]3CCF)cc2)n1	794859840	DXLIWXSMXOFYKY-QGZVFWFLSA-N	400.523	4.631	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ncc(C=NNC(=O)c2c(Cl)cccc2Cl)s1	799879282	WZUUMLJWMKFUQE-UHFFFAOYSA-N	415.302	4.561	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCC2(c3ccccn3)CC2)c(C)n1C1CCCCC1	802576449	RQTNVWONGFRQMU-RCCKNPSSSA-N	402.542	4.760	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3C)cc2)cc1	805373524	RXJVADOCQWTARB-UHFFFAOYSA-N	405.410	4.655	50	20	HJGD	
O=C(NN=Cc1c[nH]nc1-c1cccs1)c1cc(-c2ccncc2)nc2ccccc12	812379755	ZVQGTWUZCSTTJL-UHFFFAOYSA-N	424.489	4.512	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2cccc(F)c2)C(C)C)c1C	914501595	CDXNAUADVUTFMG-YPKZHZFPSA-N	411.521	4.796	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(C(C)C)c([N+](=O)[O-])c1	915852103	UPCRISBVPWLXPU-SXGWCWSVSA-N	409.442	4.630	50	20	HJGD	
CCCCC[C@@H](C)NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	915885326	CYWJOYRGZHXMQE-QGZVFWFLSA-N	404.514	4.815	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	915913811	CBZKAZYBYKDYNP-NRFANRHFSA-N	418.884	4.555	50	20	HJGD	
CC(=NNC(=O)COc1ccccc1C#N)c1ccc2c(c1)Nc1ccccc1S2	916324088	QTKULIBYJSEXTH-UHFFFAOYSA-N	414.490	4.686	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNC(=O)Cc1ccc2ccccc2c1	917545642	VVGZETLMCJNFOS-UHFFFAOYSA-N	416.912	4.989	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc(Cl)ccc1Br	918320353	HSWRNBZQETWFSQ-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2Cl)c2ccc(F)cc2n1	1261206669	WPZHAKVJAXCVDM-UHFFFAOYSA-N	408.658	4.855	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(Br)sc2Br)cc1Cl	1318887021	NGFZAJFRSMROLI-UHFFFAOYSA-N	424.545	4.992	50	20	HJGD	
O=C(C#CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl	1800010199	KGALGXZEQUEQIJ-KOUNCHBCSA-N	421.025	4.788	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(Cl)c2)n[nH]1	1823192073	NCGUUEDTZZERPO-DOTOQJQBSA-N	423.344	4.695	50	20	HJGD	
CC(C)(C)c1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)cc(C(C)(C)C)c1	1845418941	WGUGTCGBAWAAGW-GOSISDBHSA-N	422.972	4.633	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCCC3)cc2)c1C	10237437	JPSOZGQTLFXTHX-QTCOBDOFSA-N	420.557	4.848	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC(=O)c1c(Cl)cccc1Cl	727778642	DDIPEPICHHNGNF-UHFFFAOYSA-N	423.250	4.838	50	20	HJGD	
COc1ccccc1[C@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1	727831913	GVVDPRDZYABROK-XMMPIXPASA-N	405.478	4.846	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cnn(-c3ccc(F)cc3)c2)c(C)n1CC(F)(F)F	728176245	QLRYASYGYCZKBS-PXNMLYILSA-N	416.378	4.782	50	20	HJGD	
CC(C)c1ccc([C@H](NC(=O)NNC(=O)c2cccc(OC(F)F)c2)C(C)C)cc1	728599335	BOKVLBDRAIDLHI-LJQANCHMSA-N	419.472	4.753	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CCCN(c2nc3ccccc3s2)C1	728716839	VTGGJVPDCXKUCJ-ZDUSSCGKSA-N	420.460	4.675	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)cc1	728887445	VHCSPOKCJFVOPA-AQTBWJFISA-N	418.474	4.912	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3C(=O)O)c2)c1	731562843	HSBMTFMXOMZZCI-DEDYPNTBSA-N	412.445	4.818	50	20	HJGD	
CCOC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1	733763413	UEUHDMZFYOOJKS-VLDJDNEVSA-N	405.542	4.585	50	20	HJGD	
O=S(=O)(Nc1ccc(Oc2ccccn2)cc1)c1ccc(CCCCl)cc1	733773987	PVYSYAXQHSSBPW-UHFFFAOYSA-N	402.903	4.846	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ncc(Cc2ccccc2Cl)s1	733874172	UUADKIWGLFNQBW-UHFFFAOYSA-N	409.342	4.692	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	734657690	KBCHFQRVLCOGHO-JIGDXULJSA-N	423.279	4.640	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](Cc1ccccc1)c1sccc1C)c1ccccc1	737066040	HCAKJMYZXKHLLY-SFTDATJTSA-N	421.566	4.865	50	20	HJGD	
CC(=NNC(=O)c1sc(-c2ccccc2)nc1C)c1c(Cl)nc2sccn12	741838076	PCBOALTTYUHALR-UHFFFAOYSA-N	415.931	4.635	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F	741922439	DHZYBVXTFFTUML-SECBINFHSA-N	405.203	4.577	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CCCc2nc3ccccc3[nH]2)c1C	743919184	AXAXURKOCFTSFJ-LTGZKZEYSA-N	417.557	4.780	50	20	HJGD	
CSc1cccc([C@@H](NC(=O)NNC(=O)OC(C)(C)C)c2ccc(F)c(F)c2)c1	745903737	MXVNBYNUBNZWAX-QGZVFWFLSA-N	423.485	4.515	50	20	HJGD	
Cc1cc(-c2noc(CCC(=O)NNc3ccc(Cl)cc3Cl)n2)ccc1F	748007805	BUUXMSXTKXRFIE-UHFFFAOYSA-N	409.248	4.567	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCC2	748018227	KYAUPZHKIJPSON-UHFFFAOYSA-N	405.260	4.564	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O	748667327	LGJSVNRPVYAERZ-JOCHJYFZSA-N	421.566	4.859	50	20	HJGD	
O=C(NCCC(c1ccccc1)c1ccccc1)NNC(=O)c1cc2ccccc2o1	749309746	GCRBONWZSRUOMS-UHFFFAOYSA-N	413.477	4.599	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNc2cc(Cl)ccc2Cl)c1C	752808933	ZIKLSCDAWADQPH-KHAFMBKQSA-N	421.328	4.669	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccco1	752812471	IDQBLUQIZNHHOA-UHFFFAOYSA-N	404.253	4.904	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3csc(C)n3)c2C)cc1	753907725	XRKXDOADAACTCZ-ZDLGFXPLSA-N	407.495	4.518	50	20	HJGD	
Cc1sc([C@H](C)NC(=O)NNc2ccc(Cl)nn2)nc1-c1ccc(Cl)cc1	755322308	VLDFUCJBIVMTDL-VIFPVBQESA-N	423.329	4.603	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1ccc(Cl)cc1Sc1ccc(Cl)cc1	755640918	XWLXOWWTDRUGDI-UHFFFAOYSA-N	409.273	4.831	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1ccc(SC2CCCC2)cc1	755739914	ZSFBONPJPQRNFI-UHFFFAOYSA-N	406.511	4.736	50	20	HJGD	
Cc1sc([C@@H](C)NC(=O)NNc2cncc(Cl)n2)nc1-c1ccc(Cl)cc1	756214082	DUOIKAQURGJVKW-SECBINFHSA-N	423.329	4.603	50	20	HJGD	
Cc1nnc(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)n1[C@H]1CCC[C@H](C)C1	758168385	FWQCMMZCPLFJQC-LZWOXQAQSA-N	422.558	4.660	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)c1	759315020	NYUSTRFVFULGLF-UHFFFAOYSA-N	414.868	4.616	50	20	HJGD	
CCN(CCC1CC1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	760687283	UVNYKPNSQZIXJU-RGEXLXHISA-N	421.932	4.673	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc2ccccc2cc1OC(F)F	761996736	OEPCQFSDUHVRGP-UHFFFAOYSA-N	407.214	4.961	50	20	HJGD	
O=C(NCCOC1CCCCC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762639747	MGRBGIIWMKLMOY-UHFFFAOYSA-N	416.412	4.748	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@@H]1CCO[C@]2(CCOC2)C1	762973413	XFKAMIZRACUYPB-IUODEOHRSA-N	402.385	4.804	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1cc(-c2ccccc2)nc2cc(F)ccc12	766669015	CXWORFSYWUGPSN-UHFFFAOYSA-N	415.453	4.803	50	20	HJGD	
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](Br)C(C)(C)C)n2)cc1	768034176	OPSAFSCLPHYTJK-AWEZNQCLSA-N	410.337	4.517	50	20	HJGD	
CC(C)c1nccn1Cc1cccc(NC(=O)NNc2c(F)cccc2Cl)c1	771113556	RNGRDEQAQGCDFL-UHFFFAOYSA-N	401.873	4.996	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)C(=O)c3cc(F)cc(F)c3)cs2)cc1	772176703	OUYAIGSCEVZWLP-RIYZIHGNSA-N	412.417	4.799	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccccc3C)[nH]n2)c1C	775556560	RCMRVCKEGOVSAP-MLHZQLSASA-N	417.513	4.557	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cnn(-c2ccccc2)c1C(F)(F)F	775723800	VVXRCACLUCKTBR-UHFFFAOYSA-N	412.375	4.588	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])C1(c2cc(F)cc(C(F)(F)F)c2)CC1	780374929	SYZMAXSYSIXSHR-UHFFFAOYSA-N	417.746	4.581	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)C(=O)Nc1cccc(CSC2CCCCC2)c1	783343106	VIYUIMQYKZDXNK-UHFFFAOYSA-N	419.497	4.613	50	20	HJGD	
Cc1ccccc1CC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783462615	FQBJAYLWJFERQH-UHFFFAOYSA-N	415.405	4.700	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2cnc(-c3ccc(Cl)cc3)s2)cc1	789129997	ZBUNOBDBBYFNDW-YBEGLDIGSA-N	409.898	4.695	50	20	HJGD	
CSc1cccc(COC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1	797043135	MHEVHQHYYLMPNW-FVIRYLMMSA-N	410.539	4.656	50	20	HJGD	
Cc1cccc(C2(C(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)CC2)c1	804209095	LTFCKFHQMPUDGE-UHFFFAOYSA-N	412.415	4.646	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1sc(-c2cccc(Cl)c2)nc1C	805377566	DJBHCHXSCPRCAN-UHFFFAOYSA-N	402.863	4.745	50	20	HJGD	
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccc(OCCCCl)cc1	811463790	HIBMUNDOQORKSW-OAQYLSRUSA-N	416.949	4.614	50	20	HJGD	
COc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1C	817015719	OWQXKGZLUYMCPC-UHFFFAOYSA-N	422.325	4.807	50	20	HJGD	
CC(=O)c1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)nc1C	817016838	NFLFYNWLYJDEKB-UHFFFAOYSA-N	419.325	4.696	50	20	HJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cc(C#N)n(C)c3C)n2)c(C)c1	906012858	WJDJNEGYDZGXJF-QGMBQPNBSA-N	415.522	4.800	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2Br)c1C	914475742	OHJHNFZZTFCRKC-WOJGMQOQSA-N	400.320	4.501	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc3ccccc3c2)c(C)n1C[C@@H]1CCCO1	914482454	FASQINOOBCUPCZ-KXERKJKRSA-N	413.521	4.661	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NC(c2ccccc2)c2ccccc2)cc1	915888717	RBHUMOFDTYUHJM-UHFFFAOYSA-N	401.510	4.718	50	20	HJGD	
O=C(NN=C1CCN(Cc2ccc(Cl)cc2)CC1)c1cc2ccccc2cc1O	915935008	PWTHUFNYUAUOHU-UHFFFAOYSA-N	407.901	4.581	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1c(-c2ccccc2)nc2sccn12	915976849	QFYQZDCEVHSUCK-UHFFFAOYSA-N	410.502	4.909	50	20	HJGD	
C[C@H](Oc1cccc(Br)c1)C(=O)NN=Cc1c(Cl)cccc1Cl	916344877	PBZKDDSJYBYQRY-JTQLQIEISA-N	416.102	4.674	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1	916595443	JHOALIQGJAURAU-NDENLUEZSA-N	418.518	4.856	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)C3CCCCC3)cc2)cc1	934150580	PVOKTCLUDXGCGF-UHFFFAOYSA-N	400.544	4.666	50	20	HJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	1251807872	PRJUENUEPSNIOF-UHFFFAOYSA-N	423.860	4.925	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]3C)CCC2)cc1	1786070571	ISMUHEZUULTXKV-IIDMSEBBSA-N	421.379	4.588	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1	1789726819	PNSGHDJXPILVGN-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)s3)CCC2)cc1	1790487604	FWGMPDGGLPXYIX-HNNXBMFYSA-N	406.935	4.522	50	20	HJGD	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@](C)(Cl)CCl)CCC2)cc1	1791300474	SBEJGUKWUKQWMZ-QGZVFWFLSA-N	419.299	4.568	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)[nH]n1	1820862596	ZMWZWGZWCNJLBH-HHXXYDBFSA-N	416.953	4.613	50	20	HJGD	
Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1823890977	GZFXUDZQVWYCSN-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1	1830309904	MECOSBMRPVTTLW-FGZHOGPDSA-N	416.993	4.815	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2C)CC1	1830640623	YWUQQHDTQCFRST-LEWJYISDSA-N	419.009	4.944	50	20	HJGD	
COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)C(C)(C)C	7743880	UQQZSVNMFSSXBK-BJMVGYQFSA-N	401.098	4.742	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C(=O)NC1CC1	8199081	UBEFHGFXVZLTQS-XDHOZWIPSA-N	408.461	4.530	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2F)c(C)n1C[C@@H]1CCCO1	24020077	CELZYAXKNYRLNB-KGZWWPETSA-N	401.869	4.622	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cnc3ccc(Br)cn23)c(C)c1	210215449	RONHNVHKIUKVCF-OVCLIPMQSA-N	409.287	4.568	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)CCc2ccccc2)c1C	727343464	LXPLWQLCXDGCBE-SYVPYPDPSA-N	407.558	4.747	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nccn2CC(F)(F)F)c(C)n1CCC(C)C	727769695	IOEDWDPOVWPWDI-ZDLGFXPLSA-N	422.451	4.560	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNC(=O)Cc3cccc4ccccc34)c2)cc1	728463125	ZIIAZXKFOHYMDI-UHFFFAOYSA-N	421.456	4.507	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1	729404534	JUILVPMCGFXWGP-SAPNQHFASA-N	407.470	4.978	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NN=c1cc[nH]c2ccccc12	730288449	JVNQPTQPQOINKG-UHFFFAOYSA-N	419.488	4.575	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)/C(=C\c1ccccc1OC)c1ccccc1)c1ccccc1	732000544	JVAFRLMWCVHRAD-WBVCGYLZSA-N	414.505	4.577	50	20	HJGD	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NNc2cnnc3ccccc23)c1	735116435	LUOUWJCRSAKOPQ-UHFFFAOYSA-N	415.840	4.704	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cccnc1Nc1cccc(C(F)(F)F)c1	735692652	NOXBSSMGRFFQSG-UHFFFAOYSA-N	408.330	4.879	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccn1	743592169	IDBGYSZRBPYHBV-OAQYLSRUSA-N	403.486	4.626	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccc(I)cc2Cl)c(C)c1	743764831	RXYXQCWTLABCHY-UHFFFAOYSA-N	414.674	4.627	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc(C3SCCCS3)cc2)c(Cl)c1	743826244	FBAQMXVWODKDTL-UHFFFAOYSA-N	421.975	4.984	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	748005760	MUTXRKWRARAVLI-UHFFFAOYSA-N	419.466	4.520	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	748629895	QOWOEQURGYVKQY-UHFFFAOYSA-N	420.391	4.681	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3cccc([N+](=O)[O-])c3C)cc2)n1	748671001	VAUXCLOZKBKFSR-UHFFFAOYSA-N	414.512	4.717	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(F)(F)F	750895980	LGVFPGHUZKLKFW-LZNAANCOSA-N	418.415	4.811	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccc(COC2CCOCC2)cc1	752210485	APNWZGYXIZKEJD-HXUWFJFHSA-N	409.617	4.713	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1oc2ccccc2c1COC	753184492	ITMKDINAAFYLLE-UHFFFAOYSA-N	403.276	4.661	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cn(-c2cccc(Cl)c2Cl)nn1	754683504	CLBCGMHWEDODAF-NTEUORMPSA-N	412.280	4.737	50	20	HJGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)NNc1ccc(OCC(F)(F)F)cc1	768090681	PTUAYWVAXDDGKQ-CQSZACIVSA-N	404.388	4.692	50	20	HJGD	
CCCN(CCC)C(=O)c1ccc(NC(=O)NNc2nc3ccccc3s2)cc1	769971047	NACCUUPPRVCBRV-UHFFFAOYSA-N	411.531	4.707	50	20	HJGD	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OC[C@@H](C)CBr	770416822	YNTRIGOHLCKJFG-VIFPVBQESA-N	406.198	4.857	50	20	HJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2ccccc2OC(F)(F)F)c1	779200771	IBFHDAQUXUAMEW-UHFFFAOYSA-N	403.198	4.721	50	20	HJGD	
O=S(=O)(Nc1nnc(-c2ccco2)o1)c1ccc(S(F)(F)(F)(F)F)cc1	780744974	RNNYBNVVXDSUGR-UHFFFAOYSA-N	417.337	4.788	50	20	HJGD	
CN([C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)S(=O)(=O)CCCCCl	780807575	VMCPKIKEIDLWDO-GOSISDBHSA-N	404.334	4.849	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	780951217	UFGSHSZOSUGLOS-UHFFFAOYSA-N	417.746	4.581	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Br)s2)s1	782752515	VZGILMWGNNACNR-UHFFFAOYSA-N	424.301	4.904	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	787493876	MGTUAOAIPNDGLL-OIQJVACTSA-N	414.305	4.738	50	20	HJGD	
CC1(C(=O)NNc2c(F)cccc2Cl)CCN(c2ccc(Cl)cc2C#N)CC1	804564821	OUSWAJDJIVQBAS-UHFFFAOYSA-N	421.303	4.754	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccc(F)n2)cc1C	804766698	NJZIPZZPHVSNHT-UHFFFAOYSA-N	415.472	4.506	50	20	HJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	805185400	HAPZTFWISXGRGL-SFHVURJKSA-N	424.504	4.933	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3	812768961	OLDPKRRNXNBCAP-UHFFFAOYSA-N	424.570	4.682	50	20	HJGD	
Cc1cccc2cc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)nc12	816840545	SXRPSIODNTYOOE-UHFFFAOYSA-N	424.766	4.881	50	20	HJGD	
Cn1c(CC(=O)NN=Cc2ccc(-c3cccc(Cl)c3)s2)nc2ccccc21	914691961	JGOFOXQEPASIDY-UHFFFAOYSA-N	408.914	4.648	50	20	HJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=Cc3cc(Cl)ccc3OC(F)F)sc2n1	915955960	NXABYZMEBLHFMU-UHFFFAOYSA-N	424.860	4.514	50	20	HJGD	
O=C(CC(F)(F)F)NN=Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	917550495	KSXPUOBPENRNTQ-UHFFFAOYSA-N	418.202	4.648	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2OCC(C)C)c1C	918666989	VHALFGKPQYTSHV-OLRBPVQESA-N	423.557	4.571	50	20	HJGD	
Cc1c(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)oc2c(C)cccc12	919679677	DDZZOGAHFXKPSQ-UHFFFAOYSA-N	414.461	4.557	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1nc(N)c2ccccc2n1	1324210716	QBLVBUUBQWDXBA-CXUHLZMHSA-N	420.398	4.540	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3cccnc3)cc2)CCC1	1788274815	KAKHEXRABUZWDP-HXUWFJFHSA-N	413.949	4.556	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCCc3ccncc3)CCC2)cc1	1790487568	CONQNBDYWBRSPX-FQEVSTJZSA-N	413.949	4.556	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	1824014975	HXCICRKPDXCOCZ-HZEGPAAWSA-N	423.041	4.697	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826366298	SUUWDVZRXYVSNU-VXKWHMMOSA-N	419.009	4.646	50	20	HJGD	
CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)S(C)(=O)=O)cc2[N+](=O)[O-])cc1	7714137	ZRZGAGUNGWJCDD-GZTJUZNOSA-N	400.456	4.594	50	20	HJGD	
COCCn1c(C)cc(/C=C(C#N)/C(O)=N/c2ncc(Cc3ccccc3)s2)c1C	24698269	NWQYGPVEQBQJQJ-DEDYPNTBSA-N	420.538	4.994	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1c[nH]c2ccccc12	254893671	BOYNKBCKRKIYST-UHFFFAOYSA-N	405.461	4.785	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=C2CCC(c3ccccc3)CC2)c1	728431919	DEOVHNUGKGYZKC-UHFFFAOYSA-N	401.304	4.901	50	20	HJGD	
CCCC[C@@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(OC)cc1	728596071	FXPUBXUAKSMLIR-QGZVFWFLSA-N	424.328	4.878	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C)c1ccccc1	732133291	VWDRAAXEPGZKKE-GCJKJVERSA-N	403.526	4.669	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1C	732944351	PMAPCHCJDYYEKA-GZTJUZNOSA-N	409.490	4.718	50	20	HJGD	
Cc1cc(Cl)cc2nc(SCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)oc12	735234645	PSOUSURCZAGDHJ-UHFFFAOYSA-N	424.913	4.772	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNC(=O)c1cccc2ccccc12	741462408	FXYFKAIHSMYHCS-UHFFFAOYSA-N	420.875	4.949	50	20	HJGD	
O=C(NNC(=S)Nc1ccccc1F)Nc1c(Cl)cc(Cl)cc1Cl	741870616	WHSSSKUPIOVNRV-UHFFFAOYSA-N	407.685	4.809	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(SC(F)F)cc1	741978326	DGGWHCABXVIVNC-UHFFFAOYSA-N	409.202	4.799	50	20	HJGD	
Cc1c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cnn1C(C)(C)C	742005771	HUWMRGCDWIOXDO-UHFFFAOYSA-N	420.138	4.773	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1ccccc1OC(F)F	743547736	FVXALCYDDJLDMO-SFHVURJKSA-N	413.424	4.537	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)Nc1ccc(-c2ccccc2)cc1	743827232	VCHOHCHRDFKOAL-OALUTQOASA-N	407.420	4.588	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(OC(F)(F)F)cc2)c1C	744332889	QTILALWNMBWEAH-AYCSXLNKSA-N	422.403	4.724	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1cccc([N+](=O)[O-])c1C	748674167	ZXXKYVJNMKSQGD-UHFFFAOYSA-N	407.426	4.851	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2SCc2csc(C)n2)c1	748911381	HNALLMUKARVIDI-UHFFFAOYSA-N	403.504	4.648	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc(NCc2ccccc2)nc2ccccc12	749257403	CYUQAEHCDNGLSY-UHFFFAOYSA-N	413.437	4.512	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(C3CC3)nc3ccc(F)cc23)cc1C(F)(F)F	751069909	FOFDUUZYLYVZAX-UHFFFAOYSA-N	414.362	4.899	50	20	HJGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	752979527	CCVQFYBVRDNSBY-UHFFFAOYSA-N	406.336	4.682	50	20	HJGD	
Cc1ccccc1C(NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccccc1C	761023065	DOLCVVPTFUQVPT-UHFFFAOYSA-N	412.493	4.518	50	20	HJGD	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)C1CCCCC1	767713389	JTKPEBIGNWZSBO-SDQBBNPISA-N	413.109	4.974	50	20	HJGD	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NNc2nc3ccccc3s2)C1	769949597	SKMSGQDBQMUPCH-HUUCEWRRSA-N	423.542	4.563	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)NNc3ccccc3C(F)(F)F)cc2)nn1	770037619	GMZGRWGTHBVETI-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)c(F)c1)c1ccc(Br)s1	771689631	TXXMZBOHYCJZTH-SSDOTTSWSA-N	422.117	4.659	50	20	HJGD	
CN(C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1Cc2ccccc2C1	772956934	ZYPRHKYIDGRGCD-UHFFFAOYSA-N	420.403	4.908	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1O	773153296	DWUJZIOGDJGWHH-ONNFQVAWSA-N	410.626	4.746	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12	773763250	OGRDRHKNMUVHPA-UHFFFAOYSA-N	413.355	4.687	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F	775602310	UTNHRAUBLIGWGR-UHFFFAOYSA-N	414.872	4.613	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCSCc2ccnc(Cl)c2)c1C	777447295	LIAYHOHYUIDMIB-XDHOZWIPSA-N	416.978	4.520	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1csc(-c2ccc(F)c(F)c2)n1	780342906	AZPJGNLPXHTTCR-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)c(F)c1)C(=O)NCc1cccc(Cl)c1	786056698	QOHBHVDKANSYQZ-NSIKDUERSA-N	412.770	4.644	50	20	HJGD	
COc1ccc([C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)c2ccccc2Cl)cc1	787383031	ZIJHJHOBCRKQAH-INTAXFPDSA-N	418.880	4.867	50	20	HJGD	
CCOc1cccc([N+](=O)[O-])c1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	791442137	CQAHQDLAEAZJMJ-UHFFFAOYSA-N	404.637	4.711	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccnc1OCc1ccccc1F	791733470	LYRXLLSATLUHQQ-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
CC(C)(C(=O)NNC(=O)Nc1ccc(Cl)cc1)c1csc(-c2cccs2)n1	802020163	KLQOUWFCPVTPBK-UHFFFAOYSA-N	420.947	4.656	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c(Cl)cc1F	808865595	XEEWWKGYFWGYOK-XUKORKDYSA-N	415.896	4.931	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@@H](c1c(Cl)cccc1Cl)C1CC1	812498160	JQTXJKWSJNQXFT-GOSISDBHSA-N	417.296	4.612	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3cccc(O)c3Cl)cc12	814695859	UGUSBVIVAIJYHX-UHFFFAOYSA-N	410.886	4.518	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(Cl)c(F)cc1Cl	814712491	ASYLQOMZIPYNND-UHFFFAOYSA-N	412.126	4.816	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1	849209215	IONCMDQCKUOLDO-OJNRTJSBSA-N	403.265	4.779	50	20	HJGD	
COC(=O)c1cc(NC(=O)NN(Cc2ccccc2)c2ccccc2)ccc1Cl	915698309	GBNUMSBZKALSMD-UHFFFAOYSA-N	409.873	4.870	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccco2)c2ccccn2)c(C)n1CC(C)C	916051918	OELCLPHAFORPBW-BKUYFWCQSA-N	402.498	4.889	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2cc(C)n(Cc3ccco3)c2C)cc1OC	916347843	PAPIEMBEHLBXHN-UHFFFAOYSA-N	423.513	4.698	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1	916599153	IEPZIMOACOSJOT-DHDCSXOGSA-N	404.249	4.725	50	20	HJGD	
COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCC[C@H]2CCSS2)cc1Cl	916939940	JFURBUNDTZLCIM-UONOGXRCSA-N	412.964	4.710	50	20	HJGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918270486	SBTKLWRQRXDWMR-PEBVRCNWSA-N	422.900	4.929	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](c2cccs2)N2CCCC2)c(C)n1CC(C)C	1251213475	YYRDLWZVRBDKHP-JFLYLQGUSA-N	424.614	4.683	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3cccs3)cc2)CCC1	1786949266	NCKZCISNILZMKU-GOSISDBHSA-N	404.963	4.832	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cc2sccc2[nH]1	1788584464	CLIXYWHBRICHGU-MRXNPFEDSA-N	405.882	4.512	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccs2)n[nH]1	1815990125	MGSZZHRYOYMNBB-DOTOQJQBSA-N	422.982	4.504	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(Cl)cc2Cl)c1C	4494366	BEPNAHSOGZFQPS-RQZCQDPDSA-N	407.297	4.709	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)c1nnc2n1CCCCC2	32752583	ZCYLOTMHVHQCOZ-CJLVFECKSA-N	420.520	4.980	50	20	HJGD	
COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	211889676	IRNJEKVWHGZSQA-SDQBBNPISA-N	407.253	4.565	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cccc(C)c3)c3ccccc3n2)cc1OC	215786524	CGVLHGLUIYXMPQ-UHFFFAOYSA-N	413.477	4.984	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1cc(C)n(-c2ccccc2)c1C	254404005	VHLOTWSLQVUVRC-UHFFFAOYSA-N	411.509	4.661	50	20	HJGD	
O=C(CCCc1ccc(Br)s1)NNc1ccccc1C(F)(F)F	302806459	OXOIAYQPBWBZSF-UHFFFAOYSA-N	407.255	4.995	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1C	729974090	RYKVPSUWQCHNBL-PINWHADMSA-N	419.569	4.701	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2occc2C(=O)O)cc1)C(=O)Nc1ccccc1Cl	730950217	AMCYZMWZHZKFDP-RVDMUPIBSA-N	422.824	4.756	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)cc1	737875856	UMKICRXQQCLOKY-LFIBNONCSA-N	404.388	4.881	50	20	HJGD	
O=C(CSc1ncc[nH]1)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	742454269	CAMHDMCLMFWKSO-UHFFFAOYSA-N	404.417	4.588	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cccc2ccccc12	743441705	MMZNBLXKOOLYMM-IBGZPJMESA-N	408.885	4.815	50	20	HJGD	
CSc1cccc([C@@H](NC(=O)NNc2cccc(C#N)c2)c2ccc(F)c(F)c2)c1	745903144	DKQZVKSRBYSEFL-OAQYLSRUSA-N	424.476	4.974	50	20	HJGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	746022700	PTUVOXDJWVHKKF-UHFFFAOYSA-N	412.342	4.693	50	20	HJGD	
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)NNc1cccc2c1CCCC2	748573599	DUKORICJRKYVAJ-UHFFFAOYSA-N	404.466	4.615	50	20	HJGD	
CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)/C(=C\C#N)c1ccc(F)cc1	750796498	QNNVDWRXLRRPKX-UCQKPKSFSA-N	421.497	4.623	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cc(C2CC2)nc2ccc(Cl)cc12	751393201	RIBWEDSDHMFLGY-UHFFFAOYSA-N	406.795	4.936	50	20	HJGD	
N#Cc1ccc(NNC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1Cl	753302646	NUPKGVYCLSTXOH-UHFFFAOYSA-N	401.253	4.596	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cnc1O	757578501	QSYMBSWKQDQQCP-RQZCQDPDSA-N	406.873	4.702	50	20	HJGD	
O=C(NCc1ccc2c(c1)COC2)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762669533	OXHAAFYUMNKPQX-UHFFFAOYSA-N	422.375	4.629	50	20	HJGD	
CC(=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)C1CCC1	764762000	JSEMRCVUPQGTLC-UHFFFAOYSA-N	406.602	4.523	50	20	HJGD	
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NNc1ccc(Cl)cc1Cl	769947027	AXMJRDMXISQQSW-UHFFFAOYSA-N	407.301	4.686	50	20	HJGD	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NNc2ncccc2Cl)cc1	769994449	UICLMQGXECDCHQ-UHFFFAOYSA-N	409.833	4.556	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1	770814862	CWVZDCWAXQZRHH-UHFFFAOYSA-N	413.836	4.662	50	20	HJGD	
Cc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c(Br)n1	771501179	JEZXNILMIUYSOM-UHFFFAOYSA-N	411.303	4.896	50	20	HJGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	773146364	XBCHESYMBLIUFG-ZENNRRHLSA-N	421.346	4.575	50	20	HJGD	
CN(C)c1cccc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	773162060	SLZAESBTWQRQMY-UHFFFAOYSA-N	423.407	4.665	50	20	HJGD	
O=C(NCCC[C@H]1CCCCO1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773509482	BWMOHWVVJQHXRL-CYBMUJFWSA-N	416.412	4.748	50	20	HJGD	
O=C(NN=Cc1ccc(Br)c2cccnc12)c1ccc(Cl)cc1F	777888398	MGMSCTCCAWEQOW-UHFFFAOYSA-N	406.642	4.554	50	20	HJGD	
O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)NNc1ccc(Cl)c(F)c1	780992738	CKNPJHJIMDUJDP-OAQYLSRUSA-N	414.864	4.625	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C(=O)Nc1cccc(-c2cccs2)c1	785166937	QZQDICCAYDGEMQ-UHFFFAOYSA-N	423.391	4.655	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc2ccccc2n1CC(F)(F)F	787454559	CWPRHXZOIXNTMJ-UHFFFAOYSA-N	412.209	4.723	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccco2)Cc2cccs2)c1C	790091484	VFHHMZHIYUMTNE-DEDYPNTBSA-N	423.538	4.542	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccc(CCC(=O)N2CCCC2)cc1	792267604	IXRHQZRAEWFVGM-UHFFFAOYSA-N	421.328	4.697	50	20	HJGD	
C=C(CBr)COC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12	795491640	AALZDJGEXPDGLL-UHFFFAOYSA-N	405.248	4.714	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cccc(F)c1Sc1ccccc1	803439583	ICMZMUNVRSVHCG-UHFFFAOYSA-N	405.454	4.575	50	20	HJGD	
COc1ccc([C@H](CNC(=O)NCCSSC)c2c[nH]c3ccccc23)cc1	806290606	MXSANVICZPGJAD-SFHVURJKSA-N	415.584	4.619	50	20	HJGD	
Cc1noc([C@H]2CCCCN2C(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)n1	807756074	KOQPGYATWUGWJJ-DMMSUNFISA-N	409.534	4.503	50	20	HJGD	
CC[C@H]1CCC1=NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12	807954898	HWWBOZIAYZYSNU-HNNXBMFYSA-N	403.482	4.825	50	20	HJGD	
O=C(NN=Cc1ncc(-c2ccccc2)s1)c1ccc(Br)cc1Cl	811641394	ATUDSJFXDQUWFZ-UHFFFAOYSA-N	420.719	4.990	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	817920444	LQNSPNKQDACCLQ-UNOMPAQXSA-N	410.476	4.970	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4nc(O)[nH]c4c3)c2C)c1	857748727	LFNQXQDANROBNH-WQRHYEAKSA-N	411.465	4.530	50	20	HJGD	
CC(=O)Nc1cccc(OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1	904759152	IZFLBBQGRQUULA-UNOMPAQXSA-N	417.440	4.704	50	20	HJGD	
CCOc1ccc(N(CC)C(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	914517896	BXWXJOPXOSKKIR-VNSJDZJPSA-N	421.541	4.643	50	20	HJGD	
Cc1nc(C2(NC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)CCCCCC2)no1	915154670	KBHGZVADPFPLOI-FYJGNVAPSA-N	423.561	4.725	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)cc(Cl)c1O	915853658	JZARTTRIWSFOOD-XGICHPGQSA-N	401.875	4.836	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc3ccccc3n2)cc(C)c1OCc1ccccn1	915931220	ADRJMJOETICRRO-UHFFFAOYSA-N	410.477	4.590	50	20	HJGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)Cc1nn2c(C3CCCCC3)nnc2s1	916327476	BNNZPCDVNKGFOH-MRXNPFEDSA-N	416.595	4.651	50	20	HJGD	
CC(C)C(=O)/C(C#N)=C/c1c(-c2ccc(Br)s2)nc2ccccn12	917621856	ZCYRKZGSSQWXQM-FMIVXFBMSA-N	400.301	4.957	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nnc(-c3ccsc3)s2)c(C)n1CC(C)C	918180885	UENYGVUOJQDEES-IUXPMGMMSA-N	411.556	4.887	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(COC(C)C)c2)c1C	920475887	FDMZMKUCDKLHTL-YPKZHZFPSA-N	409.530	4.783	50	20	HJGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1ccc(-c2cccs2)s1	1337622572	FXMHSSZFEQEEKO-UHFFFAOYSA-N	419.535	4.574	50	20	HJGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1sc(-c2ccc(C)cc2)nc1C	727651389	WNEMAHBRUTUQDR-UHFFFAOYSA-N	417.494	4.631	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	727801262	NBUVXPKHADYWOT-MNOVXSKESA-N	400.649	4.802	50	20	HJGD	
Cc1ccc(Cl)c(NC(=S)NNC(=O)c2cc(-c3ccccc3)on2)c1Cl	728447182	XFQISQCCMLFUDF-UHFFFAOYSA-N	421.309	4.588	50	20	HJGD	
CC(C)(C)c1noc(-c2ccccc2C(=O)NNc2ccccc2C(F)(F)F)n1	729166110	LWSAMWUNYIXRKA-UHFFFAOYSA-N	404.392	4.810	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cnccc3C)c2C)cc1	729404631	IOAKIFFLKOGACU-MOSHPQCFSA-N	400.482	4.742	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC2(Sc3ccccc3)CC2)c1C	731594565	KEPDVFZOPBXQKG-PKIWBCANSA-N	423.582	4.660	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2cnn(C(C)C)c2)c(C)n1-c1ccccc1F	732748903	QQXGUDSSRLXWEH-LELXDKESSA-N	419.504	4.795	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cccnc1SC(F)F	733807830	MSPHQNSWFFCQAQ-UHFFFAOYSA-N	408.655	4.569	50	20	HJGD	
Cc1ccc(-c2ncc(C=NNC(=O)CSc3nc4ccccc4s3)s2)cc1	734297913	ZBVLLIQOOHUQQA-UHFFFAOYSA-N	424.576	4.971	50	20	HJGD	
Cn1nc(-c2ccccc2)c(C=NNC(=O)Cc2cccc3ccccc23)c1Cl	734746568	NDXWKJKVCQXDGN-UHFFFAOYSA-N	402.885	4.587	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@H](Cc1ccccc1)c1sccc1C)c1ccccc1	737066033	HCAKJMYZXKHLLY-LEWJYISDSA-N	421.566	4.865	50	20	HJGD	
CSCCCCC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1	739474116	JPIBYVDSZHXVFW-UHFFFAOYSA-N	420.600	4.619	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)c1cccc2ccccc12	741465549	PJYCQUYPMXIXFT-UHFFFAOYSA-N	402.885	4.810	50	20	HJGD	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1	743298768	DAXAEOVIMMVLTB-UHFFFAOYSA-N	407.436	4.580	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc2cc(Br)ccc2c1	746289979	FEBHGPHVPQXKGK-UHFFFAOYSA-N	416.222	4.835	50	20	HJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)c2c1	746853492	VEQYSFUIWBFLQA-UHFFFAOYSA-N	419.872	4.881	50	20	HJGD	
COc1ccc(NNC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)cc1	746883512	UBQWLMGDQYAIRA-UHFFFAOYSA-N	404.253	4.946	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(F)cc1Br)c1ccccc1C(F)(F)F	748074936	PUCDDOMUBOMBPF-SECBINFHSA-N	405.189	4.854	50	20	HJGD	
Cc1ccc2nc(COc3cccc(C(=O)NNc4ccc(Cl)c(F)c4)c3)cn2c1	748877051	MMDCPAMVHDOCTF-UHFFFAOYSA-N	424.863	4.771	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)CCc1ccccc1	749747761	OKUOPKVXUASTRZ-UHFFFAOYSA-N	401.297	4.570	50	20	HJGD	
Cc1cccc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)n1	750029107	ANGZUTJSGANEMX-MOSHPQCFSA-N	402.473	4.502	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Br)c(C)c2)cnn1-c1ccccc1	752633852	CTCUJDOLQKSNHI-UHFFFAOYSA-N	413.319	4.653	50	20	HJGD	
O=C(CCCc1csc2ccccc12)NNC(=O)c1c(Cl)cccc1Cl	755280667	DYHWSDFKCHCYBS-UHFFFAOYSA-N	407.322	4.992	50	20	HJGD	
CCCCc1cc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	756210212	UTMKTIYPJTWZMX-UHFFFAOYSA-N	412.384	4.987	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1	760137384	RYOALHNVMZKNBF-UHFFFAOYSA-N	403.866	4.858	50	20	HJGD	
N#C/C(=C\c1cnc(C2CCC2)s1)c1nc(O)c2cc(Br)ccc2n1	760210122	KHFUYIKNOLPMAQ-IZZDOVSWSA-N	413.300	4.886	50	20	HJGD	
N#CCCn1ncc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1-c1ccccc1	760530524	MHELMDMQIXLGBB-UHFFFAOYSA-N	400.269	4.527	50	20	HJGD	
CN1C(=O)c2ccc(C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)cc2C1=O	762522408	YQOOEPBMZIDAGW-UHFFFAOYSA-N	406.332	4.822	50	20	HJGD	
Cc1ccccc1OCCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762642132	YZNVHIMBPIKZGJ-UHFFFAOYSA-N	424.391	4.786	50	20	HJGD	
CC[C@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CCOCC1	762663021	BCUFZXLRJUZDJH-AWEZNQCLSA-N	416.412	4.604	50	20	HJGD	
N#C/C(=C\c1ncccc1C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl	765500342	ILQIMKYIIHHBIX-JXMROGBWSA-N	407.200	4.746	50	20	HJGD	
O=C(CCSc1ccnc2cc(Cl)ccc12)NNc1ncnc2ccsc12	766671078	AAQQUDRTWGCKSO-UHFFFAOYSA-N	415.931	4.518	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(F)cc1Br)c1ccc(Br)cc1	767084082	KGNZDPRJBZFVJL-VIFPVBQESA-N	416.088	4.598	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Br)c1)c1ccccc1	768268264	GAXULDKCJBNQAE-KMHUVPDISA-N	421.241	4.835	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12	772844813	OCPCABWMIHLDMJ-UHFFFAOYSA-N	401.445	4.711	50	20	HJGD	
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NNc1ccc(C(F)(F)F)cn1	775264784	NANUHAKONCHODO-LZCJLJQNSA-N	409.717	4.929	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc(C(=O)N2CCCCCC2)cc1	775533757	XDKAGRGVASXFDC-UHFFFAOYSA-N	420.435	4.870	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1	778393081	YGSLYTHAEWGPRX-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(C)C)cc2Cl)c1C	781761347	IXEPPAWFSLTVJZ-WQRHYEAKSA-N	415.921	4.738	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)C(=O)c1cccc(C(F)(F)F)c1	782368533	HOKFJRWZTPGRAA-NTUHNPAUSA-N	412.289	4.996	50	20	HJGD	
O=C(Nc1ccc(Oc2ccccn2)cc1)C(=O)NN(c1ccccc1)c1ccccc1	782821453	NEFQFHCTRMOOKW-UHFFFAOYSA-N	424.460	4.682	50	20	HJGD	
O=C(O)C1(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCCCCC1	787516592	ZMOSLEKIHXYUMJ-UHFFFAOYSA-N	423.425	4.800	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccc2[nH]ccc2c1	789671894	MCAKCGYFXHGTST-VZIOXZNFSA-N	416.525	4.725	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)ccc1Cl	790180985	VWJQCTVCVDFLSU-UHFFFAOYSA-N	409.873	4.666	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2cccc(Br)c2)c1C(C)C	790806669	KECYOGMERIMTPR-UHFFFAOYSA-N	413.319	4.824	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1c(F)cccc1Br	794480864	HMKBPSLHLSKAQO-ZDUSSCGKSA-N	415.262	4.659	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1	804174024	KIAFOMQSDMSQDY-PDGQHHTCSA-N	418.415	4.592	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cc(Cl)ccc1F	804207551	SLFDTPKTVCTOMM-UHFFFAOYSA-N	410.758	4.712	50	20	HJGD	
N#Cc1cc(Oc2ccc(NC(=O)NNc3ncc(Cl)cc3Cl)cc2)ccn1	810281231	FKGDFGXJNBIPED-UHFFFAOYSA-N	415.240	4.596	50	20	HJGD	
C#C[C@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc(F)cc1	813041874	POBPXLFCOCTHQE-HNNXBMFYSA-N	422.350	4.912	50	20	HJGD	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NNc1cccc(Cl)n1	817009161	XMTHBUWELULUMF-UHFFFAOYSA-N	424.719	4.530	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)n2ccccc2=Nc2ccccc2)c1C	832907986	DJIHBWFCIWZLLC-BZIHFPCYSA-N	414.509	4.594	50	20	HJGD	
N#C/C(=C/c1ccc(OC[C@H]2CCCO2)cc1)C(=O)Nc1ccccc1C(F)(F)F	834722307	QBTMJZLEFJFDBB-XSVZSIDJSA-N	416.399	4.809	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](c2ccco2)N(C)C)c(C)n1C1CCCCC1	858537469	NOCGTSAKJXDEJL-VOSMRYOYSA-N	408.546	4.529	50	20	HJGD	
CCOC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	916068906	BRWWEKRDLYJAKG-XDHOZWIPSA-N	408.502	4.875	50	20	HJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-]	916129649	QSPZTESKBDDOMD-SXGWCWSVSA-N	419.466	4.782	50	20	HJGD	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1OC	916307231	YKTFEEGTJYOIEJ-UHFFFAOYSA-N	424.884	4.700	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2ccc(OC)cc2)c1C	1317948873	GUMOXNKIGQQLKB-SXZORUHJSA-N	408.498	4.635	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1cc(-c2ccccc2)ccc1Cl	1319527606	UKIGGAOAIPRILA-UHFFFAOYSA-N	402.679	4.921	50	20	HJGD	
CC(C)[C@]1(CO)CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	1324540748	RPSCQEBEXFUFCV-GOEBONIOSA-N	410.889	4.778	50	20	HJGD	
Cc1ccc(SCC(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)cc1	1788584287	ARXZJCFXNYIXKR-IBGZPJMESA-N	420.937	4.756	50	20	HJGD	
CC1(C(=O)Nc2ccc(C3(NC(=O)CCBr)CCC3)cc2)CCCCC1	1791532208	YMRUWOBSFJJCCN-UHFFFAOYSA-N	421.379	4.876	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CC[C@H](CC)CC3)CC2)C1	1806162652	ROABVTUWAJCYFK-UFYCRDLUSA-N	411.030	4.842	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(C(C)(C)C)c3)C2)CC1	1807445587	KMPWNVCIPRAJNU-SFHVURJKSA-N	422.013	4.565	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](Cl)CCC)CC1	1824139092	FHYULKIHUVELLG-RTWAWAEBSA-N	409.014	4.782	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	2268009	ROJQMBQNWRHQQS-DTQAZKPQSA-N	403.394	4.799	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1nnc2n1CCCCC2	7158945	UCIGNJAONIMOKQ-JLHYYAGUSA-N	409.833	4.890	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC#N)c(OC)c3)n2)cc1	63278904	MLVVDVIKBQLFKX-BOPFTXTBSA-N	403.463	4.794	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1SC(F)(F)F	726534839	MPNMQBXAWSZCBJ-UHFFFAOYSA-N	424.231	4.687	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2sc(-c3ccccc3)nc2C)cc1	727413001	KYIKYCQMTXUGCZ-CPNJWEJPSA-N	403.507	4.741	50	20	HJGD	
O=C(CCc1ccccc1Br)NNc1ccnc2cc(Cl)ccc12	729515379	YAVIILPBSAFJRI-UHFFFAOYSA-N	404.695	4.727	50	20	HJGD	
CC(C)(C(=O)NNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1ccccc1	731174406	BEHMSIUEVYBTCC-CYVLTUHYSA-N	408.498	4.553	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ncc(-c3ccc(Br)cc3)[nH]2)c1	732713958	OQULXBCEKYGXHC-XNTDXEJSSA-N	407.271	4.693	50	20	HJGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1c(F)cc(F)cc1Br	742707659	CABUFLBIVHTNHK-JTQLQIEISA-N	401.226	4.578	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)CC(F)F)c1C	744379124	STAPHBANLRXNCG-QREGZJMFSA-N	415.484	4.513	50	20	HJGD	
COc1cccc([C@H](NC(=O)NNc2cccc(C#N)c2)c2ccccc2Cl)c1	745849058	QDFANEUHQJRPAX-NRFANRHFSA-N	406.873	4.636	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c1C	745982569	XVBQOHXXKTVIGM-STZFKDTASA-N	421.541	4.945	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)/C(=C\c1ccco1)NC(=O)c1ccccc1	748017747	PIZFLVDQLPNLBW-LDADJPATSA-N	416.264	4.501	50	20	HJGD	
CSCc1c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)oc2ccccc12	748703619	MXTOULNYNQRSGG-UHFFFAOYSA-N	410.417	4.994	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2cc(Cl)ccc2Cl)c1	753701062	QYIOCQNFHHTWLS-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3cc(C(F)(F)F)ccc3F)cs2)cc1	754147305	IRUJRSLROXJMNR-UHFFFAOYSA-N	409.408	4.962	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)c1	754741972	OLCRGTNJQRXVGX-BKUYFWCQSA-N	412.493	4.907	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1	756376148	CPEMFJLPDBBHPR-UHFFFAOYSA-N	420.419	4.509	50	20	HJGD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)o1	762456187	GAWQVCLNRDHYCA-UHFFFAOYSA-N	421.365	4.915	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	767946537	FRVACYOTHTYDIO-SNVBAGLBSA-N	406.202	4.504	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccccc1COC1CCOCC1	768010014	ZMAYPGJEJZPGLS-UHFFFAOYSA-N	413.276	4.585	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)c1	769737409	BQEGZKYNYBGHLL-UHFFFAOYSA-N	424.595	4.717	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCc2c(ncn2CCc2ccccc2)C1	770532316	IHIJWSOHZHJNLR-IBGZPJMESA-N	415.628	4.725	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNc2c(F)cccc2Cl)c(C)c1	770812228	JHGLPFLIZLSEMV-LBPRGKRZSA-N	409.914	4.760	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1sc(-c2ccccc2C)nc1C	773743719	IKEBFXBMRKEUIF-UHFFFAOYSA-N	424.595	4.929	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1coc(-c2ccccc2Cl)n1	776490033	DIPKUNWQBSEFFE-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3ccc4ccccc4n3)s2)cc1	777464149	GGKBXAWCGALLNO-UHFFFAOYSA-N	404.495	4.822	50	20	HJGD	
N#Cc1ccc(O)c(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777634978	AIZNRZNJYOCQDU-UHFFFAOYSA-N	400.350	4.722	50	20	HJGD	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NNc1cc(Cl)ccc1Cl	778392937	WFBAEHPQHRFKPR-QMMMGPOBSA-N	409.239	4.616	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H]1CC=C(c2ccc(F)cc2)CC1	778674802	ATLIQSDFVDXXSB-FQEVSTJZSA-N	403.457	4.559	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@@H]1C[C@@H]1c1cccc(Br)c1	779201729	VHYFMKJCTAEIMS-CHWSQXEVSA-N	415.209	4.595	50	20	HJGD	
Cc1cc(Br)c2oc(C(=O)NNc3ccc(OC(F)F)cc3)cc2c1	782754384	GEWOFZXNDNJPSF-UHFFFAOYSA-N	411.202	4.862	50	20	HJGD	
COCCN(C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CCCC1	784078202	QSPADCIGDDSBRV-UHFFFAOYSA-N	416.412	4.700	50	20	HJGD	
CC(C)(C)OC(=O)NCc1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1	787133319	BJYPONSDYFJNTC-UHFFFAOYSA-N	410.301	4.775	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1	787145223	PCQMXPNUOCDGKZ-KDMTZKAISA-N	418.478	4.893	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	787152189	WBNRVXXSZRIDMQ-WIZMWCRPSA-N	417.421	4.648	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])/C(=C/c1ccc(F)cc1)c1cccs1	791149218	BDBWYIOOHJTBOL-SDNWHVSQSA-N	401.394	4.618	50	20	HJGD	
CCCN(N=Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C(=O)OC(C)(C)C	794997718	CZLCHJTZZYOHRV-UHFFFAOYSA-N	420.510	4.948	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCC(F)F	809146798	HKFVFPRCXGMKEL-NTUHNPAUSA-N	422.815	4.547	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813497651	IKIOPWUTAPVCLM-UHFFFAOYSA-N	412.126	4.816	50	20	HJGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc(-c2ccccc2Br)s1	914693268	RWMSTUDAYDLTPX-UHFFFAOYSA-N	414.328	4.914	50	20	HJGD	
Cc1cc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c(C)s1	914733076	RUXRTPBNFLLAOW-DBCIAFMCSA-N	411.571	4.747	50	20	HJGD	
C[C@H](Oc1ccc(F)cc1Br)C(=O)NNc1ccccc1C(F)(F)F	915292141	OIQKSSNTTIEOMC-VIFPVBQESA-N	421.188	4.518	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	918679389	UQLJBTDCOBBNJV-GJZGRUSLSA-N	401.498	4.716	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(OCC(C)C)c2)c1C	919891666	ILIUZJKRPCGZCA-OLRBPVQESA-N	423.557	4.571	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccsc2)n1)C(=O)Nc1nc(-c2ccncc2)cs1	920063640	BVOCZRNQSPLHFR-AUWJEWJLSA-N	421.532	4.936	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(-c3ccc4ccccc4n3)o2)c1C	1257663031	WFZCBLKJDKOXFG-SDLDRHLBSA-N	413.481	4.975	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(Oc2cccc(F)c2)nc1	1320710858	IQVXSMKRRRAEHD-UHFFFAOYSA-N	408.220	4.863	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cccc(OCc3cccc(C(=O)O)c3)c2)c1	1322566136	RTOQKXIBITWLDU-SRZZPIQSSA-N	413.429	4.762	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@@H](c1cccc2ccccc12)C(F)(F)F	1324160152	UMAUAHUNCXIHMK-KRWDZBQOSA-N	421.806	4.741	50	20	HJGD	
CCOC(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	1339966023	ZDUAFFJHBRAIET-LDADJPATSA-N	420.490	4.825	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4[nH]3)CCC2)cc1	1786444756	KEBMZLNQMCVJCL-GOSISDBHSA-N	424.932	4.718	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCc1ccccc1	7166935	NXINSMZZHQYWHK-LDADJPATSA-N	405.479	4.666	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1	16181101	HIAJCZIPEKIJEB-UHFFFAOYSA-N	409.486	4.866	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(Oc2ccc(F)cc2)cc1	16181336	HTIWTDOFPFNMCQ-UHFFFAOYSA-N	415.877	4.903	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OC(F)F	16388592	UYIVCUBITHAIOW-FMIVXFBMSA-N	412.314	4.861	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1C	24690742	RXSJDYVBVIYXAY-QANDDYDISA-N	415.921	4.828	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(SC)cc2)c1C	27165635	VSLXRRYDYUTVMM-XXXRSFMGSA-N	411.571	4.819	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2c(F)cccc2Cl)c1C	215320860	VOKYZMFGLDPNPP-KDVQLTRESA-N	404.869	4.755	50	20	HJGD	
Cc1ccc(Cl)c(NC(=S)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1Cl	728443461	VLHHUMXCHOITPM-UHFFFAOYSA-N	412.386	4.836	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1	733925590	YHBVFMAZOBGKSL-UHFFFAOYSA-N	413.305	4.907	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc(OCCC(C)C)cc2)c(SC)cc1OC	741162142	VSODCVZKMMUBEO-UHFFFAOYSA-N	416.543	4.615	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNC(=O)c2cccc3ccccc23)c1	741572562	ASGPBLWNVSFGKR-UHFFFAOYSA-N	423.900	4.553	50	20	HJGD	
N#Cc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1C(F)(F)F	743261427	GUURLKCYBATJDR-UHFFFAOYSA-N	402.825	4.549	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(F)cc2F)nnn1-c1ccc(C(C)(C)C)cc1	743336588	KDJGJNDVLZBHNG-UHFFFAOYSA-N	413.472	4.552	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)ccc1SC	746340583	LROBSXJYNKODKU-LCYFTJDESA-N	410.886	4.559	50	20	HJGD	
O=C(CCCCCNC(=O)NC1CCCCC1)NNc1ccc(Cl)cc1Cl	748018429	VWKCVNWYRHLXRO-UHFFFAOYSA-N	415.365	4.629	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1	748116759	PAJHTLHPMRXIAF-UHFFFAOYSA-N	407.857	4.556	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(CN(CC)CC)cc1	753169665	POFRJZYXRKHLMV-UHFFFAOYSA-N	404.352	4.610	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccccc1Oc1cccnc1	753184741	LYHSLAGKKKJFBM-UHFFFAOYSA-N	412.287	4.956	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)c2ccc(Br)cc2n1	753299019	KSKTUKIDQWMISR-UHFFFAOYSA-N	415.678	4.588	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(Oc2ccncc2)c(Cl)c1	754469832	NURPEXUHLFQKSG-UHFFFAOYSA-N	417.856	4.741	50	20	HJGD	
N#C/C(=C\c1ccc(OCCBr)c(Cl)c1)C(=O)Nc1ccccc1F	763104972	AUYSIUFQSXHVSH-UKTHLTGXSA-N	423.669	4.798	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1	766753236	XWHPIJLFYBPOCI-LBPRGKRZSA-N	422.106	4.896	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	768291620	AJUJRIOPKJBEEH-ONGXEEELSA-N	413.303	4.678	50	20	HJGD	
CC(C)n1cnnc1-c1ccccc1NC(=O)NNc1ccc(Cl)cc1Cl	770061978	OCPIJHXVVWURCD-UHFFFAOYSA-N	405.289	4.981	50	20	HJGD	
C[C@H](Cc1ccccc1)n1cccc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	773493867	AQMBZHYWCCBPDZ-MRXNPFEDSA-N	417.431	4.990	50	20	HJGD	
Cc1nc(C2CC2)nc(S)c1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	773689907	JFGCPJGYCFHIQB-UHFFFAOYSA-N	403.722	4.668	50	20	HJGD	
COC[C@@H](C)n1ccc(NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n1	782699519	LQEWPXWSNIINRZ-YGRLFVJLSA-N	422.860	4.954	50	20	HJGD	
O=C(Nc1csc2ccccc12)C(=O)NN(Cc1ccccc1)c1ccccc1	782826003	ZXQDRRSIMHUMSQ-UHFFFAOYSA-N	401.491	4.578	50	20	HJGD	
C#CCCCCCC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783466351	WVMBKQUJORXJKZ-UHFFFAOYSA-N	405.410	4.733	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1	785348442	JEANGCZALGLFCY-UKTHLTGXSA-N	400.221	4.694	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N(CCO)Cc1ccc(Br)s1	792022266	VOPYUQKRTLVCCZ-GFCCVEGCSA-N	424.451	4.546	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1	792869413	CCNKSQCHUUAJFF-RTWAWAEBSA-N	423.695	4.750	50	20	HJGD	
CSSCCNC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1	793079632	TVFGXUGYSANBOZ-AWEZNQCLSA-N	406.598	4.606	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	794704213	YEESQYQYEAVRHS-MDWZMJQESA-N	401.228	4.812	50	20	HJGD	
COc1cc(NNC(=O)C(C)(C)c2csc(-c3cccs3)n2)ccc1Cl	800558682	DKIOCVSQWMDRLG-UHFFFAOYSA-N	407.948	4.955	50	20	HJGD	
Cc1nc2c(C(=O)NNC(=O)Nc3c(Cl)cc(Cl)cc3Cl)cccc2o1	802070126	KPMIXNXMVCMZPX-UHFFFAOYSA-N	413.648	4.563	50	20	HJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1Br)c1nnc2n1CCCCC2	811626415	HXXKLVKRYPJRGB-WQLSENKSSA-N	411.225	4.850	50	20	HJGD	
CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)c1sc2nc(C)cc(C)c2c1N	814777868	YUQMBOABJXKYCH-SJLPKXTDSA-N	422.554	4.564	50	20	HJGD	
CC(C)(C(=O)NNc1cc(F)c(F)c(F)c1)c1csc(-c2ccccc2F)n1	815856892	GETGBSQZFSUMBJ-UHFFFAOYSA-N	409.408	4.787	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	817010737	OZPJADIRTDGWAD-UHFFFAOYSA-N	423.835	4.712	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](c2ccccc2)C2CC2)c1C	817088671	GRYVCTBAWJQYPS-SSZZIIDFSA-N	405.542	4.529	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)n2ccccc2=NC2CCCCC2)c1C	832913206	XVSOHYSBNTVHES-HYSSLTDNSA-N	420.557	4.595	50	20	HJGD	
CC(C)Cc1ccc(C(=O)CCC(=O)NNC(=S)Nc2cccc(Cl)c2)cc1	915593782	KVLZZFQPFABNBW-UHFFFAOYSA-N	417.962	4.519	50	20	HJGD	
CC(=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C12CC3CC(CC(C3)C1)C2	916284939	IEFPQJRKEBXBLO-UHFFFAOYSA-N	415.752	4.946	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1	916605667	IPRBMWSJPKFFIR-HJHGFDQJSA-N	420.509	4.995	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cc(Cl)c3c(c2)OCCO3)c(C)n1CC(F)(F)F	917096226	JPKKHKIMKNITLI-NSIKDUERSA-N	424.806	4.882	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)[C@@H](C#N)c2nccn2Cc2ccccc2)c1C	1122706572	KQSWFUIBCNVJQO-XUKJQLKWSA-N	411.509	4.543	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccoc1C(F)(F)F	1788724901	UIWBJWXDLNPGHT-CQSZACIVSA-N	418.774	4.581	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1	1817827135	SBGQYWYAQUTJPA-TZMCWYRMSA-N	420.922	4.541	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)CC1	1830003157	CMWMNKHIMSPYAE-FCHUYYIVSA-N	419.009	4.944	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)S(=O)(=O)c1ccc(Cl)cc1	15188868	DWKHXPYUDLYIIZ-LFIBNONCSA-N	414.826	4.847	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccs3)c(OC)c2)c1	23739883	VWPZPONOQQOWGW-GZTJUZNOSA-N	419.458	4.774	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cs2)cc1	141371661	FCVZCCCCMLXDHT-JIHKLPAASA-N	419.506	4.515	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccccc1	209996080	UEAPWCDHZYWLBO-STZFKDTASA-N	405.461	4.539	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c(C)c1	211865419	JWSCGVHCLIXPDL-STZFKDTASA-N	409.493	4.935	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)c2ccccc2)c1C	302897026	PGJNFKWTPBNOAY-ULJHMMPZSA-N	413.521	4.892	50	20	HJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	726428399	LKVSDCMCLOOUBF-OKSBFYSISA-N	400.438	4.970	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@@H]2CCCOC2)c(C)n1-c1ccc(Cl)cc1	730789824	BDTMZRHMADKTOT-HRVJUDJTSA-N	411.933	4.540	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(CN(C)C(C)C)c2)c1C	731885291	MNCLWJJQEMEVCL-ZVHZXABRSA-N	406.574	4.579	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2F)c1)C(=O)N(CC(F)(F)F)C1CC1	732714825	GEKBZCFDVWVEML-LICLKQGHSA-N	418.390	4.865	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(OC(F)F)c2)c1C	734118140	TZKQWZRGYBCXMR-UPAIAECRSA-N	417.456	4.768	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)ccc1OCC(F)(F)F	734304925	AYWVJCMDRRQHOC-VCHYOVAHSA-N	418.415	4.558	50	20	HJGD	
Cc1cccc(COc2cccc(C(=O)NNc3ncccc3C(F)(F)F)c2)c1	740096853	GEBJOKDKXOHELG-UHFFFAOYSA-N	401.388	4.745	50	20	HJGD	
CCN1CCC[C@H]1Cn1c(C)cc(C=NNC(=O)c2cccc3ccccc23)c1C	741462535	IUAQBINGPNZSEA-QFIPXVFZSA-N	402.542	4.506	50	20	HJGD	
C[C@@H](C#N)Oc1ccc(C=NNC(=O)Nc2ccc(Br)cc2Cl)cc1	741769628	CINAJJAIMOHFEQ-NSHDSACASA-N	421.682	4.549	50	20	HJGD	
O=C(CCCSc1ccc(Br)cc1)NNc1ccc(Cl)nc1	743816066	MXADOSPDNRBTFN-UHFFFAOYSA-N	400.729	4.513	50	20	HJGD	
CC(=NNC(=O)COc1ccccc1-c1ccccc1)c1c(C)nn(C(C)C)c1C	746487026	OTMOXZJAXITZMS-UHFFFAOYSA-N	404.514	4.667	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1	746879176	KXNDGURZAWBVLW-GUOCTKQSSA-N	412.436	4.787	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(OC(F)F)cc2)c1	748637296	MBKHHKDAGCUTKF-UHFFFAOYSA-N	411.836	4.683	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1	749223238	KWWJUVNNZOWFLX-SAPNQHFASA-N	417.490	4.945	50	20	HJGD	
Cc1cc(-c2noc(CCC(=O)NNc3cc(Cl)ccc3Cl)n2)ccc1F	752813373	SUPPRUTYDYLEIF-UHFFFAOYSA-N	409.248	4.567	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(C(F)(F)F)nc1Cl	753175513	KTUJKPGLLJFJFC-UHFFFAOYSA-N	422.632	4.836	50	20	HJGD	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NNc1ccc(C#N)c(Cl)c1	753306841	UZMRGSWPVLQVTF-UHFFFAOYSA-N	406.873	4.716	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(F)(F)F)ccc2Cl)cc1	753683569	VMHKECZDPLUHDS-NTEUORMPSA-N	421.806	4.606	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)Nc1cccc(C(F)F)c1	756300070	PCRGVGKXRANERQ-UHFFFAOYSA-N	411.408	4.523	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)c(Br)c1O	761013818	UJQGWTBVZBVUJP-DHZHZOJOSA-N	424.197	4.555	50	20	HJGD	
CC(=O)c1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)nc1C	765344876	CIQSTTTUSZBSJV-FYJGNVAPSA-N	418.541	4.740	50	20	HJGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1	768443826	CKPUJMLZTBCUSC-UHFFFAOYSA-N	409.770	4.739	50	20	HJGD	
C[C@H](CBr)COC(=O)COc1ccc(C2SCCCS2)cc1	770332897	NBDPDVZZUQVAAC-GFCCVEGCSA-N	405.379	4.508	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	771693205	YCOOMGJXGUGFTP-UHFFFAOYSA-N	403.866	4.858	50	20	HJGD	
N#Cc1cccc(Oc2ccc(NC(=O)NNc3cccc(C(F)(F)F)c3)cn2)c1	775508141	RZKVGXVJAYKFFL-UHFFFAOYSA-N	413.359	4.913	50	20	HJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3nc4ccccc4cc3C)c(C)c2c1	777481863	LNOADPRYXAIBJC-UHFFFAOYSA-N	401.466	4.876	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2C2CCOCC2)c(C)n1C1CCCCC1	777533516	LWZKBKVONWANJL-FVIVVMBBSA-N	409.574	4.935	50	20	HJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3c(Cl)cnn3C)n2)cc1C	780148389	QVEHQGVRKPMXBG-AUWJEWJLSA-N	411.918	4.668	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)cc1	780808195	AROXLWLANIQSHW-UHFFFAOYSA-N	409.408	4.852	50	20	HJGD	
Cc1ccccc1-c1ccc(CN(C(C)C)S(=O)(=O)CBr)s1	782431860	QJHVHISAPRUPSN-UHFFFAOYSA-N	402.379	4.616	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC([C@H]2CCCO2)CC1	784041818	ZPGISYXJPKTNCC-OAHLLOKOSA-N	421.453	4.924	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)NNc3ccc(C(C)(C)C)cc3)cc2)nc1	784805908	VFNJYTKIDRNBDT-UHFFFAOYSA-N	418.497	4.562	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1	785337527	OZSUQBWYJWOLEF-NVNXTCNLSA-N	410.342	4.788	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(OC)cc1OCCOC	788431595	VFNCBZSDNAVHOR-UHFFFAOYSA-N	414.527	4.671	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1cccc(CN2CCCCC2=O)c1	792287397	JGUNVQDVBHNWSO-UHFFFAOYSA-N	407.301	4.655	50	20	HJGD	
CCc1nn(C)c(CC)c1CC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	792524954	KCURLQHKQGVZGZ-QGZVFWFLSA-N	419.900	4.945	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC(C)(C)S(=O)(=O)CC2)cc1	792880245	BUXBZFAYKKQNCB-UHFFFAOYSA-N	411.684	4.608	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(-c3ccccc3Cl)o2)cc1	797304095	WQTCDGWUUIEFSA-VKAVYKQESA-N	406.869	4.874	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ncccc1Oc1ccccc1	799705978	SXIUKBOEQNFLAC-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2cccnc2)cc1	808895583	PJUPMSBRRCGBEM-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1	811627426	AYVXLOPHVAIEOD-ODYDIQAQSA-N	420.252	4.695	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@H](C)c1ccccc1C(F)(F)F	857546044	PCNRGDMJDPAHKP-NSHDSACASA-N	400.832	4.909	50	20	HJGD	
Cc1noc(C)c1C=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	915919266	OMGXXADDCVZRNN-UHFFFAOYSA-N	404.857	4.924	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2cc3ccccc3nc2N2CCCCC2)c2ccccc2n1	915923265	IRIBZABAQTZNBU-UHFFFAOYSA-N	423.520	4.846	50	20	HJGD	
CCOC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1	916068905	BRWWEKRDLYJAKG-UNOMPAQXSA-N	408.502	4.875	50	20	HJGD	
CC(C)(C)C[C@H](NC(=O)NNC(=O)c1ccc(Br)s1)c1ccccc1	916518139	JJGSHASDIDOMBT-ZDUSSCGKSA-N	424.364	4.632	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)cc1C	916546037	CACXDMBRVXQFTD-UHFFFAOYSA-N	424.504	4.551	50	20	HJGD	
COC(=O)Nc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	917706975	FIHSLKGSIOWRSD-XDHOZWIPSA-N	408.502	4.875	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	921261700	NRLGCSRLAFWZQC-XGICHPGQSA-N	415.833	4.559	50	20	HJGD	
C[C@H](Sc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1786287472	BRCNWGCSJGBAKM-KSSFIOAISA-N	420.937	4.836	50	20	HJGD	
Cc1cc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)cc1F	1788588124	GACNZSSEHRVXBV-QGZVFWFLSA-N	410.823	4.555	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2C)n[nH]1	1814575097	CLJPHUZYVJUDEV-FUHWJXTLSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1	1815322434	NBTYEJGMJRSCKJ-NLEPDTAZSA-N	420.985	4.636	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820906703	LLIWKTIHVCXUFT-KBXJCHCYSA-N	406.958	4.556	50	20	HJGD	
C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1)c1cccs1	1822703239	HUQZZAQBQLSCIK-ZFWWWQNUSA-N	422.982	4.532	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)c3nc4ccccc4[nH]3)cs2)cc1	7001015	PMLVFQOLAFOADM-RVDMUPIBSA-N	415.478	4.777	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cc3c(s2)-c2ccccc2OC3)c(C)c1	10742770	XPEFKJRICBXEON-UHFFFAOYSA-N	409.536	4.556	50	20	HJGD	
Cc1cccc(NNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1	195630900	ZPPWOIRZLUXZKN-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(N3CCCCCC3)nc2)c1C	207883747	QUESIAFYWOSHQA-HZHRSRAPSA-N	419.573	4.514	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OC(=O)c1cccs1	253415673	IQUZKTAGZPLLDM-LUFZQEEISA-N	424.522	4.578	50	20	HJGD	
Cc1ccc([C@@H](CNC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)N2CCCC2)o1	725744468	OKTKEYPEJHLVQL-CXSSSTRGSA-N	422.573	4.523	50	20	HJGD	
CC(C)COC[C@@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)c1ccco1	726260823	OOWZOPRJEVMULY-GFCCVEGCSA-N	421.712	4.675	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1C	731056419	SBRBGKAOVBUBDA-DLBLZJNESA-N	423.532	4.533	50	20	HJGD	
CC(C)c1nccn1Cc1cccc(NS(=O)(=O)c2ccc(CCCl)cc2)c1	731147404	LGVRUGSQYKCLEX-UHFFFAOYSA-N	417.962	4.637	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)c1ccccc1	732452084	ZBHQPVCJEZNVPO-FGZHOGPDSA-N	421.928	4.954	50	20	HJGD	
COC(=O)c1cc(OC(=O)CCCSc2ccc(Cl)cc2)ccc1[N+](=O)[O-]	732654147	NPMMXAKNHLIUCG-UHFFFAOYSA-N	409.847	4.513	50	20	HJGD	
Cn1c(/C(C#N)=C/c2ncc(-c3ccc(Br)cc3)[nH]2)nc2ccccc21	732713635	JAJBJVOBNNGXHI-GXDHUFHOSA-N	404.271	4.790	50	20	HJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	732975744	VRCRPXIUMJJFOH-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
C[C@@H](CC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C1CCCCC1	734257801	QHQQLQOUQVJRHI-ZDUSSCGKSA-N	407.440	4.607	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1	737465088	CNVNNXPNCOKAQW-OAHLLOKOSA-N	401.491	4.528	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3ncccc3C(F)(F)F)cs2)cc1	740100459	NWIMCKXROZHEOM-UHFFFAOYSA-N	422.432	4.770	50	20	HJGD	
COc1ccc(Cl)c(NC(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)c1	741863944	OARPCZLTHOMLPT-UHFFFAOYSA-N	419.721	4.679	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNc1c(F)cc(F)cc1Br	741978650	MPSQOLLMAYSRGO-UHFFFAOYSA-N	407.667	4.616	50	20	HJGD	
O=C(CCC(F)(F)F)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	742516709	HWYDBBNZRMIMKZ-UHFFFAOYSA-N	421.806	4.659	50	20	HJGD	
CCCCCn1nc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	748766171	WLUPFXRVBXVHSG-KOMLCTQHSA-N	411.550	4.553	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)s1	748877024	LKXKANDFRAMLIE-UHFFFAOYSA-N	404.854	4.942	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CCCC2)c1C	749137072	CXKRVUXQYJJSJO-PACYTGELSA-N	411.468	4.553	50	20	HJGD	
O=S(=O)(Nc1cccc(COCc2ccco2)c1)c1ccc(CCCCl)cc1	751272073	ZGVIDEBIOZBKBU-UHFFFAOYSA-N	419.930	4.969	50	20	HJGD	
CC(C)c1c(NC(=O)NNc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1	753160322	SWUNXSXTYVCXDJ-UHFFFAOYSA-N	404.396	4.558	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(Oc2cccnc2)cc1	753174859	GJNUVJQLUJTABQ-UHFFFAOYSA-N	412.287	4.956	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1	755756006	KQCZYQISYAUPBT-GOTSBHOMSA-N	412.493	4.689	50	20	HJGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	758419357	VPNOVNZWUBMRKI-GYZOOYGHSA-N	420.490	4.823	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2OC(F)(F)F)cnn1-c1ccc(C)cc1	760515037	ALTAOMMUXXURRY-UHFFFAOYSA-N	418.419	4.789	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c(C)n1CC(C)C	760831251	BYIDWMWKZLFABK-WCEBZYJUSA-N	417.513	4.595	50	20	HJGD	
CC(C)(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)n1cc([N+](=O)[O-])cn1	762529685	ZFRPYGHQTWAUGN-UHFFFAOYSA-N	400.329	4.823	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(F)cc([N+](=O)[O-])c1Br	763614222	ARYAVKFHYCIENH-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
CC(C)(c1ccccc1)c1nnc(NC(=O)NNc2nc3ccccc3s2)s1	770025564	DVQVLORKNRYFBF-UHFFFAOYSA-N	410.528	4.622	50	20	HJGD	
CN1CCC2(CCN(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)CC2)C1=O	770652543	JYLGEHIPEPORRQ-UHFFFAOYSA-N	413.412	4.820	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(Br)c(F)c2)cc1	771682452	UCODAHOBSAVQRS-UHFFFAOYSA-N	424.270	4.692	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c(Br)cc1O	773153572	IEJMFIQMBBJWPP-ONNFQVAWSA-N	410.626	4.746	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c(OCc2cccnc2)c1	773173589	YHQXGSBMOQXHBC-CNHKJKLMSA-N	406.388	4.737	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNc2nc3ccccc3cc2C)c(C)c1	785158714	QOOAMIDEPIASLO-MRXNPFEDSA-N	422.554	4.824	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1	792633683	MAZOCHVOXNSWJJ-CPNJWEJPSA-N	402.903	4.672	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1-n1cncn1)C(=O)Nc1ccc(Cl)cc1Cl	794931960	SFXZNVFFTGIPHK-XGICHPGQSA-N	418.671	4.773	50	20	HJGD	
N#C/C(=C/c1ccc2c(c1)NC(=O)CO2)c1nc2cc(C(F)(F)F)ccc2s1	794936473	FFJNVKFDHVVOCY-WZUFQYTHSA-N	401.369	4.710	50	20	HJGD	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)C(=O)NCC(C)C	797330387	HRRIRTSPGQLYJN-NTUHNPAUSA-N	410.827	4.532	50	20	HJGD	
O=S(=O)(NC[C@@H](CO)CC1CCCC1)c1cccc(S(F)(F)(F)(F)F)c1	798473075	ANRIFRMFZFSRHV-ZDUSSCGKSA-N	423.469	4.811	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2)c([N+](=O)[O-])cc1OCc1ccccc1	806557104	MJLKCEKOQLQKDA-GIJQJNRQSA-N	404.378	4.565	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-]	811634409	NUEPZKCCQNZHDP-UHFFFAOYSA-N	416.261	4.673	50	20	HJGD	
Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NNc1c(C)cccc1C(C)C	813048257	PYAWYLKNQAMYFJ-UHFFFAOYSA-N	402.498	4.571	50	20	HJGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	814692524	KJYDOTIPIMLSNY-JTQLQIEISA-N	409.704	4.912	50	20	HJGD	
CCC(C)(C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	852999001	XQRNFKURXGKLGB-HJHGFDQJSA-N	413.562	4.754	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc2ccccc12	915903077	WFAVEJPNQYSFFU-GFCCVEGCSA-N	402.281	4.852	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(-c2ccccc2)n1	916140997	UITDWJFJMIKUGX-SFQUDFHCSA-N	401.857	4.663	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCO2)C(=O)c1cc2ccccc2o1	917519692	RKFAQNKZFUMGHT-VGOFMYFVSA-N	410.223	4.756	50	20	HJGD	
CCOC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	918662535	FVBFUCAGSUFJRU-UYRXBGFRSA-N	411.933	4.682	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	918679388	UQLJBTDCOBBNJV-CABCVRRESA-N	401.498	4.716	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3nnc(C(F)F)s3)c2C)c1	920229375	QDKNEJIATPIQJX-DHDCSXOGSA-N	413.453	4.737	50	20	HJGD	
CCCCC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](Cl)COC)CCC2)cc1	1791314398	QCFJLUAWUYAJKJ-LPHOPBHVSA-N	408.970	4.591	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796812198	ZDNJZUMMWNRKKY-SFNKJDCFSA-N	423.400	4.909	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/Sc1ccc(C)cc1	1798386712	SURSTJPHNJOIFY-YIKIPTBTSA-N	421.006	4.647	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)CCC)[C@H]1c1cccnc1	1803696073	WTFGHFQSXSVAFG-FYZZASKESA-N	422.013	4.711	50	20	HJGD	
CC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCCCCl)[C@H]1c1cccnc1	1808110051	VERHQFBZSUDRRL-JTHBVZDNSA-N	422.013	4.857	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)ccc2F)n[nH]1	1821101363	BKARZEXQNYPGPA-MAUKXSAKSA-N	420.916	4.571	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)cc2Cl)n[nH]1	1823186810	ONCGTJWNLXPRNM-YOEHRIQHSA-N	423.344	4.695	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1	1832389751	HMEWZLOSCNHVLN-NCUFTRPVSA-N	409.014	4.594	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1OC	5070126	RXVCZFWLUCWSDD-XSFVSMFZSA-N	414.461	4.828	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2oc3ccccc3c2COC(C)C)c1	15427925	CDBHZCJSIHXWEK-UHFFFAOYSA-N	411.527	4.606	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(SC(F)(F)F)cc1	16055565	CNKHBNSENXVXGY-UHFFFAOYSA-N	405.854	4.583	50	20	HJGD	
O=C1O[C@@H](C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)Cc2ccccc21	97089024	XRWLPCZSGPUTHS-CXAGYDPISA-N	415.820	4.626	50	20	HJGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN=Cc1cccc(OCCCC#N)c1	726736267	HIJNHJSHNKCQEI-QGZVFWFLSA-N	413.905	4.557	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ncc(-c3ccccc3)s2)cc1C(F)(F)F	726876479	BYDUMHVAXLTIJX-UHFFFAOYSA-N	403.389	4.849	50	20	HJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=S)Nc3ccc(Cl)nc3)cc2C1	727067229	XRTAHUFCOZIQSY-GFCCVEGCSA-N	423.007	4.579	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc2c(OC(F)F)cccc2[nH]1	727171911	QGNDSPBAMIJIIE-UHFFFAOYSA-N	418.469	4.524	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2c2cccnc12)c1c(Cl)cccc1Cl	727792292	ONACZJIGIWBYMT-UHFFFAOYSA-N	410.260	4.770	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNC(=O)c1c(Cl)cccc1Cl	727793297	ATWPSJLLZCWQPF-UHFFFAOYSA-N	422.337	4.777	50	20	HJGD	
CC(C)N1CCCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	727935157	PGEMTAHUQHCNNT-HNNXBMFYSA-N	409.905	4.854	50	20	HJGD	
N#C/C(=C/c1nccn1CC(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2)cc1	728696464	RVQGYHUXAQEQCX-QINSGFPZSA-N	412.371	4.783	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(OC(F)F)c(Cl)c1)c1cccc2ccccc12	741497420	ZHGXNVUZPKXDJG-UHFFFAOYSA-N	421.856	4.726	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F	743296524	CHYBWJDHMXQKBO-SECBINFHSA-N	421.297	4.879	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2F)c(C)n1Cc1ccccc1	748213909	LSWQKJDXKFQZEC-UHFFFAOYSA-N	416.294	4.812	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2Br)o1)NNc1ccccc1Cl	748307115	SQWUIIPODFIIKH-UHFFFAOYSA-N	420.694	4.833	50	20	HJGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	755362655	QYOFETWWCYTMDM-UHFFFAOYSA-N	403.442	4.506	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1ccc(Oc2ccccc2Cl)cc1	755570660	HOHNXISMDUMMEF-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)cc1	755763406	QJWKGTUHCJTIFX-XMMPIXPASA-N	420.472	4.962	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1CCC(F)(F)F	758050136	NVIGSAKCKGCWSR-UHFFFAOYSA-N	421.297	4.865	50	20	HJGD	
CCC(=O)c1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1	760561921	KLIJXZACZHLTIY-UHFFFAOYSA-N	415.209	4.818	50	20	HJGD	
CN(CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CC(F)(F)F	762974647	ICBNOZWBGXVSEP-UHFFFAOYSA-N	401.323	4.960	50	20	HJGD	
CN(C)[C@]1(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCSC1	762978674	ORZSNZHWTFKXHK-AWEZNQCLSA-N	405.458	4.903	50	20	HJGD	
COc1cc(SC#N)ccc1OS(=O)(=O)c1ccc(-c2csc(C)n2)s1	765715722	MCEZUIBKVWEYSS-UHFFFAOYSA-N	424.550	4.530	50	20	HJGD	
O=C(NN=C1CC(C(F)F)C1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	766011246	XMWWKXZSFSWILC-UHFFFAOYSA-N	419.431	4.761	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F	766593597	JJSJXFAZAGKOPV-NEPJUHHUSA-N	401.860	4.680	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1cccc(CSc2ccccn2)c1	769994732	VBJRRWDWHBPSSN-UHFFFAOYSA-N	404.417	4.940	50	20	HJGD	
O=C(NC[C@@H]1CCCCS1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773491175	WPWRPFSOFAAXKB-NSHDSACASA-N	404.426	4.684	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2c(-c3ccccc3)oc(C)c2C)cc1	781898742	LCTJSBMABLRQBW-UHFFFAOYSA-N	409.511	4.594	50	20	HJGD	
COc1ccccc1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782974702	YNFNZYASRJYNLU-UHFFFAOYSA-N	403.394	4.831	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(NC(=O)OC)c(F)c2)c1C	783561630	VZWFRRYYHVZPCL-GZTJUZNOSA-N	412.465	4.768	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	784884224	ONRDAFSKBJDDNR-UHFFFAOYSA-N	413.343	4.873	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)/C(C#N)=C/c2ccccc2)cs1	785352196	UOTYASRPNKFVQH-GZTJUZNOSA-N	421.453	4.617	50	20	HJGD	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)/C(C#N)=C/c3ccc(O)cc3)CC2)cc1	786993121	XDIHKWYJNNZXOU-XQNSMLJCSA-N	416.521	4.619	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cnc(-c3ccc(C)cc3)s2)cc1	787181646	BGMNUDBOFZSGHW-BKAYVGFPSA-N	403.507	4.912	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@@H](C)Sc3ccccc32)c1C	791012720	XTDOETUPVONPDG-LCJWNIEWSA-N	409.555	4.576	50	20	HJGD	
O=C(NNc1cnccn1)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1	793850157	FBYCUUUDBUNPML-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
Cc1nc(C(C)C)oc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	794352009	DIEVLXBZQWSYBQ-UHFFFAOYSA-N	407.095	4.933	50	20	HJGD	
COc1ccccc1Nc1ccccc1C(=O)NNC(=S)Nc1cccc(C)c1C	800688649	CMRRGBOKWLGYKU-UHFFFAOYSA-N	420.538	4.687	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3nccnc3C3CCC3)oc2c1	805459935	CVGXNBZNOWXLDL-UHFFFAOYSA-N	414.465	4.923	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c(Cl)cc1F	808865594	XEEWWKGYFWGYOK-JIARHERNSA-N	415.896	4.931	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc(Br)c1O	809147190	YHFXERLSBPCYIR-LZYBPNLTSA-N	400.272	4.960	50	20	HJGD	
CC(C)c1csc(CNC(=O)NNc2ccc(Br)cc2Cl)n1	812169490	LEUNCIMYYSNEBY-UHFFFAOYSA-N	403.733	4.509	50	20	HJGD	
COc1cc(NNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)ccc1Cl	812558990	QNBGYBCPHYUZSN-UHFFFAOYSA-N	411.767	4.779	50	20	HJGD	
CC[C@H](C#N)Oc1cc(CNC(=O)NNc2c(C)cccc2C(C)C)ccc1OC	813069219	DHPPUFVXSJSPJB-GOSISDBHSA-N	410.518	4.634	50	20	HJGD	
CC(C)(C(=O)NNc1cccc(Cl)n1)c1csc(-c2c(F)cccc2F)n1	817010976	AAXSQLPJDRVFRH-UHFFFAOYSA-N	408.861	4.558	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)n2ccccc2=Nc2ccccc2)c1C	832907992	DJIHBWFCIWZLLC-VUIXSYTISA-N	414.509	4.594	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1	857830947	KPDFJTPXNGFVGV-QFIPXVFZSA-N	421.928	4.961	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	864800823	DDBHNMJQKVHCMA-RILMWAFASA-N	412.445	4.956	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNc1ccc(Cl)cc1	865986480	BXFHDUQKHJFNIX-UHFFFAOYSA-N	409.704	4.957	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCc1ccco1	915843329	WMMYOALJGZTPIG-GDNBJRDFSA-N	423.812	4.857	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3F)c2C)cc1	915984205	RFIHDDJKSPZHDR-LFIBNONCSA-N	422.435	4.712	50	20	HJGD	
CCCCc1ccc(C(=O)CCC(=O)NNC(=S)Nc2cccc(Cl)c2)cc1	918679879	PABJLYWKVLWUKG-UHFFFAOYSA-N	417.962	4.663	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(Cl)nc1	918712326	KXIHGDXAKDVKAM-UHFFFAOYSA-N	410.808	4.641	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3csc(C(C)C)n3)cc12	1251189210	ZIRWEKGYAFLMJO-UHFFFAOYSA-N	409.540	4.739	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1cn[nH]c1-c1ccc(Cl)cc1	1317708302	LYQSAEJLRWXREC-UHFFFAOYSA-N	421.913	4.546	50	20	HJGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)Nc1nc(-c2ccccc2Cl)cs1	1317726005	FXPLOSGWXTYEOA-JYRVWZFOSA-N	411.870	4.723	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1Oc1ccccc1	1322307345	FDRULTYDZGNVFL-OAHLLOKOSA-N	409.873	4.838	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cncc(Br)c3)c3ccccc3n2)o1	1323071403	PJQIMRWWRQVNRO-UHFFFAOYSA-N	423.270	4.718	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1oc1ccccc13)C2	1800073394	XRBYEYAFNRTTJM-UIVXKWKOSA-N	424.928	4.855	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CC(C)C)cc1	1800644393	LPQBOYGKSXGXDG-PLACYPQZSA-N	404.982	4.544	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2c(Cl)cccc2Cl)c1C	4494375	QURKFORZGLBFST-MHWRWJLKSA-N	407.297	4.709	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)c(C)cc2C)c1C	5365086	VEPZQANAEKYHNY-AZHVYHFMSA-N	422.525	4.571	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccncc1	7907139	GJHNGAAPYXKYOU-HMMYKYKNSA-N	405.461	4.788	50	20	HJGD	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2	8517160	IBUQWNOGJUGXFH-ZHZULCJRSA-N	412.445	4.582	50	20	HJGD	
N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	16439779	RTQXSTLFBRVWQG-FOWTUZBSSA-N	401.378	4.638	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(-c2ccncc2)n1	214013840	RZCMKOUTJZWISS-XDJHFCHBSA-N	421.460	4.820	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)oc(=O)n3C)c(C)n1C1CCCCC1	728186702	ZEWHXYJTONZERF-LDADJPATSA-N	418.497	4.601	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Cc1cccc2ccccc12)c1csc2ccccc12	730068616	OMSOSDXLLARSHF-OAHLLOKOSA-N	403.507	4.689	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCC(OC(C)C)CC3)c2C)c1	730509176	PMPKZVFQXGRJAZ-PXLXIMEGSA-N	405.542	4.726	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	732112409	XWNDDDXHFLRQAX-HOTGVXAUSA-N	417.494	4.539	50	20	HJGD	
O=C(NNc1nccc2sccc12)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1	734248924	BQCXPDUVTRIKGA-FQEVSTJZSA-N	413.506	4.747	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	734668616	GBGLSPVBQIONMI-FQEVSTJZSA-N	401.388	4.528	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1Cl	735519261	RRVDTUIGUVSVIU-JIEKGTPASA-N	410.345	4.601	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1C	743297052	LWIMAJBPRJMDOV-JKSUJKDBSA-N	408.354	4.732	50	20	HJGD	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNc5oc(C(C)C)nc5C#N)(C4)C2)C3)cc1	746521896	HEZHFRYMKVGPLI-LYBIEXDWSA-N	418.541	4.959	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2csc(Cc3ccccc3F)n2)cc1C(F)(F)F	746893936	IKLRYPRSEZWOFI-UHFFFAOYSA-N	420.391	4.520	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c(C)n1C[C@H]1CCCO1	747198069	SSNXQCOIRNHKPQ-YTQNPIACSA-N	422.554	4.647	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(OC(F)F)c2)c1C	747919422	AEVXUFJLFQUOKU-HNIBHBHRSA-N	418.440	4.564	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccccc1Oc1cccnc1	748074272	VYKSHNDDHBXEPV-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
CN(C(=O)c1ccco1)c1ccccc1C(=O)NNc1cc(Cl)ccc1Cl	748512997	YBZHLZAEJCODBM-UHFFFAOYSA-N	404.253	4.620	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1	748561698	YVCYXMPRXGXOPQ-UHFFFAOYSA-N	410.232	4.765	50	20	HJGD	
Cc1noc(C)c1CSc1ncccc1C(=O)NNc1cccc2c1CCCC2	748573575	CSXULNSAGGIMFZ-UHFFFAOYSA-N	408.527	4.614	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1OCC	748732782	LRDLSVZSQPATPS-UHFFFAOYSA-N	407.854	4.583	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cc(F)c(F)c(F)c3)c3c(C)noc3n2)cc1	748811867	JTLWRJUAGJYXEY-UHFFFAOYSA-N	412.371	4.681	50	20	HJGD	
Cc1ccc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)c(Br)c1	753695325	OZZMFOSMPHMPDU-UHFFFAOYSA-N	414.328	4.574	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1ccc(Oc2cccc(Cl)c2)cc1	756270065	LJMKQIXODDXEHV-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
CN(c1ccccc1)c1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cn1	761591391	YYIOZNOEANCUDP-UHFFFAOYSA-N	402.376	4.505	50	20	HJGD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NNc2c(Cl)cccc2Cl)cc1	763625375	XDJYALUEHHCABB-LBPRGKRZSA-N	412.342	4.505	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	768715557	OFXVNGIBTNCOKY-UHFFFAOYSA-N	424.247	4.681	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCOC3(CCC3)C2)c1C	768939077	WEFSZAZEMSYGTK-ZPWPBLDLSA-N	403.526	4.527	50	20	HJGD	
CCC(=O)c1cccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1	771788176	XXZVRVFFYOJLRJ-XSFVSMFZSA-N	423.476	4.602	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)ccc1NC(=O)OC(C)(C)C	772470605	OYLRVUGPYZJKSM-UHFFFAOYSA-N	410.396	4.513	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1cnc2ccccc2n1	774778551	ILPOUIXGBQAMFG-UHFFFAOYSA-N	414.252	4.657	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(C)ccc2SC2CCCC2)c([N+](=O)[O-])c1	776712115	ZXVCSOCBRHTVAK-UHFFFAOYSA-N	401.488	4.703	50	20	HJGD	
O=C1Cc2cc(NS(=O)(=O)c3cccc(S(F)(F)(F)(F)F)c3)ccc2N1	777631110	ZFCRLXBMIAFGAQ-UHFFFAOYSA-N	414.377	4.639	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(-c2ccc(C#N)cc2)n1	777870378	RXMSPWOPFLCPSM-DHDCSXOGSA-N	422.275	4.811	50	20	HJGD	
CCN(CC)C[C@@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777984409	UNXZFVFNEBLORS-ZDUSSCGKSA-N	422.485	4.696	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCO[C@H](c2ccco2)C1	777998103	CCRMUGXJIURWEZ-AWEZNQCLSA-N	419.393	4.699	50	20	HJGD	
CC1(C)C[C@@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C(C)(C)O1	782984717	SCGWGMQDGWPGPF-GFCCVEGCSA-N	409.442	4.968	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C(=O)Nc1cccc(Cl)c1Cl	784881703	VJZKVNPFWKUWFS-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
O=C(COC(=O)CCCC[C@@H]1CCSS1)Nc1ccccc1C(F)(F)F	786595120	GYIVPBOJUQOYDO-GFCCVEGCSA-N	407.479	4.901	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OC)cc1	787153042	ABQXDSQPGVOJPH-IYVNWDGISA-N	405.281	4.795	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Cl)c(OC)c3)s2)cc1	790178116	VKNWHBYIFDBQJV-UHFFFAOYSA-N	403.891	4.546	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1	791064917	XLHCSQQKQWWDQC-UHFFFAOYSA-N	402.813	4.552	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2occc2C(=O)O)cc1)C(=O)c1ccc2ncccc2c1	794964904	KOUIYPDHQZNSTK-UNOMPAQXSA-N	424.412	4.895	50	20	HJGD	
O=C(NNC(=O)c1cc(C2CC2)cnc1Cl)Nc1ccc(-c2ccccc2)cc1	798126834	HYVFJBAPPASYTQ-UHFFFAOYSA-N	406.873	4.746	50	20	HJGD	
CC1(C)CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1[C@@H]1CCCO1	809854498	WLTGDEVEURJRMS-UONOGXRCSA-N	421.453	4.922	50	20	HJGD	
COc1ccc([C@@H](O)C2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)cc1	812626322	OOQMUROIKQLCQT-PZJWPPBQSA-N	409.617	4.681	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2cnc(-c3ccccc3Cl)s2)cc1C	812721070	JPGOATYHRJVXRI-UHFFFAOYSA-N	415.902	4.706	50	20	HJGD	
COc1ccc(NNC(=O)Cc2csc(-c3cccc(C)c3)n2)c(C(F)(F)F)c1	816701729	ICWCILCWNCIHLY-UHFFFAOYSA-N	421.444	4.832	50	20	HJGD	
CNC(=O)c1ccc(/C=C(/C#N)C(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1	912776465	DJRBORIBNZDXCQ-PGMHBOJBSA-N	419.484	4.995	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1OCc1ccc(C(=O)OC)o1	915841788	FZDAUIFHLSFLSQ-WJDWOHSUSA-N	411.454	4.566	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1OC	916131063	AFKRRUXUNQUGCI-ZSOIEALJSA-N	412.243	4.580	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OCc1ccc(F)cc1	917213355	GNGDYDCYLRFWPR-UHFFFAOYSA-N	415.808	4.723	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1116096310	IPJYJQIVCIBYPO-AWEZNQCLSA-N	410.547	4.593	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCc2ccc(C(F)(F)F)cn2)c1C	1263972355	BBASPXGIHNLMRR-LDADJPATSA-N	418.463	4.585	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830348136	ZNHNYOUUSVEDED-LKWCPCFXSA-N	409.014	4.760	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	16408518	BEOHBRNCKXZQSX-MDWZMJQESA-N	419.250	4.541	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccccn3)c(C)c2)cc1	32831804	PRSZBSXOLYRUCW-XSFVSMFZSA-N	413.477	4.832	50	20	HJGD	
O=C(CCCc1ccccc1)NN=Cc1cc(Cl)ccc1OCc1cccnc1	727689221	OTQMRDRPIXHJNQ-UHFFFAOYSA-N	407.901	4.787	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2csc(-c3ccc4c(c3)OCO4)n2)c1C	728569067	IVADALRFBAAZAO-MFOYZWKCSA-N	417.490	4.933	50	20	HJGD	
CCSc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CCOC)c2C)cc1	728835664	SCKASKQPSWUZQL-RHTHQAGFSA-N	411.571	4.648	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC(F)F)c1	734096454	MPZLHGZHRGNVDY-KPKJPENVSA-N	412.314	4.861	50	20	HJGD	
O=C(NNc1cccnn1)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	736702343	OUHCVOCUIBYUPQ-QGZVFWFLSA-N	405.310	4.760	50	20	HJGD	
Cc1cccc([C@@H](C)C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1	740085704	ODYUFILELXOZQD-LLVKDONJSA-N	415.868	4.789	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCSCC3)cc2)c(C)n1CC(C)C	741578274	NQAFOTLIZUMOCF-KGENOOAVSA-N	422.598	4.860	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1cnc(C2CC2)s1	742005791	ICAYAEDRSMEZRQ-UHFFFAOYSA-N	407.120	4.847	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cccnc1Nc1ccccc1F	743328754	PUMMEFHAZCLGOX-UHFFFAOYSA-N	423.517	4.719	50	20	HJGD	
Cc1cc(NNC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)ccc1Br	748610629	QLJTVGSHWYGOSD-LBPRGKRZSA-N	419.348	4.571	50	20	HJGD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)NNc2cc(Cl)ccc2Cl)cc1	752813552	WKZHCCFBYQZWSI-GFCCVEGCSA-N	412.342	4.505	50	20	HJGD	
Cc1ccc(C(=O)NNc2c(F)cc(F)cc2Br)c(Br)c1	755140091	MLWVZDRVBUILFC-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cn(-c2ccc(Cl)cc2Cl)nn1	755572174	KQHQGWMPQLQDEB-ZSOIEALJSA-N	412.280	4.737	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1c(F)cc(Br)cc1F	755678659	TULBFVXOQXCZKV-UHFFFAOYSA-N	412.621	4.686	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2ccc(F)c(Cl)c2Cl)cc1Br	761814529	BYLCHQSLVIPKDZ-UHFFFAOYSA-N	420.065	4.668	50	20	HJGD	
CC(C)CN1CCO[C@@H](CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762969187	RDEUGVIWFDTNTJ-AWEZNQCLSA-N	417.444	4.822	50	20	HJGD	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c(C)o1	766568871	AUZYDTJUIRDKTI-UHFFFAOYSA-N	421.365	4.833	50	20	HJGD	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](Br)C(C)(C)C	767032991	OGQWWZXNDJDGAB-INIZCTEOSA-N	402.292	4.802	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(OCc2cccnc2)cc1	767401323	DLBINISVUKYGOI-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cnc(Cc2ccccc2F)s1	773455933	MFPXNIMQCKYSFX-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2cnc3ccccc3n2)cc1C	774791813	RJMVYYBIVUOLRI-UHFFFAOYSA-N	401.495	4.550	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ncc(Cl)cc2Cl)cc1	775270771	XXQOBRUUCWKWRN-UHFFFAOYSA-N	400.265	4.685	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(OCc2ccccn2)c(F)c1	775657406	LEBYFAIXDDYZFP-UHFFFAOYSA-N	422.247	4.650	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2OC)c1C	776406920	BPEAPMXYOHUERN-KDVQLTRESA-N	401.894	4.520	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ncc(Cl)cc2Cl)c1C	777041857	QBGSPMQSIBMMPO-KIOONODFSA-N	422.312	4.665	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1ccccc1CSc1nc2ccccc2[nH]1	778447491	YPVDMTGOLBRUMJ-UHFFFAOYSA-N	409.902	4.661	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1	780806291	HRYIYXXAYYOYGK-UHFFFAOYSA-N	419.863	4.913	50	20	HJGD	
Cc1oc(C)c(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1C	783460867	JCKCUXYALINNJO-UHFFFAOYSA-N	419.393	4.981	50	20	HJGD	
CC1=C(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@H](C)n2ncnc2N1C	798993521	LDLXFYFFLJORTQ-JTQLQIEISA-N	409.384	4.859	50	20	HJGD	
Cc1sc(-c2ccco2)nc1C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	802038583	LMUJWMFXFISVTA-UHFFFAOYSA-N	418.478	4.845	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(C)(C)c1csc(-c2cccs2)n1	805383613	IWDIUEKIMPEVOU-UHFFFAOYSA-N	402.501	4.509	50	20	HJGD	
C[C@H](CC(=O)NNc1cccc(C(F)(F)F)n1)c1ccc(F)c(Br)c1	812515827	OWITTXPSWRFMOG-SECBINFHSA-N	420.204	4.639	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CC[C@@H](O)C12CCCC2	814539720	GQLYCZFHZXZLQZ-ZIAGYGMSSA-N	408.873	4.817	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)CC(Cl)Cl)cc12	819849709	NQPTXTFHJUWUAM-UHFFFAOYSA-N	402.734	4.925	50	20	HJGD	
CO[C@H]1CCCCC1=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	915939807	RBXABLZUWZTORZ-FQEVSTJZSA-N	408.527	4.530	50	20	HJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	916129637	QAMREDIPXNOTIE-ONNFQVAWSA-N	411.049	4.609	50	20	HJGD	
O=C(NC[C@H](O)c1ccccc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918160732	QCDDDZQLSAZODG-DZGCQCFKSA-N	404.841	4.761	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCCCC(=O)Nc1ccc(Cl)cc1	918353962	OZGRLAPLEKXUTJ-MRXNPFEDSA-N	400.997	4.889	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(CCN(C)C)CC2)c(C)n1C1CCCCC1	918706341	TWJGMMDYODNJEA-HAVVHWLPSA-N	410.606	4.707	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1	918864115	LKTPRVKQTLRFOB-CIAFOILYSA-N	409.441	4.599	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2csc(-c3ccc(Cl)s3)n2)cc1C	920208699	VSLVPSRHMGVUQR-UHFFFAOYSA-N	422.988	4.773	50	20	HJGD	
COc1cccc(CN(C[C@H]2CCCO2)C(=O)CCCC[C@@H]2CCSS2)c1	920820993	NPVFDFYQWYHVJS-WOJBJXKFSA-N	409.617	4.917	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(-c3ccccc3)s2)c1C	1251874975	SIAMDSCXIDCCLW-UHFFFAOYSA-N	401.495	4.641	50	20	HJGD	
CC(C)c1nc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cs1	1318000064	GSJGRSYCRDJKEZ-UHFFFAOYSA-N	401.495	4.641	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)COC3CCCCC3)cc2)CCC1	1786013886	FPNYNJIKOVULTK-HXUWFJFHSA-N	420.981	4.877	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)on3)cc2)CCC1	1787544605	ORSDQDRLIMYSJR-QGZVFWFLSA-N	417.937	4.953	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1	1810502391	RVVFRPBUEXNEGK-MRXNPFEDSA-N	422.978	4.747	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2C)CC1	1824617909	IUEMTSZLWNIBJX-FGZHOGPDSA-N	419.009	4.944	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1828822856	BAWPTQBDCCQRKV-PMACEKPBSA-N	409.014	4.640	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)cc1	6182623	OZBAZEPBXGKJSN-RGEXLXHISA-N	402.425	4.959	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c(=O)c2c1C	15188848	KPILWQVKYKMSDW-UKTHLTGXSA-N	418.434	4.834	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(-c3ccc(OC)cc3)no2)c1C	22017026	ZJSMWMKSMBNGBL-UDWIEESQSA-N	419.481	4.829	50	20	HJGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1OCC	104752125	VKCAUWOPOQCMPJ-VBKFSLOCSA-N	414.383	4.662	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)COc1ccc(C(C)(C)C)cc1	252628969	TVWWSDQVGLOIPX-UHFFFAOYSA-N	424.932	4.661	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3)c2C)cc1Cl	302632929	FFZTXRUMPFIGEA-GDNBJRDFSA-N	424.863	4.836	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)CCNC(=O)NNc1ccc(Cl)cc1Cl	726260480	NCJZUTKUDBZGAS-UHFFFAOYSA-N	415.708	4.610	50	20	HJGD	
CCCCCCOc1ccc(CC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	727791371	CNPBUSXSIDCYGD-UHFFFAOYSA-N	423.340	4.956	50	20	HJGD	
O=C(NN[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Br)s1	732917658	AXZQUZBDNSDVTH-MRXNPFEDSA-N	401.329	4.729	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)o1	735037000	CUPLYZWQSVBBGF-UHFFFAOYSA-N	421.844	4.744	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(OCC3CC3)CC2)c1C	743789353	ZLJFJWNNBCMQRX-HAHDFKILSA-N	417.553	4.727	50	20	HJGD	
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NNc1ccc(Cl)nc1	743815922	CIPYYCTWNUVPDR-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
Cc1c([C@H](NC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C(C)C)oc2ccccc12	745816113	UQGDUFZZIBWRIP-HXUWFJFHSA-N	423.517	4.540	50	20	HJGD	
COc1ccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)cc1	746883520	UNMOBAQAICCVRM-UHFFFAOYSA-N	412.493	4.922	50	20	HJGD	
N#Cc1csc(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1	748074076	CXGUIMAUSSMCSU-UHFFFAOYSA-N	417.519	4.552	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(-c3ccc(Br)cc3)s2)n1	748338460	FHHIULWGXDGMKV-UHFFFAOYSA-N	423.723	4.686	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccsc1	748501980	PROJTTQLTVRKRL-UHFFFAOYSA-N	421.400	4.656	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccccc1C(=O)c1cccs1	748748802	SQKOAFPZOJOXPF-UHFFFAOYSA-N	415.312	4.807	50	20	HJGD	
COC(=O)c1cc2c(/C=C(/C#N)C(=O)c3cc4ccccc4o3)ccc(OC)c2o1	749000269	WPXYGWJVBFKVSO-DHDCSXOGSA-N	401.374	4.764	50	20	HJGD	
O=C(NNc1nccc2sccc12)C1(c2ccc(Br)cc2)CCC1	749535708	BUKIAVYCTIUZEG-UHFFFAOYSA-N	402.317	4.624	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCC(F)(F)F	750899606	JGZSCZSKWOGNIA-ZROIWOOFSA-N	408.351	4.711	50	20	HJGD	
Cc1cc(N(C)C)cc(C)c1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	752854950	CCOWGTFAVMFXQO-VZIOXZNFSA-N	420.557	4.512	50	20	HJGD	
Cc1sc([C@H](C)NC(=O)NNC(=O)CC(C)(C)C)nc1-c1ccc(Cl)cc1	755321316	RWSNHUPNCAPTPA-NSHDSACASA-N	408.955	4.600	50	20	HJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNC(=S)Nc1cccc(Br)c1	756125554	DAYOGAFZHGHQQZ-PKNBQFBNSA-N	424.751	4.524	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	758803925	KPXJXKVYHSVVDW-GVDBMIGSSA-N	416.653	4.852	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)c1	759322389	RMMDHKKFPGJSGE-UHFFFAOYSA-N	408.458	4.505	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)c(Cl)c1	759694104	SHTBUXLDDPPYQW-GOSISDBHSA-N	404.873	4.583	50	20	HJGD	
N#CCCCn1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c2ccccc21	768091058	SEBGZQHBYSUJGU-UHFFFAOYSA-N	416.403	4.643	50	20	HJGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1c(Cl)cccc1Oc1ccccc1	769566246	BLPLZBRPHWPDDH-UHFFFAOYSA-N	404.857	4.852	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(C(F)(F)F)ccc1Br	771015139	FYIRTILGMNYWFW-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
CC(C)CO[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773405705	XGUJNDGOZKZFJE-ZDUSSCGKSA-N	416.412	4.556	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2cc(Br)ccc2o1	779202259	XQDTVJFPYSEAMH-UHFFFAOYSA-N	415.165	4.851	50	20	HJGD	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NNc2ccccc2F)cc1	782703061	PAIBKPJUMKQEQS-HNNXBMFYSA-N	409.486	4.761	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccccc2OCc2cccc(Cl)c2)c1	783359584	SHJXPLIRAFVTGS-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1OC	787151742	QUXVDAPZWBZODO-AYCSXLNKSA-N	414.889	4.540	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(-c3ccncc3)ccc2OC)cc1	787153503	DYKZMNUSTZWOGC-HRKXOBMBSA-N	413.477	4.550	50	20	HJGD	
O=C(Cc1ccc(Br)c(Cl)c1)NNc1ccccc1OC(F)(F)F	787305429	BMXYKSVWGBYRDF-UHFFFAOYSA-N	423.616	4.687	50	20	HJGD	
O=S(=O)(CCCCCl)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1	788046690	AHXQOINSGCEQAT-UHFFFAOYSA-N	409.722	4.941	50	20	HJGD	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ccc(Cl)c(OC)c2)c1	788652083	FNWCUZLWMNEMPV-UHFFFAOYSA-N	411.289	4.889	50	20	HJGD	
Cn1cc(C(=O)NNc2c(Cl)cccc2Cl)c(-c2ccc(Cl)s2)n1	789817580	UACYZZYGQUYHBM-UHFFFAOYSA-N	401.706	4.866	50	20	HJGD	
O=C(O)CC[C@H]1CCCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790622014	WGDGVQWSYMRINM-LLVKDONJSA-N	423.425	4.752	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	813049705	CKBGTHRQHMIORT-UHFFFAOYSA-N	422.460	4.527	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCC2(c3ccccc3)CCOCC2)c1C	915180207	LPXBWPKSPUZILL-HAVVHWLPSA-N	419.569	4.677	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H](Cc1ccccc1)c1ccccc1	915918386	OTCVHFVCCIEOGM-GKWUYRECSA-N	417.553	4.517	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)COc3ccc(F)cc3)s2)cc1	916331855	XHTFPTHXEJFKPP-UHFFFAOYSA-N	418.881	4.517	50	20	HJGD	
O=C(NN=Cc1ccc(CSC(F)F)o1)c1ccc(COc2ccccc2)o1	916360538	WZVVRJPEGCTYGM-UHFFFAOYSA-N	406.410	4.671	50	20	HJGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c(C)c1	918231371	HFNYEFAVDJHLDY-LJQANCHMSA-N	404.514	4.973	50	20	HJGD	
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)CCCC[C@@H]1CCSS1	918696579	AZVVQUIHLOETCT-RBUKOAKNSA-N	409.617	4.917	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccn(C3CCCCC3)n2)c(C)n1C[C@@H]1CCCO1	1339139299	JCRUJQAUSWFNRJ-PZHBDVNGSA-N	421.545	4.531	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1c(F)cccc1Cl	1790224784	JDQSGDMLIYOWSW-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3F)CCC2)cc1	1790490102	UPZKSMFBJCOLDV-QGZVFWFLSA-N	406.860	4.730	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2C)[nH]n1	1815315587	XFVDGTNCOMLFBB-FUHWJXTLSA-N	420.916	4.571	50	20	HJGD	
Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)cc1C	1820537115	PTUJAGBNDXYEDU-GOSISDBHSA-N	416.953	4.597	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1	1820860373	LIPUFTILSAPYET-IEBWSBKVSA-N	414.937	4.610	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1	1828257329	GGULONJHQRZHIQ-UXHICEINSA-N	416.949	4.684	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1828822863	BAWPTQBDCCQRKV-WOJBJXKFSA-N	409.014	4.640	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C(C)C)CCC2)CC1	1832488445	UQLGRRHLQAIKDO-WOJBJXKFSA-N	411.030	4.840	50	20	HJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1	7713360	QJUMZMMMEVFZDM-RQZCQDPDSA-N	405.479	4.890	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3oc4ccccc4c3C)cc2)cc1	14687556	OWQKSCOKUOLJGB-UHFFFAOYSA-N	420.490	4.639	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCN(Cc2cccc3cccnc23)CC1	42062830	LONYVAYLGMGJGM-FQEVSTJZSA-N	415.628	4.593	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nccs2)c(C)n1-c1ccc(OC(F)F)cc1	727432768	RCKGCQOVHRMETI-GDNBJRDFSA-N	414.437	4.698	50	20	HJGD	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727793594	UJTCVZVRCSUVST-GFCCVEGCSA-N	409.313	4.519	50	20	HJGD	
Cc1cc(C)cc([C@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1	730553984	UMZCACXPTOSKDL-QFVADWCQSA-N	423.520	4.865	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1nc(-c2ccccc2)cs1	730678440	WSUZAUKJXTUVIF-GFCCVEGCSA-N	404.442	4.799	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@H]1CCN(CC2CC2)C1	731107428	ANDJTAMHZNUJCH-SWLSCSKDSA-N	407.889	4.512	50	20	HJGD	
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(C(F)(F)F)ccc1F	733201827	YYDDMGUQIQRYBE-UHFFFAOYSA-N	409.166	4.680	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2csc([C@@H](C)OCC)n2)c1C	736758109	TZRQXHGTDBSYGG-LTKMBJGESA-N	401.532	4.719	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)c1	738556020	QLJZFFKJIWRNFJ-AWEZNQCLSA-N	409.477	4.834	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H](Cc1ccccc1)c1cccs1	743628358	QIMUIBRUYDJYKB-OAQYLSRUSA-N	415.518	4.829	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)cc1	744501557	FVJFRICQZNWPPN-KTMBLSSYSA-N	412.489	4.864	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n(CCC#N)n1	748638000	AZSLGUYUXNYPNB-ZHZULCJRSA-N	404.518	4.574	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3cccc4cnccc34)cc(-c3ccccc3)nc21	748769416	GWMSGFCGNSVYAG-UHFFFAOYSA-N	422.492	4.984	50	20	HJGD	
C[C@H](CCC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1	750537792	ZTJNDEUNQGCDLF-GOSISDBHSA-N	423.538	4.514	50	20	HJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2)s1)C(=O)Nc1ccc2c(c1)OCCO2	750893706	SGHAAIPHSRYTCQ-RVDMUPIBSA-N	406.438	4.871	50	20	HJGD	
CCn1ccnc1C=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	755491763	PYSJPIBBCKYXIF-UHFFFAOYSA-N	403.873	4.536	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1ccccc1SC1CCCC1	755718390	HFFDDUGVKNYRLF-UHFFFAOYSA-N	406.511	4.736	50	20	HJGD	
CC[C@H](NNC(=O)c1ccc(Br)s1)c1ccc(Br)cc1	760462102	KRJVXXJJYCHLKK-NSHDSACASA-N	418.154	4.659	50	20	HJGD	
CN(Cc1cccc(O)c1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762638190	FUDBAZNLBZCRIP-UHFFFAOYSA-N	410.364	4.647	50	20	HJGD	
CC[C@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccncc1	762668105	UFXKYHMZUIHGLS-AWEZNQCLSA-N	409.380	4.945	50	20	HJGD	
COCc1ccc([C@H]2CCCN2C(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)o1	767248474	ZMVTXNWQRCRSLR-FNUHDPNESA-N	409.530	4.771	50	20	HJGD	
COc1ccc(NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	768331997	MRCHJSQPYQKIFA-HXUWFJFHSA-N	409.467	4.580	50	20	HJGD	
CC(C)c1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1	772471590	LOLWOYFVYWPRAQ-UHFFFAOYSA-N	404.392	4.651	50	20	HJGD	
CC[C@H](CSC)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773693837	ZHFWLCLIQQGKBY-LLVKDONJSA-N	406.442	4.883	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3ccc(O)cc23)c1C	782739657	BWWVIHPTZWKSGS-YODDIOPGSA-N	403.482	4.717	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N(CCO)c1ccccc1	782910612	LZILBFFUBDZEEP-UHFFFAOYSA-N	403.394	4.532	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(OC(F)(F)F)c1)c1c(Cl)cccc1Cl	783734266	MCBYJAJNQCQUGG-UHFFFAOYSA-N	424.231	4.523	50	20	HJGD	
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	787209444	BXZGCPUDYRQBJT-FIYNTEMGSA-N	416.452	4.547	50	20	HJGD	
N#C/C(=C\c1nccn1-c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl	790210052	WWHPDJZSYXZGOR-RVDMUPIBSA-N	404.278	4.517	50	20	HJGD	
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NNc1cc(Cl)cc(Cl)c1	792441468	RRBFJNPVSSLHNV-UHFFFAOYSA-N	416.692	4.517	50	20	HJGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	794932245	VDTSRDCULDBAOZ-XYOKQWHBSA-N	409.656	4.979	50	20	HJGD	
Cc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c(C)c1	800118913	QGHFMOFDWWIBEW-XKZIYDEJSA-N	421.541	4.857	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2nccc(C(F)F)n2)c(C)n1C1CCCCC1	807891248	LXKPNAZXHBBZBR-GZTJUZNOSA-N	413.472	4.561	50	20	HJGD	
O=C(NN=Cc1cc(F)ncc1F)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	807944536	FSVXRMHNBJJHJV-UHFFFAOYSA-N	422.822	4.992	50	20	HJGD	
O=C(NCC(Cl)Cl)c1ccccc1Sc1ccc(Br)cn1	808129909	YNTLAIZDDFVCDX-UHFFFAOYSA-N	406.132	4.529	50	20	HJGD	
N#C/C(=C\c1cc(Br)cc(Br)c1)c1nnc2n1CCCCC2	809147374	MRTRHKISEQTZKQ-WUXMJOGZSA-N	422.124	4.594	50	20	HJGD	
COc1cc(OC)cc(Oc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cn3)cc2)c1	812242975	ZETGPTDNJWMKFG-SXGWCWSVSA-N	403.394	4.863	50	20	HJGD	
CCN1CCC[C@H]1Cn1c(C)cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c1C	914694071	WXUNFLKWULHGPA-SFHVURJKSA-N	421.372	4.660	50	20	HJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)c2c(C)[nH]c(C)c2C(=O)OCC)c1Cl	915851357	FUEVWXSFJBDGLB-GDNBJRDFSA-N	416.909	4.557	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)c1c[nH]c2ccccc12	915851491	ISGMUCFVJAAUNO-SFQUDFHCSA-N	400.438	4.856	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(C=NNC(=O)c2ccc3ccccc3c2)cs1	917547488	TZEOXYLKOIQYFJ-UHFFFAOYSA-N	414.490	4.745	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc1	918581701	QMOLUTRHOSVJIR-LUJRCDHRSA-N	413.315	4.502	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1C	920012411	FZNQLZWTIHMSHL-YJADQXIJSA-N	409.530	4.613	50	20	HJGD	
CC(C)c1ccc(-c2noc(CCC(=O)NNc3ccc(OC(F)F)cc3)n2)cc1	1116347484	MRSBLVGRORLPSL-UHFFFAOYSA-N	416.428	4.537	50	20	HJGD	
Cc1nc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)ccc1F	1787073622	OQBSWZUWBFHIOE-UHFFFAOYSA-N	417.912	4.542	50	20	HJGD	
CC[C@@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)CCl)c1ccccc1	1792881223	WNECOWOURNFVTM-QNDFHXLGSA-N	419.009	4.720	50	20	HJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccnc4cc(Cl)ccc34)o2)cc1	10373656	DFYNPZXOCOXWSN-UHFFFAOYSA-N	406.873	4.928	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cs2)cc1	141371848	FCVZCCCCMLXDHT-UWCCDQBKSA-N	419.506	4.515	50	20	HJGD	
C[C@@H](NC(=S)NNC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1Cl	727172090	CPOLYMABUPNIPQ-SNVBAGLBSA-N	408.310	4.610	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(N4CCOCC4)c(F)c3)n2)cc1	727267270	RRGFGRHGMSGGBS-PDGQHHTCSA-N	421.497	4.859	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)Cc2ccccc2C)c1C	728183827	UHVOCKRJBILFAS-AYBNGVQBSA-N	407.558	4.665	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c2c(c1)C[C@H](C)O2	728439595	BIVKFNDYLUAKPM-OFXGXDKDSA-N	418.415	4.789	50	20	HJGD	
Cc1cccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)c2cccc(C#N)c2)c1	728784623	IFOOLQWAFXGDLS-UHFFFAOYSA-N	419.488	4.542	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC(C)(C)C(=O)Nc2ccccc2)c(C)n1CCC(C)C	730984587	DVAPISIDVBHDFZ-RCCKNPSSSA-N	420.557	4.592	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(C(=O)N(CC)CC)c2)c1C	741600036	QNWXMQDAVGUWRH-KGENOOAVSA-N	407.514	4.510	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ncc(C(C)(C)C)s2)c(C)n1C[C@@H]1CCCO1	742807050	XBTMTHBLRSCJGB-LTXFRBGYSA-N	412.559	4.584	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1	744572181	XPWJEZPKPSFBJL-YHZJOHHESA-N	412.873	4.525	50	20	HJGD	
O=C(CCCc1nc(-c2ccc(F)cc2)no1)NNc1ccc(Cl)cc1Cl	748011857	FPCSADVAHQKENK-UHFFFAOYSA-N	409.248	4.649	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNc1ccc([N+](=O)[O-])cc1Cl	748710032	GIYWBUINMYDMJB-UHFFFAOYSA-N	421.240	4.633	50	20	HJGD	
Cc1nc(CCCC(=O)NNc2c(Cl)cc(Br)cc2Cl)cs1	750052736	XXBLDAKQAHOLLU-UHFFFAOYSA-N	423.163	4.987	50	20	HJGD	
COc1ccc(-c2nc(CN3CCN(/C(=C\C#N)c4ccccc4)CC3)cs2)cc1	750791997	XFGWEZSTFLJDCG-KSEXSDGBSA-N	416.550	4.501	50	20	HJGD	
O=C1CCCN1CC[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)c2ccccc21	751416101	PHJOJIXLYHHUHX-QZTJIDSGSA-N	418.628	4.843	50	20	HJGD	
Cc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1-c1nnnn1C1CC1	752423847	VOBUEUGUPUDLBH-INIZCTEOSA-N	403.577	4.636	50	20	HJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3cccc(C(F)(F)F)n3)c2c1	752805464	HLSBSSULUOORDU-UHFFFAOYSA-N	400.404	4.900	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(NC(=O)C2CC2)cc1	752871624	UQTUTINRTRYYQV-NSHDSACASA-N	407.301	4.729	50	20	HJGD	
CCSc1ccc(Cl)cc1NC(=O)NNC(=O)c1cc(-c2ccccc2)on1	756425252	YVEFSLMLBNTTFF-UHFFFAOYSA-N	416.890	4.574	50	20	HJGD	
C/C(=C/c1ccccc1)CN(C)C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	756576612	XTBYKJIHXKWRGL-FQYIYNGFSA-N	417.553	4.753	50	20	HJGD	
Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CO2	762676266	ZXFKMQFJQIKHQP-CQSZACIVSA-N	422.375	4.841	50	20	HJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCC(=O)O)c(OC)c2)cc1	763367173	AEKSZIRCLQMCIS-HUCUOGIVSA-N	422.481	4.608	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=CC2CCC(C(F)(F)F)CC2)c1Cl	767363500	YELHBXVHYUCQIJ-UHFFFAOYSA-N	417.646	4.708	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC2CCC(C(F)(F)F)CC2)c1C	770304776	LDCUMBOKKHCGBG-WOJGMQOQSA-N	412.452	4.570	50	20	HJGD	
C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)CCCC[C@H]1CCSS1	772756798	RCUNAWFAHFEDPH-HKUYNNGSSA-N	415.628	4.986	50	20	HJGD	
COc1ccc(-c2ccncc2)cc1C=NNC(=O)c1c(Cl)cccc1Cl	774385850	RFACHZKKJOLXQP-UHFFFAOYSA-N	400.265	4.828	50	20	HJGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2c(F)cc(F)cc2Br)s1	778931975	CGXCZNFNIRBVKN-UHFFFAOYSA-N	412.259	4.849	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1	780805911	IWYYKIJHKSUYCW-UHFFFAOYSA-N	407.539	4.733	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ncncc1Cl)c(C)n2C1CCCCC1	781831588	JLLYRPLKVKSWNV-UHFFFAOYSA-N	413.909	4.664	50	20	HJGD	
CC(C)(C)OC(=O)NCc1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791739165	GIAJWZGFJWBWRX-UHFFFAOYSA-N	410.301	4.775	50	20	HJGD	
COCCCC[C@H](NC(=O)NNC(=O)Nc1ccc(C)cc1Cl)c1ccccc1	792285115	XCBKLHRZUCIKFG-SFHVURJKSA-N	418.925	4.542	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[C@@H]1CCCOC1	794881832	DRBMIDWXPCASAA-CCAPLTMGSA-N	412.829	4.943	50	20	HJGD	
N#C/C(=C/c1c(F)ccc(Br)c1F)S(=O)(=O)c1ccc(Cl)cc1	799890454	MNBUENXQZFHNEL-XFFZJAGNSA-N	418.646	4.719	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cccc(C)c2C)c1C	801071882	ZTIQQRUZKDMTJY-BKUYFWCQSA-N	407.514	4.611	50	20	HJGD	
O=C(Cc1cccc(Cl)c1F)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	811522272	HGCIVXXZRSJECI-UHFFFAOYSA-N	424.785	4.641	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccc(Cn2cccn2)o1	915839997	JTMMTTQONGUKJB-MRXNPFEDSA-N	415.824	4.996	50	20	HJGD	
N#C/C(=C/c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1)C(=O)Nc1ccccc1	915843853	KYIQRJYQWPZZJD-KBNZVFGVSA-N	418.456	4.778	50	20	HJGD	
O=C(NN=C/C=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccncc2)nc2ccccc12	916284593	NEXCCYXYJPCPMR-FONYWYSESA-N	423.432	4.634	50	20	HJGD	
O=C(NN=Cc1c(F)cccc1Cl)c1cc(-c2ccncc2)nc2ccccc12	916284672	QWZASMHNRFDNLO-UHFFFAOYSA-N	404.832	4.853	50	20	HJGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1nn(CCC(C)C)c(=O)c2ccccc12	916335563	UIMIHWSUXPITHX-YCYIVKLFSA-N	408.546	4.851	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CN3CCCC3=O)cc2)c1C	916428271	BBRZUBUMVSQHAE-JCMHNJIXSA-N	418.541	4.573	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cnn(C)c2)c(C)n1-c1cccc2ccccc12	917229367	RXERTLCQENAFLY-UUYOSTAYSA-N	410.477	4.631	50	20	HJGD	
Cc1nc(SCC(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c2c(C)c(C)sc2n1	917368689	ZVPRXDOOSZFKNX-UHFFFAOYSA-N	403.485	4.531	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(C=NNC(=O)c3ccc4ccccc4c3)c2)cc1	917547576	WCGCJOKWANXCBM-UHFFFAOYSA-N	423.472	4.865	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2-n2cncn2)c1C	918592317	CTLJVFWUVFMULT-WQRHYEAKSA-N	422.920	4.685	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCc3c(Cl)cccc32)c(C)n1C[C@@H]1CCCO1	919873480	UZSGJTBHRCFKEW-QRVQONDESA-N	423.944	4.648	50	20	HJGD	
CCc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1	1786012398	CAHQFJKAHUQWQQ-UHFFFAOYSA-N	417.937	4.558	50	20	HJGD	
CC1(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)CCCC1	1789647285	SIFLXXIIRQTTSF-UHFFFAOYSA-N	402.611	4.552	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3F)CCC2)cc1	1790490240	YWJSTJXNNQNZJY-GOSISDBHSA-N	418.896	4.599	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)cccc2Cl)n[nH]1	1821144658	OIIPJIXQISFSHZ-XJKSGUPXSA-N	423.344	4.695	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(OC)c1OCc1ccccc1	213229737	MBTYCPZPFGEHMN-MOSHPQCFSA-N	420.509	4.639	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CCOc1ccc2ccccc2c1	727177755	FFWBJJAZYXRMHT-UHFFFAOYSA-N	407.539	4.750	50	20	HJGD	
O=C(NNC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1c(Cl)cccc1Cl	727805867	BMGNUBQLLJZNNB-UHFFFAOYSA-N	411.716	4.920	50	20	HJGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	729623713	LTEUWGKREWWDGT-SBUREZEXSA-N	417.509	4.551	50	20	HJGD	
COCc1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)ccc1F	730756909	NYQWWEIHXCZQOY-MTJSOVHGSA-N	411.521	4.660	50	20	HJGD	
COc1cc(C(=O)NN=Cc2c(Cl)cccc2OC(F)F)ccc1OC(C)C	732923790	JLRILYNCULMSRB-UHFFFAOYSA-N	412.820	4.501	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc(Br)cs1	733808147	SOUKBKPTPQDICE-UHFFFAOYSA-N	410.518	4.683	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1	733873965	LCSNLVLZDZQEEJ-UHFFFAOYSA-N	401.869	4.600	50	20	HJGD	
CC(C)Oc1ccc(-c2nc(C(=O)NNc3cc(F)c(F)cc3F)cs2)cc1	734553092	CJFQINSGWVWZFY-UHFFFAOYSA-N	407.417	4.772	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NN=Cc2c(-c3ccccc3)nn(C)c2Cl)cc1	734746067	DJCMGAGGVWQWQA-UHFFFAOYSA-N	424.932	4.929	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@@H]1C[C@@H]1c1c(F)cccc1F	734947735	ZBOQGOPYCLOKDO-UPONEAKYSA-N	407.635	4.502	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F	741554425	JLEGTTPPCXBAJA-SNVBAGLBSA-N	419.230	4.967	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCCc2cc(C(C)=O)ccc2O)c1C	744570574	NYCHLVBQUGILEO-HMAPJEAMSA-N	408.498	4.506	50	20	HJGD	
Cc1cnc([C@H](NC(=O)NNc2nc(Cl)c(Cl)cc2Cl)C2CC2)s1	745866147	KDYFXKNMHVVSNG-SNVBAGLBSA-N	406.726	4.584	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NN=C(C)c2ccc([S@](C)=O)cc2)cc1	746370360	JKLIIEZEQNLICV-NDEPHWFRSA-N	400.544	4.537	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1NC(=O)OC(C)(C)C	748732935	QUHNBDYRMGIKLZ-UHFFFAOYSA-N	420.853	4.661	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3cscn3)c2C)cc1	749275430	BVZGSFLKPVCECB-ZDLGFXPLSA-N	407.495	4.600	50	20	HJGD	
C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)NNC(=O)c3c[nH]c4ccccc34)c2)C1	756257040	KHYMZKZSWHDPKA-QFBILLFUSA-N	420.513	4.730	50	20	HJGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@@H]1C	758098292	CCNHFBIQXNEDES-GUYCJALGSA-N	402.491	4.639	50	20	HJGD	
O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762606843	ZVZQUBAYZPQXRE-UHFFFAOYSA-N	421.347	4.799	50	20	HJGD	
CCOc1cc(C(=O)NNc2ccc(Br)cc2CC)cc(Cl)c1O	762678427	RKVMXGSOBVHESQ-UHFFFAOYSA-N	413.699	4.526	50	20	HJGD	
CN(C)CCOc1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)ccn1	762761243	YWKVGOJJHGWVNR-UHFFFAOYSA-N	411.396	4.932	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cn(C)nc2C(F)F)c(C)n1C1CCCCC1	770324603	HUQUUXRTHBQNKS-YVLHZVERSA-N	416.472	4.932	50	20	HJGD	
O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772824694	VGKNJSAAMXJLBF-ZETCQYMHSA-N	413.195	4.593	50	20	HJGD	
CC(C)(C)Oc1c(F)cc(NC(=O)NNc2ccc(C(F)(F)F)cn2)cc1F	775722706	VAGHJMXIAIRVFT-UHFFFAOYSA-N	404.339	4.705	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)cc1	780806337	KZRQFANWXLLMKR-UHFFFAOYSA-N	400.372	4.944	50	20	HJGD	
O=S(=O)(CCCCCl)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	780832006	LRSDXZJMLQISCW-CQSZACIVSA-N	404.281	4.748	50	20	HJGD	
Cc1cc(Br)c2oc(C(=O)NNc3ncccc3C(F)(F)F)cc2c1	782854316	SDUSSKHACLWAHZ-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
Cc1cccc([C@@H]2CCN(C(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)C2)c1	784520522	UKIZPUPDBRJSEU-LYIYNVSDSA-N	417.553	4.515	50	20	HJGD	
Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNc1c(Cl)cc(F)cc1Cl	784881647	XTRBISUMXUUKOT-UHFFFAOYSA-N	424.181	4.542	50	20	HJGD	
COc1cc(NNC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)ccc1Cl	790176584	YHEBANIGBYLGBW-UHFFFAOYSA-N	401.919	4.775	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cc(C)n(Cc2ccccc2)c1C	793463432	IAXVLCSBBMEWMT-UHFFFAOYSA-N	420.582	4.655	50	20	HJGD	
CO[C@@]1(C)CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	795293395	QZEXTKMHIWRSBV-AWEZNQCLSA-N	409.442	4.924	50	20	HJGD	
CSc1cccc(COC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1	797043140	MHEVHQHYYLMPNW-GUBQRQEFSA-N	410.539	4.656	50	20	HJGD	
CCCCCCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	797329205	OMIYXRKEQVSMQV-NBVRZTHBSA-N	409.921	4.721	50	20	HJGD	
CCc1occc1C(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1	797410247	BIDNPILYGSSWSN-UHFFFAOYSA-N	412.511	4.555	50	20	HJGD	
N#C/C(=C\c1csc(-c2cccc(Br)c2)n1)c1ccc([N+](=O)[O-])cn1	812245034	LXYCGHPNHHSPIS-KPKJPENVSA-N	413.256	4.940	50	20	HJGD	
Cc1c(NNC(=O)c2cc(Br)c3ccccc3c2)cccc1[N+](=O)[O-]	815855348	ODQXVOIYYSIAHV-UHFFFAOYSA-N	400.232	4.576	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	857513783	KCMDUDYUWKIVDP-UHFFFAOYSA-N	411.305	4.942	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nnc(C3CC3)s2)c(C)n1-c1ccccc1F	862353068	SLFBYSFBTSMPCH-YBEGLDIGSA-N	407.474	4.508	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)n1	900863120	SNGHICFQELDOIV-CYVLTUHYSA-N	421.504	4.885	50	20	HJGD	
Cc1ccc(C(C)C)c(Oc2ccc(C=NNC(=O)c3cccnc3)cc2[N+](=O)[O-])c1	916252212	ZTLQKSHCIOUHLO-UHFFFAOYSA-N	418.453	4.978	50	20	HJGD	
COc1cc(C=NNC(=O)CNc2ccc(C)cc2C)ccc1OCc1cccs1	917573127	YUKWMGSAVNZZPK-UHFFFAOYSA-N	423.538	4.515	50	20	HJGD	
O=C(NCc1ccc(N2CCCC2)cc1)NN(Cc1ccccc1)c1ccccc1	918208409	DZSXEXMLEFFSCC-UHFFFAOYSA-N	400.526	4.708	50	20	HJGD	
CCCCNC(=O)NNC(=O)c1oc2ccccc2c1CSc1ccccc1F	921165924	FFNXLCBOHTWCNB-UHFFFAOYSA-N	415.490	4.608	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(I)c(C)cc2C)cc1Cl	1325015372	LAHVFFFMGVNMNP-UHFFFAOYSA-N	414.674	4.627	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3sc(C)nc3C)CCC2)cc1	1786443292	DUVJFQMSPUYIFY-KRWDZBQOSA-N	419.978	4.915	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1824613862	XIYILWZMYAGOLW-MOPGFXCFSA-N	414.993	4.686	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2C(C)(C)C)c1C	21123491	SIYAVTXQUVCCOT-XSFVSMFZSA-N	421.541	4.901	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2)c1C	22300669	OSQSXKNHCMROAS-ORTNRGLGSA-N	407.514	4.691	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2Cl)o1)NNC(=O)c1cccc2ccccc12	303936681	WLVSIVIDEMJPDZ-UHFFFAOYSA-N	419.868	4.542	50	20	HJGD	
CSc1cc2c(cc1NC(=O)NN(Cc1ccccc1)c1ccccc1)OCCO2	726078601	LPWZUGYHPBHYBL-UHFFFAOYSA-N	421.522	4.923	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccccc2)n1)c1c(Cl)cccc1Cl	727779212	RGRQMUGUPOVKNC-UHFFFAOYSA-N	406.294	4.793	50	20	HJGD	
O=C(NN=Cc1sc(Nc2ccccc2)nc1Cl)c1cccc2ncccc12	730146207	KHBSVMCUOTVBKE-UHFFFAOYSA-N	407.886	4.852	50	20	HJGD	
Cc1nc(CCC(=O)NNc2ccnc3cc(Cl)ccc23)oc1-c1ccccc1	730274868	QAZRYPSDESRUOB-UHFFFAOYSA-N	406.873	4.928	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C)c1ccccc1	732241585	AZDMNNXEQNRZRQ-APWZRJJASA-N	422.554	4.704	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccccc2)cc1NC(=O)c1ccc(Br)cc1	732265759	DIQSAXJRWPGRPN-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccn(-c4ccncc4)n3)c2C)cc1	733769600	JFJOGTJQHVZPRZ-RCCKNPSSSA-N	422.492	4.529	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3c(C)nn(CCCl)c3C)s2)cc1	733933373	QBABPYFFTIMOQG-AWEZNQCLSA-N	416.978	4.970	50	20	HJGD	
Cc1cc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)ccc1Oc1cccnc1	741769610	CEXPBZDXGPRWFZ-UHFFFAOYSA-N	412.396	4.939	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccco1	743289367	SDJNAEIOQUEPDA-AWEZNQCLSA-N	419.868	4.713	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C)C1CCOCC1	746410049	MTPIUUKIDSKNOA-NLZIUFDSSA-N	405.542	4.631	50	20	HJGD	
Cc1noc(C)c1N(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	747879894	SOWNKZYRXJXASG-WQRHYEAKSA-N	408.889	4.922	50	20	HJGD	
N#Cc1ccc(OCc2cccc(C(=O)NNc3ccccc3Br)c2)cc1	748060350	RPISKHHPCFZZCV-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCCc2nc(-c3ccccc3)no2)c1C	748638566	LOMCECAMNJYJGF-QNGOZBTKSA-N	418.497	4.648	50	20	HJGD	
COc1ccc(-c2cncc(C(=O)NNc3ccc(Br)cc3C)c2)cc1	748743021	BXMVHQAZGWVURF-UHFFFAOYSA-N	412.287	4.585	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1	750667233	VOSGOTWSNMICEQ-PDGQHHTCSA-N	406.482	4.728	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3nccn3C(C)C)c2C)cc1	752062473	BIASYCLSPUHWTP-MOSHPQCFSA-N	418.497	4.531	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cc1	752912337	KUOJVZPJSAYTEC-ATVHPVEESA-N	406.873	4.779	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc(CCC(F)(F)F)c2)c2ccccc2n1	757619801	SUIJWLOJEDCXND-UHFFFAOYSA-N	416.403	4.505	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Br)cc2)cnn1-c1ccc(C)cc1	760461071	YVSJWNUANYFLAF-UHFFFAOYSA-N	413.319	4.653	50	20	HJGD	
CC(=O)Nc1cc(C(=O)NNc2c(Cl)cccc2Cl)cc(C(F)(F)F)c1	763610304	BBXSJWYYJYRNLY-UHFFFAOYSA-N	406.191	4.728	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1	767034923	ZSZCIUFPLHXNOV-GOSISDBHSA-N	421.310	4.755	50	20	HJGD	
C[C@H](Br)c1nc2cc(-c3ccc(Br)cc3)sc2c(=O)[nH]1	767357250	GLLKDYLPRNCCDF-ZETCQYMHSA-N	414.122	4.870	50	20	HJGD	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NNc2ccccc2F)cc1	769978613	XFBNPXIAJPMBLC-UHFFFAOYSA-N	412.852	4.904	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc(-c2cccs2)nc2ccccc12	773621031	OSQRDESTPWGIFP-UHFFFAOYSA-N	421.453	4.646	50	20	HJGD	
COc1cc(/C(C#N)=C\c2cc(Cl)ccc2OC[C@@H]2CCCO2)ccc1[N+](=O)[O-]	774563215	XXAIMRGUEJVAID-VUZIPCMWSA-N	414.845	4.879	50	20	HJGD	
C=C(C)[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1	776183775	WAVOWNCNRVDXGI-MRXNPFEDSA-N	414.239	4.533	50	20	HJGD	
Cc1ccccc1[C@@H](O)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777966326	BTUWPGZULAOHBO-HNNXBMFYSA-N	417.421	4.664	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(-c2ccc[nH]2)cc1	779448435	MWEKDZIVNRSANW-UHFFFAOYSA-N	416.235	4.501	50	20	HJGD	
COc1cccc(NNC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)n1	781027389	PNIZEQJLWGKYAU-UHFFFAOYSA-N	405.351	4.672	50	20	HJGD	
COc1ccccc1CSc1ccccc1NC(=O)NNc1ncncc1Cl	782055443	CAIUQHJOBVACRH-UHFFFAOYSA-N	415.906	4.580	50	20	HJGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3cccc(Br)c3)cc2)n1	787182320	CKSUOKPHASWXRY-RVDMUPIBSA-N	423.270	4.521	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)c1C	789961544	WQPOTAIETSEVHI-XGHPXPSOSA-N	405.420	4.877	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)CC(=O)N3C)c(C)n1C1CCCCC1	790096993	BUBYDLFJIWSWCW-NDENLUEZSA-N	416.525	4.675	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc(C#N)cc2)c(OCc2ccccc2)c1	790805245	ZYNQLOXQAIDLJR-UHFFFAOYSA-N	401.466	4.683	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1C(C)C	792372574	XJFCITHHNUCQHX-UHFFFAOYSA-N	412.497	4.518	50	20	HJGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	792627707	DLADUXJNIFEZDW-UHFFFAOYSA-N	424.957	4.772	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccccn3)cs2)c1C	800341911	VPCIAPMNIGRCKK-WQRHYEAKSA-N	406.511	4.684	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cccc(F)c1	804210283	UTZZPVMWLZAPIZ-UHFFFAOYSA-N	418.394	4.722	50	20	HJGD	
O=C(Cc1cccc(C(F)F)c1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211115	LXTXRKJTHALZBJ-UHFFFAOYSA-N	422.357	4.786	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)NNc2ncncc2F)c(C(F)(F)F)c1	814625864	HKFDFWLVEMKCBP-VIFPVBQESA-N	403.405	4.674	50	20	HJGD	
O=C(NN=Cc1conc1Cc1ccccc1)c1cc(-c2ccco2)nc2ccccc12	814736032	LUDNLZZBJHZMTH-UHFFFAOYSA-N	422.444	4.838	50	20	HJGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	816641291	NOAJWCWGIFPFLF-UHFFFAOYSA-N	415.419	4.746	50	20	HJGD	
CCC(=O)Nc1cccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	817013869	HISRMEZEKXBSQG-UHFFFAOYSA-N	419.325	4.830	50	20	HJGD	
Cc1noc(Cl)c1CCC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014664	SCLICWBWYSMRIZ-UHFFFAOYSA-N	415.721	4.750	50	20	HJGD	
Cc1nc(N)sc1C(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C	874109107	JCMPLTUJOWIWSJ-UHFFFAOYSA-N	422.341	4.512	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3ccc(Cl)nc3)s2)cc1	915973168	GPVHSXAGIFEZAP-UHFFFAOYSA-N	406.298	4.661	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1C	916389739	ORFWKERNRYPXDG-XAEQJIKFSA-N	419.447	4.639	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2cccc(Cl)c2Cl)cc1Br	916661208	CESPCEMURTWUMY-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccccc2N(C)c2ccccc2)c1C	919743975	CXQHUUFLUVPQBF-UHFFFAOYSA-N	404.539	4.703	50	20	HJGD	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)c1c[nH]c2cc(F)ccc12	920833259	FBIRYUPVTBJCKG-VZUCSPMQSA-N	401.300	4.606	50	20	HJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1	921259406	QNILMYJQNLCBNC-CXUHLZMHSA-N	401.793	4.619	50	20	HJGD	
Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)cc1	1791342124	DLOAYFKAAAHWMW-FQEVSTJZSA-N	402.897	4.596	50	20	HJGD	
C=CCC(=O)Nc1ccc(C2(NC(=O)/C(C#N)=C/c3ccc(F)cc3F)CCC2)cc1	1791589280	SBUGMQQXAPTIID-GHRIWEEISA-N	421.447	4.582	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)[nH]n1	1815322492	RSHWDNSBZJBWEU-QAPCUYQASA-N	420.916	4.571	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)Cl)n[nH]1	1818043309	GXOKVKLKWFVHAE-MAUKXSAKSA-N	414.953	4.933	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1	1829009438	NKUYBEKAVQUSQF-IFTVWREOSA-N	420.981	4.628	50	20	HJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1)O[C@@H](C)C2	23100890	PFAWDNVGNDGEDT-QNKXHIPISA-N	402.372	4.583	50	20	HJGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	23218550	HMMAZNHYFWVQSD-FMIVXFBMSA-N	419.231	4.868	50	20	HJGD	
Cn1c(-c2ccccc2)c(C=NNC(=O)c2cc(Br)c[nH]2)c2ccccc21	725839545	SYIBTILMPXPYKI-UHFFFAOYSA-N	421.298	4.700	50	20	HJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNC(=S)Nc1ccccc1C(C)C	727174313	LGNIFZLEHWWNRK-UHFFFAOYSA-N	410.568	4.873	50	20	HJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNC(=S)Nc1ccccc1C(C)C	727174467	WTNXJLTZAXFZRE-UHFFFAOYSA-N	404.539	4.812	50	20	HJGD	
N#C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(OC(F)(F)F)cc1	731197023	LNQHOPNTLGTVRI-HUUCEWRRSA-N	404.479	4.980	50	20	HJGD	
N#C/C(=C\c1ncc(-c2cccc(Br)c2)[nH]1)C(=O)Nc1ccccc1F	731939148	UZUNOMKDORXZEX-UKTHLTGXSA-N	411.234	4.524	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3C)o2)cc1OC	734306028	JSURZJDTDJDTDY-RVDMUPIBSA-N	406.413	4.957	50	20	HJGD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	737543073	QTLAEVMNSSEYEV-SNVBAGLBSA-N	419.230	4.652	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccncc1	741587655	WSPHBYPEIOZVIW-YSSBIZNGSA-N	402.473	4.803	50	20	HJGD	
CCOc1cccc([C@@H](C)NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1	743568437	HBYFETBOGSXXKQ-QGZVFWFLSA-N	418.497	4.849	50	20	HJGD	
COc1c(C)cnc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1C	747675740	VFLPXZVZIALEBS-CIAFOILYSA-N	420.557	4.854	50	20	HJGD	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1ccc(C#N)cc1	748117943	UQRNECCRVSKNFT-ZDUSSCGKSA-N	412.902	4.632	50	20	HJGD	
CN(Cc1ccccc1)Cc1cccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1	751334288	ADFBECBGRKACNF-UHFFFAOYSA-N	424.888	4.637	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	752618393	SUYZDPQRLBFHOO-JGWKKKPCSA-N	409.408	4.614	50	20	HJGD	
CCN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H](C)CS(C)(=O)=O	752983447	YDMIWMONNIZZKG-JTQLQIEISA-N	410.430	4.631	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3cccc([N+](=O)[O-])c3C)cc2)cc1	760759224	CLGTTYZOBLMICM-UHFFFAOYSA-N	405.410	4.655	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1C	760835936	CIIMLMIATUEMEK-KRWDZBQOSA-N	403.530	4.601	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(Br)ccc1Cl	761591639	UVLZSWAIFXQQIH-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1	765142692	JHRQCIONSCJWLU-IQGJIOQQSA-N	422.872	4.573	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1	777464207	QKGFQKRWXQWOCK-ZDLGFXPLSA-N	410.399	4.804	50	20	HJGD	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CC=C(C#N)CC3)c12	780687150	WBRORCVPOBSNFO-UHFFFAOYSA-N	412.371	4.513	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCCN(C(=O)C2CC2)CC1	782070877	DQLFUSANYOZOQO-UHFFFAOYSA-N	413.412	4.820	50	20	HJGD	
CC(C)c1ccc(C(=O)NNc2c(F)cc(F)cc2Br)cc1[N+](=O)[O-]	784120435	VYPVUQQWZXMHQM-UHFFFAOYSA-N	414.206	4.516	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNc2ccc(Cl)c(F)c2)c(C)c1	785180198	LMMSALRUJKCZMK-LBPRGKRZSA-N	409.914	4.760	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccnc(Oc2ccc(F)cc2F)c1	789994419	TWMGROMXUJBDIR-UHFFFAOYSA-N	409.314	4.928	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)NC2CC2)cc1	790214203	IDJRDEVEADPCAL-LLVKDONJSA-N	422.316	4.665	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc(C(C)(C)C)nc2)c(C)n1C[C@H]1CCCO1	797303365	QUJAUVVMBLZCKT-BYUJNSPJSA-N	421.541	4.627	50	20	HJGD	
O=C(NNC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)Nc1ccc(Cl)cc1	802021520	RGQIRIVEFJVPHT-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
Cc1ccc(Cn2cc(C(=O)NNc3cccc(F)n3)c(-c3ccc(C)cc3)n2)cc1	804766211	BCKLAQHIPFQFPL-UHFFFAOYSA-N	415.472	4.506	50	20	HJGD	
CCC[C@]1(CO)CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	808813123	BYOXRDOVNKNLDI-HOCLYGCPSA-N	410.889	4.922	50	20	HJGD	
CC1(C)CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1[C@H]1CCCO1	809854501	WLTGDEVEURJRMS-ZIAGYGMSSA-N	421.453	4.922	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNc2c(C)cccc2C(C)C)c1C	812766172	JUPAEDRIIDHBAN-IUOVYFEOSA-N	408.546	4.794	50	20	HJGD	
O=C(CCCOc1cccc(Cl)c1Cl)NNc1cc(C(F)(F)F)ccn1	857514296	YLDOJBRDYHJZMG-UHFFFAOYSA-N	408.207	4.710	50	20	HJGD	
CCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	914504567	JXDYICIZQCEFED-JXCKLXDISA-N	405.542	4.548	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)c1cccc(C)c1C	914528898	HITBAZRMSGDDGW-CLMUKVTESA-N	405.542	4.861	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1	915982597	NQBNAFGQESZPHL-LUJRCDHRSA-N	410.399	4.675	50	20	HJGD	
CCCOc1cccc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1	917531682	AOZCZUBKFCZNNW-UHFFFAOYSA-N	410.477	4.850	50	20	HJGD	
CCCNC(=O)c1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	918043657	CKZCFRGCANEQDU-UHFFFAOYSA-N	402.498	4.570	50	20	HJGD	
O=P(CCN1CCC(Nc2ccccc2)CC1)(c1ccccc1)c1ccccc1	1116343051	YOOACUHXBSSGHT-UHFFFAOYSA-N	404.494	4.577	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Br)c1)c1nc(N)c2ccccc2n1	1320480075	LKVUBRDFFXNOEI-YRNVUSSQSA-N	417.213	4.640	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1	1786443070	VPQOJDUXSICWCW-WMLDXEAASA-N	412.908	4.963	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(F)c3)CCC2)cc1	1790486127	SZHLWBGOCZUGLV-QGZVFWFLSA-N	420.887	4.659	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1	1818453383	NTKNYURSLOWDOM-ICSRJNTNSA-N	424.932	4.886	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(C)c2C)CC1	1826183317	HUGFQGCKZNHDRG-OALUTQOASA-N	411.011	4.616	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)C(=O)Nc1ccc(F)c(Cl)c1	11293421	VYUWGGWJBJTMDB-IZZDOVSWSA-N	411.742	4.526	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1	214868056	FHOLCFGGLKOBAC-SLVCOGOPSA-N	417.292	4.629	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)c3nc(C)cs3)cc2OC)cc1	215886496	YQVKXMIUAJWXNP-GRSHGNNSSA-N	420.490	4.890	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	727496904	AOTKFCWYWFDNQS-CYBMUJFWSA-N	423.991	4.626	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1	732614157	NUTHKJAZPBTONH-SFHVURJKSA-N	421.609	4.873	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1OCc1ccccc1	732715101	KJCCCPFRGVXTCK-QNGOZBTKSA-N	404.510	4.972	50	20	HJGD	
O=C(NNc1cnccn1)c1oc2ccccc2c1CSc1ccccc1Cl	734242652	RKGDZTQBRORMFE-UHFFFAOYSA-N	410.886	4.925	50	20	HJGD	
COc1cccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1OC	742004840	CWFLEKHBVCNAJS-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(Br)cc2)c1	743299370	NNZCBIRPGGSISX-UHFFFAOYSA-N	424.726	4.844	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c3c(nn2C)CCC3)c(C)n1-c1cccc(Cl)c1	743838083	HUCILOBUJCWMFE-GZTJUZNOSA-N	419.916	4.515	50	20	HJGD	
CSc1cccc([C@H](NC(=O)NNc2cccc(C#N)c2)c2ccc(F)c(F)c2)c1	745903143	DKQZVKSRBYSEFL-NRFANRHFSA-N	424.476	4.974	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C)C1CCOCC1	746410051	MTPIUUKIDSKNOA-WLGHQHAYSA-N	405.542	4.631	50	20	HJGD	
N#Cc1ccc(NNC(=O)CCC(=O)c2ccc3ccccc3c2)cc1C(F)(F)F	746897333	UPRRKFJKMBVQAR-UHFFFAOYSA-N	411.383	4.836	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc2cccnc12	747362065	KWLLFFAAFPKJIR-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NNc1cccc([N+](=O)[O-])c1	748005901	IBPNMDUVJBKHFL-UHFFFAOYSA-N	423.281	4.711	50	20	HJGD	
O=C(CCc1nc2cc(Cl)ccc2s1)NNc1ccccc1Br	748066542	UKCHTKHVSYIYRX-UHFFFAOYSA-N	410.724	4.788	50	20	HJGD	
COc1ccccc1/C=C(\C(=O)NNc1cccc([N+](=O)[O-])c1C)c1ccccc1	748665643	ANTZDPMNNYVRFF-CYVLTUHYSA-N	403.438	4.596	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1	748716626	NUGNSJHBJSHEET-UHFFFAOYSA-N	409.829	4.545	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)C)cc(Br)c1OC(F)F	750900946	SBXKHJGIQHPZMV-IZZDOVSWSA-N	402.235	4.971	50	20	HJGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	751516338	NCGNHJRBCNJEIF-HXUWFJFHSA-N	402.494	4.951	50	20	HJGD	
CCc1nc2ccc(C(=O)NNc3cc(C(F)(F)F)ccc3F)cc2nc1CC	754154297	XNKNPXQNCDTALG-UHFFFAOYSA-N	406.383	4.669	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3n2C2CC2)c1C	755152264	RPRYXHRPQBESDL-BKAYVGFPSA-N	417.513	4.543	50	20	HJGD	
CN(C(=O)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1)c1ccccc1	756908756	KZAZOKOKGWFNFR-UHFFFAOYSA-N	413.399	4.739	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cccnc1SC(F)(F)F	768011784	FXLCPZBOLLZIRP-UHFFFAOYSA-N	400.184	4.896	50	20	HJGD	
C[C@@H](CNC(=O)NNc1c(Cl)cc(F)cc1Cl)c1nc(-c2ccccc2)no1	768100981	BGXOPYPATUHTGH-JTQLQIEISA-N	424.263	4.612	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccnc1Oc1ccc(Cl)cc1Cl	768243756	XIURIHJFBWVQHN-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
CCC(CC)n1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)n1	770955441	MTTZIXHQICSZMG-UHFFFAOYSA-N	419.245	4.782	50	20	HJGD	
C[C@@]1(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCS1	773405738	XQVXNDMERCKTTM-AWEZNQCLSA-N	404.426	4.684	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cccnc1SCc1ccc(F)cc1	777461833	YRGBMGUJTCOMSR-UHFFFAOYSA-N	404.470	4.818	50	20	HJGD	
C[C@@]1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO[C@@H]1C1CC1	778071679	IFDBSTWHRZDFSJ-CABCVRRESA-N	421.453	4.828	50	20	HJGD	
O=C(CSCc1coc(-c2ccccc2)n1)NNc1ccccc1OC(F)(F)F	779201856	YWCBWWHCNNVMQZ-UHFFFAOYSA-N	423.416	4.617	50	20	HJGD	
O=C(/C=C/c1cccc(O)c1)NNc1c(Cl)cc(Br)cc1Cl	780811097	RCFBZKZQYSILRW-SNAWJCMRSA-N	402.075	4.618	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@H](N2CCCCC2)C1	782981488	AIVUUVNEDRNISP-CYBMUJFWSA-N	420.469	4.593	50	20	HJGD	
COc1cccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1O	782982691	ZHCDHZMNGYFFKE-UHFFFAOYSA-N	419.393	4.537	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc3ccc(OC)cc3c2)c1C	790240007	RKZBANLDOIAOLB-FIJRTHIRSA-N	418.493	4.987	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccn3)c2Cl)c(C)c1	794689414	BLMNOJBRJGBAHX-GZTJUZNOSA-N	405.889	4.700	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc(Br)c1O	794886052	XZQYCBUYQWWJNR-LZYBPNLTSA-N	423.266	4.891	50	20	HJGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)CSc1nc(C)cc(C)n1	799467900	ZRVYCTWABODEFD-UHFFFAOYSA-N	409.559	4.527	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1C1CC1	802037184	WHMRLWVEXHRGAH-UHFFFAOYSA-N	417.513	4.550	50	20	HJGD	
Cc1ccc2[nH]c(C(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)cc2c1	804209734	LJHXKKCGLRTXIX-UHFFFAOYSA-N	411.387	4.709	50	20	HJGD	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NNc1cccc(C(F)(F)F)c1	811884051	YCNMYIXMCOSYPK-UHFFFAOYSA-N	409.389	4.678	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)n1	837301634	BLCVVNSECDNONV-UHFFFAOYSA-N	404.514	4.727	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc(C(C)(C)C)no2)c(C)n1C1CCCCC1	906842024	ADMXPUXEAFCALE-PDGQHHTCSA-N	410.518	4.941	50	20	HJGD	
C=CCN(Cc1ccccc1F)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	918171230	VIJPGOZIEAHZFS-FPJJECCMSA-N	409.505	4.573	50	20	HJGD	
Cc1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)c(C)o1	1786011412	NMFNRXSCMIAMEA-UHFFFAOYSA-N	402.922	4.909	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCC(F)(F)F)CCC2)cc1	1786444244	RGWNVZQCKQDMCO-HNNXBMFYSA-N	404.860	4.871	50	20	HJGD	
Cc1ccsc1C(=O)NC1(c2ccc(NC(=O)[C@H](C)Br)cc2)CCC1	1791433242	QRWWWWCZQXKNMW-ZDUSSCGKSA-N	421.360	4.588	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)CC1	1830302525	BXQUDDDSHIFIKT-MOPGFXCFSA-N	422.013	4.563	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1Cl	14123577	NPNQKZAHSJYUMV-GIJQJNRQSA-N	412.921	4.918	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-n3cccc3)c2)c1C	726934111	DIEWUICQCAVJCE-LZAZYHHXSA-N	402.498	4.649	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1)c1ccccc1Cl	727494628	OGGJPPRDFZWONO-OWBHPGMISA-N	403.935	4.548	50	20	HJGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1csc(-c2csc(C)n2)c1	729144054	QNYKHHPBCBJIAI-LBPRGKRZSA-N	403.504	4.627	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)NCc1ccccc1Cl	729306996	HRZWVCTYDYDABF-HIFRSBDPSA-N	401.981	4.602	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1C	729539295	FQXLDFUULQMPCH-ALFKQNEGSA-N	421.541	4.999	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2)oc1C(=O)O	729937217	OHWMUCISLICJAJ-BOPFTXTBSA-N	404.378	4.838	50	20	HJGD	
CCO[C@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccccc1	731477898	RENGGJXGHVQTJL-HNNXBMFYSA-N	417.225	4.689	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCS[C@@H](c3ccccc3)C2)c1C	735454998	ZYDHAPYWNBAHRR-DQHOQNCISA-N	423.582	4.536	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c1	738555992	OLSGOHXEQKGXKQ-AWEZNQCLSA-N	409.477	4.519	50	20	HJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)cc1F	739425027	AXHIXHXGNCKQLP-PTNGSMBKSA-N	423.879	4.814	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cc(Br)ccc3OC(F)F)nc12	741474272	WUMYNTLFUZNARI-IZZDOVSWSA-N	405.202	4.694	50	20	HJGD	
COc1c(C(=O)NNc2ccccc2C(F)(F)F)sc(C)c1Br	742516829	MRMIECLXCHRLSI-UHFFFAOYSA-N	409.227	4.603	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F	746697450	ULMVTIPGYYZYCN-UHFFFAOYSA-N	416.737	4.580	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccccc3F)c3cnn(C(C)C)c3n2)cc1	748055851	SDRKEJJQWLWWTB-UHFFFAOYSA-N	403.461	4.884	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNc1ccc([N+](=O)[O-])cc1Cl	748710873	IPEVMUMGZBWFBW-UHFFFAOYSA-N	404.879	4.714	50	20	HJGD	
COC(=O)c1cc2c(/C=C(\C#N)C(=O)c3c[nH]c4cc(F)ccc34)ccc(OC)c2o1	748997947	MEMKHGIGDDBGQJ-NTUHNPAUSA-N	418.380	4.638	50	20	HJGD	
Cc1cc(NNC(=O)c2ccccc2NCc2cccnc2)ccc1Br	751390029	AQGNFPCKOPPKGF-UHFFFAOYSA-N	411.303	4.522	50	20	HJGD	
CC(C)(C)Cc1nc(-c2ccc(C(=O)NNc3ccc(C#N)c(Cl)c3)cc2)no1	753298209	RVQDLWMMFRMXNS-UHFFFAOYSA-N	409.877	4.607	50	20	HJGD	
CCn1nc(C)c(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1C	755512453	LZNVOMGPEIORBL-UHFFFAOYSA-N	410.905	4.516	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cnc1O	757578499	QSYMBSWKQDQQCP-MFOYZWKCSA-N	406.873	4.702	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)Nc1cccc(-c2ncco2)c1	757769839	FAJVKCNPBVCPRV-UHFFFAOYSA-N	410.499	4.529	50	20	HJGD	
CC(C)(C)OC1CC(CCNC(=O)NNc2nc(Cl)c(Cl)cc2Cl)C1	764505823	HQLXDDMUQUSKTD-UHFFFAOYSA-N	409.745	4.652	50	20	HJGD	
CC(CC1CC1)=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1	764760859	FIJDZLNODAUSCX-UHFFFAOYSA-N	406.602	4.523	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1	769978434	VYCZCACILGTRNW-ZDUSSCGKSA-N	418.906	4.656	50	20	HJGD	
CCCN(C(=O)c1cccs1)C1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1	770252200	NQQUUURJCGCIJB-AWQFTUOYSA-N	424.526	4.538	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1OCC#N	773145712	SUQVWIZNQMCOGL-ZSOIEALJSA-N	404.319	4.545	50	20	HJGD	
Cc1cccn2cc(COc3ccccc3C(=O)NNc3ccc4ccccc4n3)nc12	777464873	KFXZEUUDSCLQEB-UHFFFAOYSA-N	423.476	4.527	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cnn(Cc4ccc(C(F)(F)F)cc4)c3)nc12	777468000	RSQPKKVKXDHVPK-LZYBPNLTSA-N	408.387	4.594	50	20	HJGD	
CCCc1noc2nc(C3CC3)cc(C(=O)NNc3ccccc3OC(F)(F)F)c12	779207298	PFNGAAPSIFXMBF-UHFFFAOYSA-N	420.391	4.708	50	20	HJGD	
N#C/C(=C/c1cccn1Cc1ccccc1C#N)C(=O)c1ccccc1OC(F)F	782196540	BQBVTKHQWPDFTB-PDGQHHTCSA-N	403.388	4.799	50	20	HJGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)Cc1nc(-c2ccccc2)cs1	785452704	HQPHDCNNFXDHNG-UHFFFAOYSA-N	403.429	4.830	50	20	HJGD	
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	787209447	BXZGCPUDYRQBJT-FTAOIEMSSA-N	416.452	4.547	50	20	HJGD	
CC(C)c1c(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cnn1-c1ccccc1Cl	787577145	KPSFDTXYGYPLCZ-LFIBNONCSA-N	406.873	4.900	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1	788183853	DHKFRBCUMFVIKJ-UHFFFAOYSA-N	401.463	4.502	50	20	HJGD	
N#C/C(=C/c1cc(Br)c(Cl)s1)C(=O)NCc1ccc(F)c(F)c1	790100608	PWPNKLPYQFBGHK-WTKPLQERSA-N	417.662	4.666	50	20	HJGD	
C[C@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C[C@H](C2CC2)O1	795208282	HGIZGEDGGSFPSW-IINYFYTJSA-N	407.426	4.532	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3c(-c4cccc(Cl)c4)noc3C)c(C)cc2c1	795240765	GKELUNWBRIZNAO-UHFFFAOYSA-N	422.872	4.926	50	20	HJGD	
C=C(CBr)COC(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C	795583396	PUXZUZFSOZBQMS-UHFFFAOYSA-N	404.182	4.777	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)[C@H]1CCCc2sccc21	804208943	FPDNPXDAXHVTKP-HNNXBMFYSA-N	418.444	4.787	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1sccc1Cl	806376675	YWNVISKNXPYQAK-UHFFFAOYSA-N	414.261	4.705	50	20	HJGD	
CC[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H](C)S1(=O)=O	806402528	WJAJJTWOEHOXHO-CMPLNLGQSA-N	422.441	4.773	50	20	HJGD	
CSSCCNC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1	806870133	NSSDOJZUHOKOPR-UHFFFAOYSA-N	417.478	4.703	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1cccc(Br)c1	812538602	SXVMAKYHZJOQAI-NSHDSACASA-N	417.225	4.637	50	20	HJGD	
O=C(NNC(=O)c1ccccc1CCC(F)(F)F)c1cc2c(s1)CCCCC2	857432754	LYILLDLFALDZIG-UHFFFAOYSA-N	410.461	4.587	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2OC(F)F)c1C	914506611	CPLRPKGRGOQEEQ-BRFSQIRFSA-N	401.457	4.901	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1	915065628	CLBNRKGLFNFNOW-UHFFFAOYSA-N	417.435	4.783	50	20	HJGD	
CCCCCn1nc(C(=O)NN=Cc2ccc3ccccc3c2)c2ccccc2c1=O	916325696	CSJMIIASLBRVLP-UHFFFAOYSA-N	412.493	4.504	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2OC2CCCC2)c1C	916490455	GRJPXXIDMLJTCG-HKWRFOASSA-N	407.514	4.618	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1	916605979	YQBYKIHIVHQODB-UOIFGXKSSA-N	416.477	4.776	50	20	HJGD	
O=C(NN=Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc2ccccc2c1	917544753	GBJFNDQNXWLISL-UHFFFAOYSA-N	408.383	4.808	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccc(-n2cccn2)nc1	918559383	PVBGQEQCLLPKSU-MRXNPFEDSA-N	412.824	4.739	50	20	HJGD	
Cc1cc(O[C@@H](C)C(=O)NNC(=S)Nc2cccc(Cl)c2)ccc1C(C)C	918679905	QIRVRWYGEZDQDN-AWEZNQCLSA-N	405.951	4.557	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2cc(F)ccc2F)c1C	918817695	IQAKHHANIGGTMJ-FCVHUYCESA-N	402.441	4.802	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)n1	920388301	VMZCPDBEBWKFLM-WQRHYEAKSA-N	420.490	4.972	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(-n3ccnc3)cc2)c(C)n1CCC(C)C	921146915	NETIKFODLWERCK-OEAKJJBVSA-N	415.541	4.560	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CC2c3ccccc3Oc3ccccc32)c1	1332526140	DYSKUBMMGYJEIF-UHFFFAOYSA-N	421.497	4.780	50	20	HJGD	
Cc1csc(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)c1	1786488676	PGCYCAPGLFWXEZ-UHFFFAOYSA-N	416.619	4.656	50	20	HJGD	
O=C(c1ccccc1C1CC1)N1CCC([C@H]2CCCCN2C(=O)C(Cl)Cl)CC1	1831881704	CXOPEMSCSVFNMH-LJQANCHMSA-N	423.384	4.601	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	6210214	GNANTDUHFRPZPB-SAPNQHFASA-N	416.550	4.918	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)N(Cc2ccccc2)c2ccccc2)cc1	11388000	MNUWKIHRWSJKKU-XQNSMLJCSA-N	410.473	4.679	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc(-c2ccc(F)cc2)n1C	727173978	BFKUZCZGEOIPKP-UHFFFAOYSA-N	410.518	4.586	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC(C2OCCO2)CC1	729552061	APQGDTHUZWTVPN-HNNXBMFYSA-N	424.872	4.523	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cnn(C(C)C)c2)c1C	732748890	QOIFLVFQSMMYNC-VVJWVBNBSA-N	415.541	4.964	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	734553257	GYHRGMDLWOUIMV-KRWDZBQOSA-N	423.435	4.593	50	20	HJGD	
CCc1ccc(COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1	735333075	PVUGAQDBQWLBJL-JCMHNJIXSA-N	410.477	4.677	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3c(F)cccc3F)c3ccccc3n2)cc1	735698548	PSFZQXDGKZDYNN-UHFFFAOYSA-N	405.404	4.946	50	20	HJGD	
O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)NNc1c(F)cccc1F	735754557	SRSOFXKRKYRIBV-QGZVFWFLSA-N	406.436	4.904	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccccc2C(F)(F)F)c(O)c1	740922852	ZYQQATXAVWLSGF-UHFFFAOYSA-N	411.380	4.515	50	20	HJGD	
CC(C)OC(=O)[C@H](C)CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	743084203	JNHPJDXRHTWLOD-YGRLFVJLSA-N	412.861	4.615	50	20	HJGD	
CCN(C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@@H](C)C(C)C	743413674	KQJOPKJXJGWYMY-ZBEGNZNMSA-N	410.889	4.737	50	20	HJGD	
COc1cc(C(=O)NN=C[C@H](C)c2cccc(Br)c2)ccc1OC(C)C	747629392	CMFJGEXCALCZMP-AWEZNQCLSA-N	419.319	4.764	50	20	HJGD	
CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2F)ccc1OCC(F)(F)F	747646909	UBLUTEQWEFOZMS-UHFFFAOYSA-N	418.774	4.583	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1	747831564	TYUXPACPEAKPMY-UHFFFAOYSA-N	417.416	4.773	50	20	HJGD	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NNc1ccc(OC(F)F)cc1	748650757	RYVLKCIEFAMXIC-UHFFFAOYSA-N	413.424	4.793	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1	751946348	YQQZBJGWRLOFOD-RNYZQXAPSA-N	405.256	4.640	50	20	HJGD	
N#C/C(=C/c1cc(F)ccc1Br)C(=O)Nc1ccccc1Br	761176303	MHYXEWRCSQHTPC-XFFZJAGNSA-N	424.067	4.896	50	20	HJGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	765485263	LXFMMMTZOLYETN-UHFFFAOYSA-N	423.476	4.586	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2	769619734	MTWFXNLECZZJGT-UHFFFAOYSA-N	418.497	4.551	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)nc2Br)c1C	771450163	DJNMVPXDADZRSM-YBEGLDIGSA-N	401.308	4.527	50	20	HJGD	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCCC[C@H]1CCSS1	772196390	SPVUGUUBXFLBPI-OAGGEKHMSA-N	402.626	4.605	50	20	HJGD	
Cc1cc(NNC(=O)c2csc(Br)c2C)ccc1Br	773459646	TZRJFBZICOVDML-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
C[C@@H](Oc1ccccc1NC(=O)C(=O)NNc1cccc(Cl)c1)c1ccccc1	773745227	YZZYPCKPTXFOHX-OAHLLOKOSA-N	409.873	4.562	50	20	HJGD	
CCn1ncc2c(C(=O)NNc3nc4ccccc4cc3C)cc(-c3ccccc3)nc21	777478077	NRFNXINDEIKTMP-UHFFFAOYSA-N	422.492	4.732	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(NC(=O)C2CCCCC2)c1	777481507	JQHGWWCEOVYGOL-UHFFFAOYSA-N	402.498	4.819	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccc(OCc2ccc(F)cc2)cc1	787313422	COEFMXQGFWLGIL-AQRZYSDFSA-N	416.452	4.895	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(Cl)ccc(F)c2C)c1C	791040288	BNADQNPOPWPMNE-LFMVTYOGSA-N	403.885	4.959	50	20	HJGD	
C=C(CBr)CN[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1	791490464	QQDGWESAZLHIGB-HNNXBMFYSA-N	405.311	4.609	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)c1cc(F)cc(F)c1	794690796	KKEUCFLBPULRQP-RZNTYIFUSA-N	403.310	4.959	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ncc(C=NNC(=O)c2ccc(Cl)cc2Cl)s1	799872483	SLSDPNLIOFXKHK-UHFFFAOYSA-N	415.302	4.561	50	20	HJGD	
CC(C)c1nc(C(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cs1	802069429	IQIYKHNGDFYPDE-UHFFFAOYSA-N	407.710	4.693	50	20	HJGD	
CC(C)[C@@H](C(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1cccnc1	802071119	QMQJYLDDBQNESM-CQSZACIVSA-N	415.708	4.634	50	20	HJGD	
O=C(NN=Cc1sc(Sc2ccccc2)nc1Cl)c1cccc([N+](=O)[O-])c1	814684577	ZTQDZHJDGIGOFB-UHFFFAOYSA-N	418.887	4.620	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)[C@H]1OCCc2sccc21	816596073	NJTKPSMWMXDQMZ-QVKFZJNVSA-N	421.522	4.518	50	20	HJGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)c3ccc(-n4c(C)ccc4C)cc3)sc2n1	873910303	HTEOYKLBWYKVBR-UHFFFAOYSA-N	417.538	4.788	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3c(C)nc4ccccn34)s2)cc1	915930251	WGXNDDATGAUPJV-UHFFFAOYSA-N	424.917	4.569	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cc(Cl)c3c(c2)OCO3)c(C)n1CC(F)(F)F	917096394	OHTRDSZHALIQSD-PQMHYQBVSA-N	410.779	4.839	50	20	HJGD	
CC(C)CC[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1	918230635	LTAFOPWDCLISPK-IBGZPJMESA-N	412.921	4.943	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCCc1cc(Br)ccc1F	920887070	ZMPXZRBLNXKESU-CQSZACIVSA-N	406.386	4.961	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CCC1	1785755471	DEDYMJUQCIRWKE-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](F)Cl)CCC4)cc3)ccc2[nH]1	1790988290	BQZLBHLIWMVWMG-LJQANCHMSA-N	413.880	4.758	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccsc2)n[nH]1	1817518889	OWLUSORGSJQXTF-DOTOQJQBSA-N	422.982	4.504	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2C)CC1	1829950152	PXYQGPBPGUHUPY-SFTDATJTSA-N	404.982	4.554	50	20	HJGD	
CCCCOc1cc(/C=C(\C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OC	7001320	YYSLRQQZJKNWEX-MHWRWJLKSA-N	409.511	4.853	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)c1cccc2ccccc12)c1ccc(C(F)(F)F)cc1	303846991	JJYKNNBHKUPZIL-CQSZACIVSA-N	400.400	4.813	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	728080280	MKYHUADYVZYLPQ-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@H](c1ccc(Cl)cc1)C1CCCC1	729616114	OSJIKYBFQCLDOY-FQEVSTJZSA-N	410.905	4.697	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3C(=O)O)c2)c1	731562844	HSBMTFMXOMZZCI-MOSHPQCFSA-N	412.445	4.818	50	20	HJGD	
CSc1ccc(-c2csc(NC(=O)c3c(C)nn(CCCl)c3C)n2)cc1	733874343	RBDRFLIXVQVLEO-UHFFFAOYSA-N	406.964	4.836	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1cccnc1Nc1cccc(C(F)(F)F)c1	734247776	XWYORDDKYRRMIG-UHFFFAOYSA-N	407.783	4.649	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1	740167677	KMWLOGYCCITFIO-UHFFFAOYSA-N	414.962	4.724	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F)c1ccccc1	741092462	CFANNEQRGNAVIT-REWPJTCUSA-N	419.500	4.634	50	20	HJGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1c(F)cc(F)cc1Br	741977778	SUJCGUWWDGHESR-NSHDSACASA-N	423.179	4.907	50	20	HJGD	
CC[C@H](C)C[C@@H](C)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	742720393	XCJNSMUIPFYWHB-WCAHNUQUSA-N	423.948	4.965	50	20	HJGD	
C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	743287200	WLADPAHMFYDZKD-GZMMTYOYSA-N	424.794	4.995	50	20	HJGD	
O=C(NNC(=O)N[C@@H]1CCCOc2ccccc21)Nc1ccc(-c2ccccc2)cc1	743579092	RKFRZOZMQAHLIS-OAQYLSRUSA-N	416.481	4.603	50	20	HJGD	
CCOc1cccc([C@H](C)NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1	745183622	WGWGSVQMGOQKGM-JTQLQIEISA-N	402.804	4.540	50	20	HJGD	
Cc1cccnc1CC(=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)C(F)(F)F	746370590	MKIMLJIXFUCQIV-OAHLLOKOSA-N	415.415	4.588	50	20	HJGD	
C/C(=C\C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1	748212029	COSLNUPXCFAPHL-CSKARUKUSA-N	417.214	4.877	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(F)F)c2ccccc2)c1C	749138719	XYUIIQRBSRLGLZ-YLRSXTQRSA-N	401.457	4.518	50	20	HJGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CCC[C@H]1c1nc2ccccc2s1	750855172	LIWIPBISCXQOIU-SFHVURJKSA-N	420.987	4.994	50	20	HJGD	
CCCCCC(C)(C)C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	753340915	IEOSFBVMVYXVIY-UHFFFAOYSA-N	403.548	4.537	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Br)cc1SC	755031805	JDMSHXBIHVUOQH-LCYFTJDESA-N	403.301	4.725	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@H](Sc1ccccc1Cl)c1ccccc1	759301464	QHFWSXDXCPHKNH-QGZVFWFLSA-N	414.874	4.620	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c(OC)c1	760809097	ZCQZRQSMCGRVTP-ZSOIEALJSA-N	415.287	4.629	50	20	HJGD	
COc1cc(C)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)cc1OC	765613125	HKJIKHIFWPJNJT-QPEQYQDCSA-N	403.232	4.747	50	20	HJGD	
CCCOc1ccc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	766261562	DKFFUPWZFKKSRE-UHFFFAOYSA-N	416.692	4.517	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	768169983	SIJCIMCTNALKGV-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
N#CCCCn1cc(C(=O)NNc2ccc(Br)c(F)c2)c2ccccc21	768216163	PRUDCUPXRZOSBM-UHFFFAOYSA-N	415.266	4.604	50	20	HJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)NNc1ccnc(Br)c1	771166377	TUZLSFBCWWECSF-UHFFFAOYSA-N	407.312	4.616	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(Br)c(F)c1)c1nc2ccccc2s1	771324643	OXZUHTGIJMTBIC-VIFPVBQESA-N	409.284	4.585	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccccc1COc1ccccc1	771691687	REVOHKFIDOJFJR-UHFFFAOYSA-N	415.262	4.924	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCOc2ccccc2C1	772947510	UMFWALVAGRFNCU-UHFFFAOYSA-N	422.375	4.704	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC(F)F	778517280	KLKZYZLTVGZJSO-ACAGNQJTSA-N	422.771	4.691	50	20	HJGD	
CN(C)C(=O)N1CCC(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	782115695	ONAKZKCINRJHGC-UHFFFAOYSA-N	401.401	4.676	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782488476	WAOZZIHBCUNXBD-OAHLLOKOSA-N	406.917	4.768	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C12CCC(CC1)C2	784931796	UMARTUQLTGDMEP-UHFFFAOYSA-N	405.410	4.729	50	20	HJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)C(=O)Nc1ccccc1Br	787169357	NTXFQTQWMWZNIJ-VIYDEIPASA-N	412.243	4.849	50	20	HJGD	
Cc1ccc(CN(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)nc1	788926971	VASKEYLPVNHMED-UHFFFAOYSA-N	402.410	4.868	50	20	HJGD	
COCCc1ccnc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1	804388151	MQFSOERXQMFJGU-RCCKNPSSSA-N	406.530	4.740	50	20	HJGD	
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	806183812	KTUCTJGAZNMSQR-INWMFGNUSA-N	421.916	4.996	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(Br)c(C)c1	806863609	MXADOIRJPMUZLK-UHFFFAOYSA-N	415.287	4.701	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(Cl)c2ccccc12	807114996	TUDBYRMBVQRWFO-CYBMUJFWSA-N	406.873	4.722	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)c2ccccc2n1	807539794	OUOPFBRFMLFNDK-HXUWFJFHSA-N	424.932	4.580	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F	811221058	ALPUBYBQUWZUTE-UHFFFAOYSA-N	400.225	4.639	50	20	HJGD	
COc1ccc(NNC(=O)c2sc(C)nc2-c2ccccc2)c(C(F)(F)F)c1	816702878	GCFFGXMXNGONCS-UHFFFAOYSA-N	407.417	4.903	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)NNc1cccc(Cl)n1	817006399	IGTRHJVDXZOATP-UHFFFAOYSA-N	412.877	4.992	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccccc2F)C(C)C)c(C)n1C[C@H]1CCCO1	914501671	LBTTVGTZEKKRRF-ZWULCIMOSA-N	423.532	4.767	50	20	HJGD	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)N1CCn2c1nc1ccccc12	915853388	FMDFIWWSHBUYEG-LTGZKZEYSA-N	420.472	4.569	50	20	HJGD	
Cn1cccc1C(=O)NN=Cc1c(Cl)cccc1OCc1ccccc1Cl	917541108	NZCPTXMCYGPNLX-UHFFFAOYSA-N	402.281	4.675	50	20	HJGD	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n2nc(C)cc2n1	917634861	FEIBNIVGHFPULE-MRXNPFEDSA-N	414.840	4.818	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)Cn2ccnc2)c(C)n1-c1cccc2ccccc12	919842304	CHWBTKYVKVKIMR-UEIZDATPSA-N	423.520	4.556	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1C	920006066	FSLAAROBGABZNH-CRYHJCRISA-N	405.542	4.630	50	20	HJGD	
O=C(NN=Cc1ccccc1OC1CCCC1)c1ccc(F)cc1Br	920373636	KTQROQMVCBNWSA-UHFFFAOYSA-N	405.267	4.674	50	20	HJGD	
Cc1cccc(Cl)c1C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1790682813	GJAFSIONVPJQQR-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2C)CC1	1832567232	YSUAOGQHVMZDMZ-VXKWHMMOSA-N	419.009	4.944	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccccc3)cc1)C2	1841671629	BICXPKGHSGKBMU-NRFANRHFSA-N	410.945	4.578	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)c2ccccc2F)cc1	11333781	KQZVXPTXSZEQPB-XSFVSMFZSA-N	415.420	4.981	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1	96663147	ZPZMJTIQDIMBBV-UYRXBGFRSA-N	402.425	4.959	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(CC)cc2)c1C	104579519	ZITCFSMMMMYBAK-SXZORUHJSA-N	407.514	4.555	50	20	HJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Br)c(OC)c(Br)c1	726429914	WMENXLANJJXVDJ-QQCYMQAYSA-N	401.098	4.742	50	20	HJGD	
C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc(CCCCl)cc1	726975745	BZPMAYBGOLSCKV-CQSZACIVSA-N	408.976	4.849	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@H](N2CCCC2)C1	727222305	BJTPDALQXDMTHC-WFASDCNBSA-N	407.889	4.608	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCCc3c(C)ccc(OC)c32)c1C	727667369	STAGTCRVJLYKFH-PKIWBCANSA-N	421.541	4.516	50	20	HJGD	
CCCCCC[C@H]1CCCC1=NNC(=O)c1ccc(CSc2nncn2C)cc1	728155124	CAKLBRSNPZMIKI-SFHVURJKSA-N	413.591	4.964	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC2(c3ccccc3Cl)CCOCC2)cc1	729982752	GYKJXSUJHMDSNH-CYVLTUHYSA-N	424.928	4.510	50	20	HJGD	
CN(C)c1cccc(C(=O)NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)c1	731150394	CTERLORQNFHGHY-UHFFFAOYSA-N	423.948	4.788	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cc2c(F)cccc2[nH]1	731479634	ZZTRPCWRMTVJED-UHFFFAOYSA-N	416.172	4.845	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(NC3CCCC3)c2)c1C	735517189	HJGYOJDFFGEMCS-XSFVSMFZSA-N	406.530	4.652	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743805767	PUTPXNCUIVCJNM-UHFFFAOYSA-N	409.486	4.828	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2ccc(OC)c(SC(F)(F)F)c2)cc1	744491709	VLBXVRPKMAWKKC-OQLLNIDSSA-N	423.412	4.966	50	20	HJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1	746340776	RNNLNXPINOXNIJ-RVDMUPIBSA-N	405.281	4.954	50	20	HJGD	
CN(Cc1ccccc1)Cc1cccc(C(=O)NNc2cccc(Br)c2)c1	748018297	ODMJYHZUJQAHHH-UHFFFAOYSA-N	424.342	4.838	50	20	HJGD	
O=C(/C=C\c1ccccc1OC(F)(F)F)NNc1cccc(Br)c1	748020924	ULFWILRVZWNHOL-HJWRWDBZSA-N	401.182	4.504	50	20	HJGD	
N#Cc1ccc(Oc2cccc(NC(=O)NNC(=O)c3cc4ccccc4o3)c2)cc1	756408595	QAQKPHUEUGKWSE-UHFFFAOYSA-N	412.405	4.563	50	20	HJGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	758417998	MEWZMMWBMIBWSZ-VBKFSLOCSA-N	423.925	4.937	50	20	HJGD	
O=C(NN=Cc1cc(Br)ccc1Cl)c1ccc(Br)s1	767763882	FPDFYKHNCGDHCH-UHFFFAOYSA-N	422.529	4.690	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	770032128	JWVNOQPDZQWQNC-NDEPHWFRSA-N	413.930	4.938	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	770760582	SPJVSBXXEOKOLB-ZDUSSCGKSA-N	421.345	4.549	50	20	HJGD	
CCO/C=C(/C#N)C(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1	771385085	QHHIMTXFPVYFEL-LJQBUTKESA-N	422.378	4.525	50	20	HJGD	
N#Cc1ccccc1Sc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cn1	775253953	FIIAVWGJGGSPDO-UHFFFAOYSA-N	414.412	4.880	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	775271379	IDHHJZDNENKDIL-DCYIXLHKSA-N	419.150	4.565	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(OC(F)F)cc(OC(F)F)c1	775650044	OJLSNYUGDBCCFH-UHFFFAOYSA-N	412.261	4.665	50	20	HJGD	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NNc1ccc2ccccc2n1	777459454	BDCDOOLYPVLKDB-UHFFFAOYSA-N	411.387	4.709	50	20	HJGD	
Cc1ccc(Cl)cc1NC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	778232273	HQXUUFCEKFGTNG-UHFFFAOYSA-N	422.798	4.668	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1c[nH]nc1-c1ccc(Cl)s1	779046273	SXQMLVKGMFOKFY-UHFFFAOYSA-N	405.669	4.994	50	20	HJGD	
CSc1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc1Cl	782821471	OCSBONGDHRZUBA-UHFFFAOYSA-N	411.914	4.870	50	20	HJGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F	784767220	KNPFQSJOGSUCPW-UHFFFAOYSA-N	415.371	4.580	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1C(F)(F)F	784880674	UZMRPIRAUQHPNZ-UHFFFAOYSA-N	424.181	4.542	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](CC)c2ccccc2)ccc1OC(F)F	787145728	SBXMCBQTMNLYSV-XCMFGDQWSA-N	400.425	4.861	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)c(C)cc2OC(F)F)cc1	787151449	MVLUTBHRVRPNDT-CLXYIWAZSA-N	400.425	4.698	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1c(Cl)nc(Cl)n1C)c1ccc(Cl)cc1Cl	787177496	KRDKSKDVGKTTRS-CPJBWDMUSA-N	418.111	4.818	50	20	HJGD	
COc1cc(NNC(=O)c2ccoc2CN2c3ccccc3C[C@H]2C)ccc1Cl	790168933	RGXSRQNHXHYYOQ-CQSZACIVSA-N	411.889	4.650	50	20	HJGD	
COc1cc(NNC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)ccc1Cl	790172014	OJDHEPKDIJETGB-UHFFFAOYSA-N	408.885	4.953	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3cc(Cl)cc(Cl)c3)c3c2CCC3)cc1	791734291	LSOPLUUZYUULIX-UHFFFAOYSA-N	401.297	4.733	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C	792347806	YBCNYVFCKOYKIV-UHFFFAOYSA-N	424.814	4.611	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(NC(=O)N(C)C)c2)c1C	794412819	MJHBBXGKSAEQFT-MOSHPQCFSA-N	421.545	4.853	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2OC2CCCC2)c1	798249339	INOBQDQAURSFJK-UHFFFAOYSA-N	416.909	4.512	50	20	HJGD	
COc1ccccc1Nc1ccccc1C(=O)NNc1ncccc1C(F)(F)F	800691938	JIFQWBBHRZIARI-UHFFFAOYSA-N	402.376	4.610	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c(C)n1-c1cccc(C(C)C)c1	803431725	FZCNNQGTODSWAU-UHFFFAOYSA-N	414.509	4.816	50	20	HJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1ccc(Br)cc1Cl	806787542	JMUFLXZIRRYCSR-GFCCVEGCSA-N	418.722	4.973	50	20	HJGD	
O=C(Nc1ccc(Oc2cccnc2)cc1)C(=O)NN(c1ccccc1)c1ccccc1	808936656	UJPPUSVKDSUXDF-UHFFFAOYSA-N	424.460	4.682	50	20	HJGD	
CC(C)(C(=O)NNc1c(F)cccc1F)c1csc(-c2cc(F)ccc2F)n1	810420490	IDDZPKJUWDYPCY-UHFFFAOYSA-N	409.408	4.787	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/C(C)=C/c2ccccc2OC(F)F)cc1	811687967	UKESFSRGZWFPSK-DMAJYYCCSA-N	411.408	4.738	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@@]2(CCCO2)[C@H]1C1CC1	815104514	MSRYEDFRRILAKD-CABCVRRESA-N	419.437	4.676	50	20	HJGD	
Cc1c(NNC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)cccc1[N+](=O)[O-]	815855361	OLVHDCKKKQJGEJ-UHFFFAOYSA-N	414.462	4.587	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2nccn2C)c(C)n1-c1cccc2ccccc12	843416837	YCESICBTNPJFND-JCMHNJIXSA-N	423.520	4.546	50	20	HJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)o1	915847673	LBJHRQSIUVSGFY-LGMDPLHJSA-N	400.434	4.896	50	20	HJGD	
COc1cc(C=NNC(=O)C(C)(C)C)cc(Br)c1OCc1ccccc1	915966704	OPCMTGWRZVGLEZ-UHFFFAOYSA-N	419.319	4.533	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NS(=O)(=O)c1cc(Cl)sc1Cl	916823364	KAEOGWFZBOIAAB-QMMMGPOBSA-N	420.430	4.574	50	20	HJGD	
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ccc(C)cc2)c1	919283980	JAYMIYMBAAGVIM-UHFFFAOYSA-N	412.493	4.672	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccc(F)cc1	1116553575	ZOVKTJIUNBNDDZ-DFBPDIJHSA-N	409.505	4.598	50	20	HJGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	1338909339	KMKSVNNDGXBMCY-UXIGCNINSA-N	409.905	4.900	50	20	HJGD	
Cc1cc(C)cc(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)c1	1790287186	ZJCRABFOEOUWJA-UHFFFAOYSA-N	424.617	4.903	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)s3)CCC2)cc1	1790487444	VUNURDRVWQSZHL-CYBMUJFWSA-N	412.342	4.562	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCC=C3F)cc2)CCC1	1792379182	GRJJMMZMVPXSAR-KKSFZXQISA-N	410.892	4.884	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc4occc4c3)CC2)C1	1806160094	SDCSIQXTPUMALP-IBGZPJMESA-N	416.949	4.685	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C)CC1	1829940674	RKTBSENPDQRJDP-SFTDATJTSA-N	404.982	4.636	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3ccccc3)c2)cc1	7211928	QNDYUYQYSVRELN-HMMYKYKNSA-N	411.461	4.726	50	20	HJGD	
COc1ccc(/C=C/C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1OC	15434654	TVRUHNSCGDYEEV-GQCTYLIASA-N	401.677	4.821	50	20	HJGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	208000799	FCHQAAKOGXSSBK-GGNJANJASA-N	407.278	4.623	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)c2c(C)nn(CCCl)c2C)ccc1OCCC(C)C	303509355	BXBBWHHSIBCPOC-OAHLLOKOSA-N	421.969	4.663	50	20	HJGD	
Cc1cccc(CC(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c1	726752983	VBNHHBROYFAFFR-UHFFFAOYSA-N	422.550	4.637	50	20	HJGD	
O=S(=O)(Oc1cccc(Oc2ccccn2)c1)c1ccc(CCCCl)cc1	728933854	MOOKPVOPZQUTPZ-UHFFFAOYSA-N	403.887	4.813	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1cccc2ncccc12	730147095	OEEXDBACNXDKHS-UHFFFAOYSA-N	416.868	4.626	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1	732133178	RSKCBBVALDVBJK-HNNXBMFYSA-N	405.479	4.511	50	20	HJGD	
N#C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccc(Cl)cc1	733081166	PTIOKLLQQKAWMP-MDWZMJQESA-N	410.842	4.917	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)c1C	733770929	LMIXARBCGZCOEJ-CLMUKVTESA-N	418.541	4.809	50	20	HJGD	
Cc1cccc(-n2ncc(C(=O)NNc3ccc(Br)cc3Cl)c2C)c1	733807153	SCAWOTFYGVVPNW-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1Cl	735510509	LZNLLYNQYIOEGM-GFCCVEGCSA-N	402.281	4.852	50	20	HJGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ncc(-c2ccccc2)o1	739978528	XCXQJXILTDBWLH-OAHLLOKOSA-N	404.919	4.553	50	20	HJGD	
O=C(NCC1CC1)NNC(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	741675491	IMEONDQHMYQHLU-UHFFFAOYSA-N	424.353	4.640	50	20	HJGD	
Cc1nc(-c2ccccc2)oc1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	741749438	ZSXUDRXJRBTZDM-UHFFFAOYSA-N	421.453	4.592	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	743817049	PUIDXIGSNDHZJG-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743826168	CJDPDVYCAOZTQF-QGZVFWFLSA-N	403.482	4.709	50	20	HJGD	
COc1ccc([C@H](NC(=O)NNc2ccccc2)c2ccccc2Cl)c(OC)c1	745915016	VHJNBSTXMTYWGW-OAQYLSRUSA-N	411.889	4.773	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2)c1C)C1CCOCC1	746409349	CGHMFNZGFUSPAJ-NLZIUFDSSA-N	405.542	4.631	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)COC3)c(C)n1CCC(C)C	746553837	FWPCRTBIFYEWJB-SSDVNMTOSA-N	420.509	4.514	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccccc3)on2)c1C	747987510	KSJPUDQWMWJOCU-MBTVCVBTSA-N	404.470	4.513	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(C(=O)NNc2cccc(Br)c2)ccc1F	748019370	CMAFNVZJJCZZFG-UHFFFAOYSA-N	424.270	4.692	50	20	HJGD	
Cc1nc(CCC(=O)NNc2ccc(OCC(F)(F)F)cc2)oc1-c1ccccc1	748694828	CAZOXAAUVYUGKL-UHFFFAOYSA-N	419.403	4.667	50	20	HJGD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748704270	GDYFCHOPKVRHNR-LBPRGKRZSA-N	420.353	4.968	50	20	HJGD	
O=C(NN=Cc1cc(Br)ccc1OC(F)F)c1cc2ccccc2o1	749823719	PKKFRRDMAFVNND-UHFFFAOYSA-N	409.186	4.561	50	20	HJGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	750798296	BPWPJIPAYQXQJD-YESZJQIVSA-N	416.653	4.852	50	20	HJGD	
CCSc1ccc(Cl)cc1C(=O)NNC(=O)CCSc1ccc(F)cc1	752400627	SGKFQWMHRDSDOL-UHFFFAOYSA-N	412.939	4.535	50	20	HJGD	
CC(C)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752985647	VQYPMDVANIPGJQ-ZDUSSCGKSA-N	401.401	4.722	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1F)c1cc(-c2ccncc2)nc2ccccc12	753693057	OBWQUMDDPCFEFC-UHFFFAOYSA-N	404.832	4.853	50	20	HJGD	
CSc1cc(Br)ccc1/C=C(/C#N)C(=O)N(CC(F)(F)F)C1CC1	755705598	PNSVVCNRHJGBKL-WDZFZDKYSA-N	419.266	4.631	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2nc(C(F)(F)F)cs2)cc1OCC	755859686	HKWIFMRLPJVLDW-UHFFFAOYSA-N	423.844	4.760	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccccc2SCc2ccco2)cc1C	761666643	ZOQBQNAVUQSHBN-UHFFFAOYSA-N	411.552	4.820	50	20	HJGD	
N#C/C(=C/c1ncccc1C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl	765500352	ILQIMKYIIHHBIX-YFHOEESVSA-N	407.200	4.746	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(O)(c3ccccc3)CC2)c(C)n1CCC(C)C	768584690	ZOFIMSWCOWZUHT-HAVVHWLPSA-N	419.569	4.568	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2coc(-c3ccccc3)n2)c1C	768747365	KYIZMSIOCRQTRJ-RYFGYPJOSA-N	419.481	4.618	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cnn2Cc2ccccc2F)c1C	769495868	VZFBARKLPKPAGA-CIAFOILYSA-N	419.504	4.753	50	20	HJGD	
Cc1cc(Cl)c(NC(=O)C(=O)NNc2c(Cl)cccc2Cl)cc1Cl	773691123	GBHSRDRKRNQIKX-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)cc1NC(=O)C(C)(C)C	775617328	LXXUQDDEUKCXOL-UHFFFAOYSA-N	409.412	4.542	50	20	HJGD	
O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777891630	YVLOTCBHAYQEGF-UHFFFAOYSA-N	418.365	4.731	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cccc(Br)c1Cl	780656076	FFYKROVXUNXEBS-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(F)c(Cl)c2)nn1)c1nc2ccccc2n1C(F)F	782887371	MNKVMGMTJUFBIN-YRNVUSSQSA-N	414.778	4.869	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2noc(-c3ccccc3)n2)c1C	784634578	IOVYWGUNYLZAQH-UOBPLZBXSA-N	404.470	4.776	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cccc(Oc2ccc(Cl)cc2)c1	788567303	HGZGIPFCWCSMDE-UHFFFAOYSA-N	423.885	4.803	50	20	HJGD	
COc1cc(NNC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)ccc1Cl	789099552	ITNBGVJGAZISDA-LJQANCHMSA-N	417.296	4.813	50	20	HJGD	
C[C@@H]1CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1	795071989	CFLSRQMWGGIRSN-DSSDFOLLSA-N	417.387	4.940	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	805386248	NJBWKVGMKSISFJ-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1c(F)cc(C(F)(F)F)cc1F	810681615	LAYJFMBIUMNYRN-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1	816629513	PKCCTOHFYCYULR-UHFFFAOYSA-N	416.692	4.736	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc(OC)cc2C(F)(F)F)cc1OCC	816703989	BXYRUYZSIBVEPU-UHFFFAOYSA-N	412.408	4.658	50	20	HJGD	
Cc1ccc(-n2c(N(C)C)nc(/C=C(\C#N)C(=O)Nc3ccccc3C)c2Cl)cc1	912858737	AAKBGHBJAHRPHI-GHRIWEEISA-N	419.916	4.754	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](c2ccsc2)N(C)C)c(C)n1C1CCCCC1	914505766	HBYKVPLSIHFZQY-VZIOXZNFSA-N	424.614	4.998	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(Oc3ccccc3)cc2)cc1	914886368	AKTCNNZPUVHGBW-HKWRFOASSA-N	413.429	4.821	50	20	HJGD	
COc1cccc(CO[C@H](C)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	915273308	BFTFRFJULQZDFT-SNVBAGLBSA-N	403.693	4.704	50	20	HJGD	
Cc1cc(C=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(C)n1Cc1ccco1	916336293	AXZQWAVUPKKGAE-IBGZPJMESA-N	415.493	4.817	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1	916646157	WBYFGMOYMPSNIE-UHFFFAOYSA-N	414.440	4.816	50	20	HJGD	
CN(CC1CCCCC1)C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918411978	XRAZOQMGHHUXGJ-QGZVFWFLSA-N	422.900	4.883	50	20	HJGD	
CCOC(=O)/C(C#N)=C/Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	920831925	JDSPLANWPZRDPC-NTCAYCPXSA-N	417.387	4.649	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)COc1ccc2ccccc2c1	921257854	WYQBQIXNXCZNJK-UHFFFAOYSA-N	403.265	4.684	50	20	HJGD	
O=P(CCN1Cc2ccccc2C2(CCC2)C1)(c1ccccc1)c1ccccc1	1321889620	FSYVDBKYGZKFOV-UHFFFAOYSA-N	401.490	4.938	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cc(F)ccc1Cl	1788588775	HMDWXGHTPLMGKQ-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3sc(C)nc3C)CCC2)cc1	1790485530	FDJXNDWTRIOKSY-MRXNPFEDSA-N	405.951	4.525	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(F)c3F)CCC2)cc1	1790488616	ZLYVXPYZCJSAFT-INIZCTEOSA-N	424.850	4.869	50	20	HJGD	
CC(C)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)cc1	1803824523	CSYFDMAFPDOOTN-KOUNCHBCSA-N	424.972	4.870	50	20	HJGD	
Cc1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c1	1824010066	FLEPUYKZCVLAQQ-KRWDZBQOSA-N	411.011	4.555	50	20	HJGD	
CCN(Cc1ccncc1)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	727376216	KJIZOBSXNZVOQA-STZFKDTASA-N	402.473	4.584	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cc(-c2ccccc2)nc2ccccc12	728080497	SIIDWOQKJIOULN-UHFFFAOYSA-N	407.433	4.709	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1OC	732714724	DGNCLSIJUGBGPC-QPEQYQDCSA-N	416.827	4.598	50	20	HJGD	
N#Cc1ccccc1OCc1cccc(C(=O)NNc2ccc(Br)cc2)c1	734178496	TYMRLQHNYRGTGJ-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(CN(C)C)cc2)c1C	738519077	CFOFQJLWKMFKTB-IWIPYMOSSA-N	406.574	4.532	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)Oc3ccc([N+](=O)[O-])cc3Br)cs2)o1	739310514	FZUXPHNRTRGRRL-UHFFFAOYSA-N	423.244	4.530	50	20	HJGD	
C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	741870687	ZEDFMVQNKHRQGX-PRHODGIISA-N	409.770	4.726	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(Cl)nc1)c1ccc(OCc2ccc(F)cc2)cc1	745801205	KTQIFPDFSCRHQY-CQSZACIVSA-N	414.868	4.840	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(SC)c(OC)c1	746340185	AQNRVLOXJLEQBD-ZSOIEALJSA-N	402.903	4.933	50	20	HJGD	
CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(F)(F)F	749822496	DHUHKPYGZHCXAT-UHFFFAOYSA-N	406.360	4.537	50	20	HJGD	
CCCCN1C(=O)CC[C@H](C(=O)NNc2cc(C)cc(C)c2)[C@@H]1c1ccccc1OC	750715484	BVSNXNLLLOALNI-URXFXBBRSA-N	423.557	4.535	50	20	HJGD	
CCOCCN1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752974171	JOYKRZSJIAIEDO-UHFFFAOYSA-N	403.417	4.530	50	20	HJGD	
CCN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H](C)CS(C)(=O)=O	752983451	YDMIWMONNIZZKG-SNVBAGLBSA-N	410.430	4.631	50	20	HJGD	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(C#N)c(Cl)c2)c1	753312885	HPMHIJYRYPMWLQ-UHFFFAOYSA-N	419.312	4.997	50	20	HJGD	
Cc1c(C(=O)NNC(=S)Nc2ccccc2C(C)C)cccc1-c1ccccn1	754880143	CURJDDLRJPKBQU-UHFFFAOYSA-N	404.539	4.812	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1c(Cl)cccc1Oc1ccccc1Cl	759302696	YRCAOXBGSIPKOJ-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)c1	759322307	PVHGXWZDJVELIE-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3nc(C)co3)ccc2C)c1C	760068231	LWTNXTPERSFRBM-NHDPSOOVSA-N	418.497	4.569	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNc2c(Cl)cccc2Cl)c1C	763612037	GBBNZGBKPVUJQR-WFSQQTBHSA-N	421.328	4.669	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl	765004961	OZHFPBIZDJGQBZ-UHFFFAOYSA-N	414.824	4.756	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1[N+](=O)[O-]	767717806	OGNWDVNBTJBTBW-KPKJPENVSA-N	420.650	4.865	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1	771141172	WRJAAEKGRBPXHH-UHFFFAOYSA-N	410.424	4.603	50	20	HJGD	
C=CCC[C@@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1	771952241	ZXFIBTWBAAJBCI-OAQYLSRUSA-N	419.481	4.510	50	20	HJGD	
COc1cc(/C(C#N)=C\c2cn(-c3cccc(Cl)c3Cl)nn2)ccc1[N+](=O)[O-]	774563430	ZQSVAKXAQJKOEL-GHXNOFRVSA-N	416.224	4.555	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNc1cnc2ccccc2n1	774771546	PLEPNMZNOGYOKP-UHFFFAOYSA-N	419.488	4.839	50	20	HJGD	
CCOCCOc1c(Cl)cccc1NC(=O)NNc1ncc(Cl)cc1Cl	775572815	DBJGPHJJXVWALV-UHFFFAOYSA-N	419.696	4.606	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1	780806249	FCTAXVSEQNVPAO-UHFFFAOYSA-N	423.538	4.542	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[C@H]1CCSS1	782558311	JXUCRGDFARBTFM-IKGGRYGDSA-N	414.637	4.701	50	20	HJGD	
C[C@H](NC(=O)NNc1ncnc2ccsc12)c1ccc(-c2cccc(C#N)c2)cc1	782753272	HAVHBHYHYJGUTE-AWEZNQCLSA-N	414.494	4.617	50	20	HJGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)cc1	783346372	MDRNMHDJOGBMFU-QGZVFWFLSA-N	405.523	4.930	50	20	HJGD	
COC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1F	783562127	DFJFQIMRLAQOGI-MFOYZWKCSA-N	412.465	4.624	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1	785377897	IBOFVYUYJQAYDA-JXTFVVQCSA-N	400.409	4.656	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1cccc2c1OCC[C@H]2OC	790577615	SBCNAHRMWYSXPU-QGZVFWFLSA-N	420.307	4.630	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccc(F)cc2)n1)S(=O)(=O)c1ccc(Cl)cc1	797094490	DVXGXPMYFHKCRH-MFOYZWKCSA-N	404.875	4.941	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C	797970991	DBEBKLROUQVXQD-UHFFFAOYSA-N	420.252	4.500	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1cccnc1Oc1ccc(Br)cc1	808248029	ANQBPOXUYCXZPF-UHFFFAOYSA-N	404.091	4.512	50	20	HJGD	
COc1cc(C(=O)NN=C2CC[C@@H](c3ccccc3)C[C@H]2OC)ccc1OC(C)C	814756042	JUHGLFGPKGPJJA-XMSQKQJNSA-N	410.514	4.551	50	20	HJGD	
CCC(CC)(CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)OC	815753234	XMVPGUWWTVECQL-UHFFFAOYSA-N	404.401	4.604	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(-c3cccs3)no2)c1C	914622586	LAKKPLXBYVCSPJ-QJISPJEISA-N	410.499	4.838	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCCN2CCCC2)cc1	914703539	UIPVOKTVRUBAKW-CYVLTUHYSA-N	409.917	4.669	50	20	HJGD	
Cc1cc2cc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)ccc2[nH]1	914763842	QYTRTSKATDMJLU-DEDYPNTBSA-N	420.476	4.799	50	20	HJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	915843034	JGGAAAJMPGESBT-YAJBTMAUSA-N	421.884	4.678	50	20	HJGD	
Cc1ccc(C(=O)N(C)C)cc1OC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	916065399	JGDFSNNRZGOQJF-LPYMAVHISA-N	421.541	4.674	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)CCc2ccc3ccccc3n2)cc1	917360170	CHNKNONFYDZKJK-UHFFFAOYSA-N	406.555	4.528	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc(C(C)=NNC(=O)c2ccc3ccccc3c2)cc1	917547339	QRVSVZMCKOUTDM-UHFFFAOYSA-N	402.498	4.868	50	20	HJGD	
CCCOc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(OCC)cc2)cc1OC	918590073	WCLKVJRGTSCWIY-PNWWAVQQSA-N	408.498	4.667	50	20	HJGD	
CCCCC1CCC(NC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CC1	920239484	OZVOICWEFCZJGI-UHFFFAOYSA-N	413.518	4.552	50	20	HJGD	
O=C(NNC(=O)c1oc2ccccc2c1CSc1cccs1)c1ccccc1	921277523	RXFLHUQYJUUASH-UHFFFAOYSA-N	408.504	4.861	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3ccc(Cl)cc3F)o2)c1C	1322642829	RQGMSHTTWQMFRP-DHDCSXOGSA-N	400.841	4.658	50	20	HJGD	
CCc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](Cl)CC)cc3)CCC2)cc(C)n1	1790487075	QFMKXZAIEXTIKM-FQEVSTJZSA-N	413.949	4.718	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](Cl)CCC)n[nH]1	1815314184	GGXHTTGHMDAHME-WMZOPIPTSA-N	406.958	4.578	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)[nH]n1	1815315008	RKOISGHOMQGOFZ-VDZJLULYSA-N	420.916	4.520	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)[nH]n1	1820862206	VSTVSPKMLPXOQT-OVWQWFNUSA-N	408.974	4.636	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2C2CC2)n[nH]1	1823134909	MPNVJCVSVVQWAE-PKOBYXMFSA-N	414.937	4.610	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CCCCC2)CC1	1830310924	YVVCTAQYWYUQAL-GOHIESPPSA-N	409.014	4.760	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2cc3ccccc3o2)c(C)n1C[C@H]1CCCO1	26386425	GWAINJSUDSWPFQ-GCZUPJGRSA-N	417.509	4.815	50	20	HJGD	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2cccc(OC)c2)cc1OC	33471232	CJEAPZRGNVKXHV-NVNXTCNLSA-N	416.271	4.655	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccnc2)cc1	211454007	SWKKGXKAXSMPQT-ZHZULCJRSA-N	405.461	4.788	50	20	HJGD	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NNC(=S)Nc1cccc(Cl)c1	729864092	KGQGVUYPFAGRDE-GETOMWPZSA-N	403.935	4.548	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(/C#N)C(=O)c3ccc(F)cc3)cc2)oc1C(=O)O	729936939	JLBPGYDYABWGLL-BOPFTXTBSA-N	405.381	4.794	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1OC(F)F)c1ccc(COc2ccccc2)o1	732924173	RQHIZVSFJOAPPS-UHFFFAOYSA-N	420.799	4.877	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2cnc(-c3ccc(C)cc3)s2)cc1OC	734297180	USYAAARKTAAIHZ-UHFFFAOYSA-N	409.511	4.680	50	20	HJGD	
CC(C)Oc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cn1	742005298	SLMLAMFHYCIPRV-UHFFFAOYSA-N	419.106	4.695	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccco1	743289372	SDJNAEIOQUEPDA-CQSZACIVSA-N	419.868	4.713	50	20	HJGD	
CC[C@H](NC(=O)NNc1c(F)cc(F)cc1Br)c1ccc(OC)cc1	745308583	UHRVVNSSONSFNO-HNNXBMFYSA-N	414.250	4.513	50	20	HJGD	
O=C(NCc1cccc(NC(=O)c2ccccc2)c1)NNc1ccc(Cl)c(F)c1	746744759	NWYCAUZBVVYECT-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2cccc(F)c2)nn1-c1c(Cl)cccc1Cl	748101859	LTGJNALEGIHFGS-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NNc1ccc(F)cc1C	748562258	PGBIHJCBSABFJJ-UHFFFAOYSA-N	423.872	4.900	50	20	HJGD	
N#C/C=C(\c1ccccc1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1	750794476	HVWBAGJQFNBPHJ-KEBDBYFISA-N	410.315	4.664	50	20	HJGD	
O=C(NN=Cc1ccccc1C1CC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1	751129948	QEEPRKRKVHGBQX-UHFFFAOYSA-N	407.477	4.576	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(-c2ccccc2)nn1)c1ccccc1C(F)(F)F	754471769	MAJDZGDAMFPQTP-AWEZNQCLSA-N	400.404	4.799	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3nc(C(F)(F)F)cs3)cc12	755853147	VBGDBVBFRRWAHG-UHFFFAOYSA-N	423.445	4.628	50	20	HJGD	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)Nc1cccc(C(F)F)c1	756299896	OAEZTNLUSGHCKI-UHFFFAOYSA-N	411.836	4.598	50	20	HJGD	
O=C(NN=Cc1ccc(F)c(Cl)c1Cl)c1cc(F)ccc1Br	761807067	MHTONZQFVVVWLQ-UHFFFAOYSA-N	408.029	4.798	50	20	HJGD	
O=C(NC[C@H](CO)Cc1ccco1)Nc1cccc(S(F)(F)(F)(F)F)c1	762965789	KTPKGNHZDVFYEQ-LLVKDONJSA-N	400.369	4.910	50	20	HJGD	
COC(=O)N1CCC[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762975884	NZFAHUGWKHCABQ-LLVKDONJSA-N	403.373	4.696	50	20	HJGD	
C[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1nc(-c2ccc(Cl)cc2)no1	769925269	KVQBZDSMYNLSHW-YSYLPMMESA-N	424.726	4.521	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccccc2Cl)cc1NC(=O)OC(C)(C)C	769948568	CQKBWRLMFYOVFU-UHFFFAOYSA-N	406.870	4.844	50	20	HJGD	
Cc1coc(-c2cccc(NC(=O)NNc3ccc(F)cc3Br)c2)n1	770068161	RGOKFEOZKJJJEW-UHFFFAOYSA-N	405.227	4.700	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccc(Br)c(F)c2)cc1OC(C)C	771192355	DKZQIERPERCWKN-UHFFFAOYSA-N	412.259	4.533	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1cc(-c2ccccc2)ccc1Cl	771561063	KRWKYLJTPHAVFL-UHFFFAOYSA-N	402.679	4.921	50	20	HJGD	
COc1cccc(CN(C)C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	772926437	DREFTBDDEZNDHM-UHFFFAOYSA-N	424.391	4.950	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2sc(-c3ccccc3C)nc2C)c(C)c1	773766493	NKYIRCISZFQSPK-UHFFFAOYSA-N	410.568	4.675	50	20	HJGD	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNc1nc3ccccc3cc1C)O[C@H](C)C2	777479532	ZEUBQDFWKWAPJL-MOXGXCLJSA-N	417.509	4.512	50	20	HJGD	
O=S(=O)(Nc1nnc(-c2ccco2)o1)c1cccc(S(F)(F)(F)(F)F)c1	780743166	DNTHFPWYTGCJND-UHFFFAOYSA-N	417.337	4.788	50	20	HJGD	
CC(C)CO[C@@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782985288	NHUCUGBMLJPOJT-GFCCVEGCSA-N	409.442	4.780	50	20	HJGD	
COCCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@H](C)c1cccc(C(F)(F)F)c1	787260281	CWMPEBGWKOXIME-PWDRBQJJSA-N	418.415	4.554	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2ccccc2n1CC(F)(F)F	787537267	AOAHLYYBQXXCST-UHFFFAOYSA-N	417.309	4.859	50	20	HJGD	
COc1ccccc1COC1CCN(Cc2ccc(OCCCCl)cc2)CC1	798186858	KOYNVXKDZUXWTF-UHFFFAOYSA-N	403.950	4.884	50	20	HJGD	
CSc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	798569576	VFKUEFLVHVFONJ-DOMSFPOZSA-N	423.582	4.790	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1sccc1C1CC1	804207249	MYJGAIUTQBBTCC-UHFFFAOYSA-N	404.417	4.858	50	20	HJGD	
O=C(CCCc1cccs1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211009	IUOIQPSEMMJDRO-UHFFFAOYSA-N	406.433	4.690	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Nc1c(F)cccc1F	806108001	OJGAGRZTRAKIOC-UHFFFAOYSA-N	409.318	4.589	50	20	HJGD	
O=C(NNc1cccc(F)n1)Nc1cc(C(F)(F)F)ccc1SCC(F)F	806304178	WYUJTXJXXOCETF-UHFFFAOYSA-N	410.343	4.745	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc4[nH]ccc4c3)cc2)n1	811631409	XNQOLFTWGRQKHF-UHFFFAOYSA-N	415.522	4.631	50	20	HJGD	
CCn1c(SCC(=O)NNc2c(C)cccc2C(C)C)nnc1-c1ccccc1C	812762766	JNWSDENNRIYWNS-UHFFFAOYSA-N	423.586	4.941	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)OC2CCCCC2)ccc1OC(=O)c1cccs1	834743417	DLPQKZNBWOCUKJ-VBKFSLOCSA-N	411.479	4.759	50	20	HJGD	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1occc1-c1ccccc1	849200657	WQBOUGAUGUOYNM-UHFFFAOYSA-N	412.873	4.529	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2csc(Nc3ccccc3)n2)cc1	913262855	MWSFJSTWRARODU-SFQUDFHCSA-N	405.479	4.936	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCC2(c3ccccc3)CCOCC2)c(C)n1CC(C)C	915179355	CJWUSQKOGJOGNJ-HZHRSRAPSA-N	419.569	4.533	50	20	HJGD	
O=C(NN=C1CCN(Cc2ccccc2Cl)CC1)c1cc2ccccc2cc1O	915934895	NEOXUMRIWGCMQS-UHFFFAOYSA-N	407.901	4.581	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(OC(C)C)cc2)c1C	918532301	NSPZHQASPDKXHS-FNLSEGDXSA-N	410.514	4.750	50	20	HJGD	
COCCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	920018321	OJZLIXXOHRYEER-QNGOZBTKSA-N	409.530	4.722	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1cncc(Br)c1	1116398593	GEVFEMPYVIKEGY-UHFFFAOYSA-N	423.723	4.686	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1cn[nH]c1-c1ccc(Cl)cc1	1330161858	XRAJCIOQWOMLFZ-UHFFFAOYSA-N	402.882	4.502	50	20	HJGD	
O=C(/C=C/c1ccc(F)cc1F)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788582391	KOBXUFUVOMCLGI-JFKHNGDKSA-N	422.834	4.647	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](CC)c2ccccc2)n[nH]1	1816745442	ZLNSXUJJOVPNHI-LNLFQRSKSA-N	416.953	4.613	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2F)CC1	1824614674	HGQPSEGMLKRZOM-TZIWHRDSSA-N	422.972	4.775	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1	6410530	WTGCCAMQEBETBG-QTCOBDOFSA-N	419.488	4.719	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2cc(Br)ccc2OC)cc1	7769971	LBBAAMRFQNATHZ-XNTDXEJSSA-N	416.271	4.507	50	20	HJGD	
CSc1cccc(N(C)C(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1	726151827	NLMHMDKCZQPLMX-PRWBYUBPSA-N	409.555	4.576	50	20	HJGD	
C[C@H](Sc1ccccc1Cl)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792063	HFHIEGSKXVTGIF-VIFPVBQESA-N	403.718	4.589	50	20	HJGD	
CC(C)[C@@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1nc(C2CC2)no1	727943897	UGVXNEOCAOGQJT-HXUWFJFHSA-N	405.502	4.565	50	20	HJGD	
Cc1ccc(SCC(=O)NNC(=S)Nc2c(Cl)ccc(C)c2Cl)cc1	728442539	AQNUFNLWQXVBNQ-UHFFFAOYSA-N	414.383	4.720	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC[C@@H](C2OCCO2)C1	729553480	QNBQQYJREQWVFQ-ABAIWWIYSA-N	424.872	4.523	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ncccc3Cl)c3ccccc3n2)cc1	734247369	GPDJWKISRQHWHF-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CN(C)C(=O)OC)cc2)c1C	735255702	RWNFDNCCVYUUKV-STZFKDTASA-N	422.529	4.649	50	20	HJGD	
CC[C@H](Cc1cccc(Br)c1)C(=O)NNc1ccc(F)c(F)c1F	735332404	ZHXUZMCCEYIQRV-LLVKDONJSA-N	401.226	4.578	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3C[C@H](OCC(C)C)C3(C)C)s2)cc1	737427430	LLQCGUDYPKUUCS-IBGZPJMESA-N	415.559	4.563	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCN(C(C)=O)c3ccccc32)c1C	741973524	HTNSYUFDTCTZJR-JWGURIENSA-N	418.541	4.602	50	20	HJGD	
Cc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)ccc1NC(=O)CC(C)C	743298197	SUIDPBXQMZXRJU-UHFFFAOYSA-N	410.905	4.938	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OCCCC2CCCC2)c(-c2ccccc2)n1	744454775	IXORYAPFVWIPKJ-LTGZKZEYSA-N	402.498	4.884	50	20	HJGD	
CCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	745844432	UDERJFIJZHMZKR-KQWNVCNZSA-N	423.520	4.728	50	20	HJGD	
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccc(F)c2)c1	748087442	ZUIFDXIQHYONBL-UHFFFAOYSA-N	416.456	4.503	50	20	HJGD	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNc3cccc(F)c3)cc12	748088349	SNHPGHAWBGGUMT-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(OC(F)F)cc2)o1	748643122	CSDXCLHWQLWPSS-UHFFFAOYSA-N	424.407	4.799	50	20	HJGD	
Cc1c(NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cccc1[N+](=O)[O-]	748669860	JNJGJABZGPLLSF-UHFFFAOYSA-N	413.865	4.623	50	20	HJGD	
Cc1ccccc1-c1nc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cs1	748705069	YDFOLRYANUXMAO-UHFFFAOYSA-N	407.417	4.817	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)/C(C#N)=C\c3ccc(F)cc3)cccc21	752527246	RJTPAUIBHFKMIA-SSZFMOIBSA-N	407.445	4.669	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1ccc(-c2ccccc2)cc1F	755741527	XFGQQNXOCVPKTG-UHFFFAOYSA-N	400.413	4.507	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2CCC(F)(F)F)c1C	757441139	WBTZCRWVEMPRSH-CPNJWEJPSA-N	419.447	4.792	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OC/C=C/c2ccccc2)c(-c2ccccc2)n1	761401724	NEMBJFLHVBDFPX-AFHPDWHOSA-N	408.461	4.627	50	20	HJGD	
Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762637814	CBMLXTITMKZXHQ-UHFFFAOYSA-N	413.368	4.546	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1	766035994	YLAIBZIWZROWNS-DLBZAZTESA-N	417.543	4.902	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1cccc(OCc2cccc(Cl)c2)c1	766671088	AMVVDQLSHODXRI-UHFFFAOYSA-N	410.886	4.681	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1cc(Br)ccc1Br	772010326	TVLIGWDDFQNKOZ-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(-c2ccc(C#N)cc2)n1	777870306	RDEYFDLQHZXRJS-OVCLIPMQSA-N	422.275	4.811	50	20	HJGD	
O=S(=O)(NCCCOCC(F)(F)F)c1cccc(S(F)(F)(F)(F)F)c1	777874596	LZNQFHHPWVNLTH-UHFFFAOYSA-N	423.347	4.591	50	20	HJGD	
COc1cccc(C(=O)c2ccc(C(=O)NNc3ccc(Cl)cc3Cl)cc2)c1	780948733	PYKFOMYRGODUOF-UHFFFAOYSA-N	415.276	4.990	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)[C@@H](Br)C(C)(C)C)cc1	781099610	RVNJPENUYCBLJP-CZUORRHYSA-N	412.372	4.547	50	20	HJGD	
O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(S(F)(F)(F)(F)F)cc1	782988403	SLFYYDPRLJRBJI-BFHYXJOUSA-N	419.437	4.580	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1	786039556	FENNVLVJQQULAO-HMAPJEAMSA-N	405.523	4.596	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)c(Cl)cc2F)c1C	798579976	IMERNDNOSUGSII-VGOFMYFVSA-N	410.276	4.743	50	20	HJGD	
CC1=C(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H](C)n2ncnc2N1C	798993522	LDLXFYFFLJORTQ-SNVBAGLBSA-N	409.384	4.859	50	20	HJGD	
Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)/C(C#N)=C3/Nc4ccccc4S3)n2)cc1	799336401	MJNPZACPFJOTDF-NSPLTWOJSA-N	419.535	4.783	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccncc1OCc1ccccc1	803398073	KKHSTNULBMJBCZ-LJQANCHMSA-N	402.585	4.991	50	20	HJGD	
CCCN(NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C	804591045	BTBGTPHRQIEKMT-UHFFFAOYSA-N	413.396	4.652	50	20	HJGD	
CC(C)c1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(O)n1	817015020	IHLQVHYDLTXSRK-UHFFFAOYSA-N	407.314	4.705	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)nc(C2CC2)n3C)c1C	819727134	ACQVOLMMUYDHAR-BKUYFWCQSA-N	415.541	4.502	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1	899882053	DDRIVXXEUSCXCZ-XKZIYDEJSA-N	400.478	4.813	50	20	HJGD	
O=C(Nc1cccc(-c2nnc3n2CCC3)c1)NN(c1ccccc1)c1ccccc1	915341311	RMQMHMGZDLVMHS-UHFFFAOYSA-N	410.481	4.766	50	20	HJGD	
CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(N)=C(C#N)C#N)cc2[N+](=O)[O-])cc1	916138051	GSPPOIKVEHYYOD-YBEGLDIGSA-N	413.437	4.852	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cn1)c1ccccc1	916162968	WTJPYNAFABPIMB-AWEZNQCLSA-N	401.388	4.997	50	20	HJGD	
CC(=O)N1Cc2ccc(NC(=O)/C(C#N)=C\c3cc(C)n(CCC(C)C)c3C)cc2C1	1318971210	CYNAKUPVNFZWFQ-JJFYIABZSA-N	418.541	4.559	50	20	HJGD	
COc1c(C)cc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)cc1C	1788588637	FJMVWEQZHHNNLG-IBGZPJMESA-N	418.896	4.594	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(OC)c3)cc2)CCC1	1792103270	HZUSZIWRACLAHJ-KRWDZBQOSA-N	418.896	4.599	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cocn1	1795315616	YMIUBHINDPGWSP-REPLKXPHSA-N	423.985	4.676	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1	1818801537	NCKJVOIIJANAQP-BQFCYCMXSA-N	406.958	4.556	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)[nH]n1	1820857829	DQSULZNQNYLYAG-IEBWSBKVSA-N	416.953	4.856	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(F)cc1	33733540	XMESNQNSVNSIEA-ATVHPVEESA-N	413.408	4.994	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl	727783703	DNLFINYAIGMISO-UHFFFAOYSA-N	409.125	4.932	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2coc(-c3ccc(F)c(F)c3)n2)cc1	728616649	CDTVDOLORNCMKF-CXUHLZMHSA-N	410.376	4.669	50	20	HJGD	
C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	728891208	MUIBNJBJHXQSHM-NVXWUHKLSA-N	414.587	4.884	50	20	HJGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1	728898113	IPIJTECXNAIURI-MYPRBZEGSA-N	415.541	4.702	50	20	HJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(C(F)F)c1	729166615	VJGNARQVVHEOQU-UHFFFAOYSA-N	417.239	4.551	50	20	HJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(OCc3occc3C(=O)O)cc2)c1C	730949472	WZIIVCKLPHDDRK-LDADJPATSA-N	401.418	4.964	50	20	HJGD	
Cc1ccc([C@H](NC(=O)NNC(=O)c2ccccc2)c2ccc(F)cc2Cl)cc1	731044408	RFZKRRUKQWELNL-FQEVSTJZSA-N	411.864	4.521	50	20	HJGD	
Cc1nn(C)c(Cl)c1COC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	731696136	JEOPHIODJMYZLK-WOJGMQOQSA-N	414.937	4.956	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)c1ccccc1	732235802	KGLNZJZXVCYEKL-DGCLKSJQSA-N	412.292	4.718	50	20	HJGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1	732828899	WHSJPTUWWJWQFF-FQEVSTJZSA-N	422.550	4.540	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c1	732926771	UOYGXANSGJFVJR-KPKJPENVSA-N	407.442	4.596	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccccc1-c1ccc(Cl)cc1	733929102	GBECKPZHEMTQGK-UHFFFAOYSA-N	402.325	4.989	50	20	HJGD	
CCO[C@H](C)c1nc(COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cs1	736743664	YJFDNUSNYZTXBT-AHUIGUKZSA-N	415.559	4.965	50	20	HJGD	
C[C@](O)(CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1cccs1	740434414	IUHXPEUMKDVPER-ZFWWWQNUSA-N	424.897	4.997	50	20	HJGD	
Cc1cnc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)s1	742122356	ULUQGRFRYCZZCT-CAOOACKPSA-N	410.930	4.736	50	20	HJGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1cc(Cl)ccc1Br	743434352	OVDQMSFVOGBXQF-UHFFFAOYSA-N	417.690	4.785	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1	743559578	RMBWKSWNANOGGS-UHFFFAOYSA-N	420.469	4.574	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1ccccc1C(F)(F)F	743560304	DJICJBSXNAQQCE-CYBMUJFWSA-N	401.388	4.564	50	20	HJGD	
C[C@@H](CCNC(=O)NNC(=O)C(C)(C)c1ccccc1)c1cccc(C(F)(F)F)c1	746420162	CTKDBKMCHHVDRN-HNNXBMFYSA-N	421.463	4.507	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2csc(Nc3ccc(OC)cc3)n2)cc1	747874004	RBIOHFHSRVRESQ-LFIBNONCSA-N	421.478	4.554	50	20	HJGD	
COc1ccc(Nc2nc(Cl)c(C=NNC(=O)CCc3ccccc3)s2)cc1	749744945	LYFFUUJRDIINIW-UHFFFAOYSA-N	414.918	4.632	50	20	HJGD	
Cc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)cnn1-c1ccc(Cl)cc1	754143614	PQSBZSLMPAEPPN-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
CCOC(=O)NNC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1	769977556	QWTFVQOTEMGTPH-UHFFFAOYSA-N	402.209	4.707	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(OC(F)F)cc(OC(F)F)c1	775781906	ZEZIOVYVHWORGH-UHFFFAOYSA-N	412.261	4.665	50	20	HJGD	
COc1ccc2nc(NNC(=O)[C@H](C)c3ccc(Br)s3)c(C)cc2c1	778479057	QMIGWJVRIZMRNP-LLVKDONJSA-N	420.332	4.623	50	20	HJGD	
COCCn1c(C)c(C)c2cc(C(=O)NNc3ccccc3OC(F)(F)F)ccc21	779200903	CNHKWWLDYUJJRB-UHFFFAOYSA-N	421.419	4.560	50	20	HJGD	
O=S(=O)(NCc1ccc2c(c1)CCO2)c1ccc(S(F)(F)(F)(F)F)cc1	782978235	FHHATWJSCGCTFT-UHFFFAOYSA-N	415.405	4.757	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CC(C)(C)Cc2ccc(Cl)cc2)c1C	783896866	NZPXMKQYSRCAGW-UHFFFAOYSA-N	423.948	4.911	50	20	HJGD	
CCOc1ccc(-c2nc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)sc2C)cc1	786755362	QOBUIDVFPPZDRL-SFQUDFHCSA-N	405.479	4.769	50	20	HJGD	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	787320697	XAJZIIUTJPFDPH-VBKFSLOCSA-N	404.447	4.527	50	20	HJGD	
Cc1cscc1CNC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	787586810	GVYDBPQEJAPVBT-HNNXBMFYSA-N	422.881	4.531	50	20	HJGD	
COc1cc(NNC(=O)c2oc3ccc(Br)cc3c2C)ccc1Cl	790180690	UFZXXFRFSRFEPQ-UHFFFAOYSA-N	409.667	4.923	50	20	HJGD	
Cc1nc2ccccn2c1C(=O)NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	799468809	PUVRKWXDESVPMD-HNNXBMFYSA-N	400.404	4.715	50	20	HJGD	
CCc1cc(C(=O)NNc2nccc3sccc23)c2c(CC(C)(C)C)noc2n1	800691470	WMLNSUABBWRCRF-UHFFFAOYSA-N	409.515	4.740	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c(C)n1C1CCCCC1	807677974	TYXOOVIVAAACRE-QFXGEWDLSA-N	405.546	4.994	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2csc3ccccc23)cc(OCC)c1OCC	812380019	CWFHOZKJRLDHFR-UHFFFAOYSA-N	412.511	4.861	50	20	HJGD	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNc1cccc(Cl)n1	817009345	GAUGEVDSWKOVOQ-SNAWJCMRSA-N	409.717	4.929	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1	901000797	USIUWYSGESFCRV-UHFFFAOYSA-N	402.267	4.753	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1O	915848160	QEPNKEBITXMXBT-SDQBBNPISA-N	421.678	4.671	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)c1ccsc1	921268319	AMDIFJVAKQCNHW-OQLLNIDSSA-N	406.301	4.716	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2csc(C(F)(F)F)n2)c(C)n1CC(C)C	1320914361	FAXCNUJRIHPNKX-GIDUJCDVSA-N	411.449	4.887	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)oc1C1CC1	1329068372	UDYQLHYTMVBCMJ-UHFFFAOYSA-N	403.360	4.875	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3C)CCC2)cc1	1786444787	KOHMIKHRWQEMCP-FQEVSTJZSA-N	413.949	4.854	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccc(Cl)cc1F	1788579714	CASMRUQDVMECMH-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1	1789388842	BCQKUZCRSCTPLQ-IBGZPJMESA-N	424.932	4.718	50	20	HJGD	
Cc1cscc1C(=O)NC1(c2ccc(NC(=O)CO[Si](C)(C)C)cc2)CCC1	1789648158	UFTXBJFWIHGWER-UHFFFAOYSA-N	416.619	4.656	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)CCC1	1790269335	IRSBGTZGAXLPOE-HXUWFJFHSA-N	413.949	4.518	50	20	HJGD	
Cc1ocnc1C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1844555310	IDEKUSSMSNUEIR-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1	15665899	VUAHXAPPMSEZBR-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
C[C@H](c1ccccc1)n1cnnc1SCC(=O)/C(C#N)=C1\Nc2ccccc2S1	117464389	CYWLSAXKCLODPF-HUSAPJIJSA-N	419.535	4.502	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1	728439287	GZIWOFRHTFWSFL-PXNMLYILSA-N	414.446	4.961	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC(C)(C)c2nccs2)c(C)n1-c1ccc(F)cc1	734805219	JBZUPPWVYKPWJO-SFQUDFHCSA-N	408.502	4.648	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccc(Oc2cccc(Br)c2)nc1	735698240	VSJODNBQCPCGPZ-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)C(=O)Nc1ccc(SC(F)F)cc1	737445098	YBZQKCMFGRBFNA-YRNVUSSQSA-N	404.829	4.848	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c(C)n1C1CCCCC1	741644805	GWKDWLXWNCEROJ-NRGHRLTFSA-N	409.574	4.837	50	20	HJGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1ccc(SCC(F)(F)F)cc1	741758002	GJUUPQSYWOYHFT-UHFFFAOYSA-N	420.460	4.540	50	20	HJGD	
CC[C@H](Cc1ccccc1)N(C)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	741963998	CWWFQPMHPHMYAT-LFRJBJLHSA-N	407.558	4.699	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)cc2Cl)cc1	742349711	IHZCITMHCRLOAL-JYRVWZFOSA-N	418.678	4.607	50	20	HJGD	
C[C@@H]1C[C@H]1[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1	743630688	ZNFYXDNPBLPWBA-IFZYUDKTSA-N	407.901	4.835	50	20	HJGD	
COc1ccc([C@@H](C)CCNC(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1	743638547	RBXRMJPRXGVBOV-NSHDSACASA-N	416.831	4.582	50	20	HJGD	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c1	746896020	MNQOZFNWUDHHPG-UHFFFAOYSA-N	424.810	4.582	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc(OCC#N)cc3)n2)c1	747150884	JXBHBPHJNPUQLF-PDGQHHTCSA-N	414.490	4.875	50	20	HJGD	
C[C@@](Cc1nc2ccccc2s1)(C(=O)NNc1ccc(C#N)cc1)c1ccccc1	748104967	UUNNSSACOOPWTQ-DEOSSOPVSA-N	412.518	4.812	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)CCc2nc3cc(Br)ccc3s2)c1	748365685	JYZOUDHBKZPUDA-UHFFFAOYSA-N	404.333	4.752	50	20	HJGD	
O=C(CSCc1coc(-c2ccccc2)n1)NNc1ccc(C(F)(F)F)cc1	748506699	FCNPZVMPQHPZGI-UHFFFAOYSA-N	407.417	4.737	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(F)(F)F	750896575	QXIGHORIMRWITN-SXGWCWSVSA-N	404.388	4.799	50	20	HJGD	
CC(C)COC(=O)Nc1cccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c1	751269348	BAAFLYRMVOBJFU-UHFFFAOYSA-N	424.950	4.863	50	20	HJGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3ccc(C(F)(F)F)cc3)c2c1	752143299	DVTQZNCSDXDVBB-UHFFFAOYSA-N	401.388	4.897	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)o1	752883144	NGYDZDDGLSPVEZ-GOSISDBHSA-N	418.280	4.628	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2ccncn2)ccc1OCCOc1cccc(C)c1	758911524	JMICYNIQTIDUBU-ZHZULCJRSA-N	401.466	4.706	50	20	HJGD	
Cc1ccc(S[C@@H](C(=O)NNc2ncccc2[N+](=O)[O-])c2ccccc2)c(C)c1	759292221	PNWXNFOVDHRDRP-LJQANCHMSA-N	408.483	4.583	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1	768143356	ABFKTZBIPAZGGJ-BXKMTCNYSA-N	408.361	4.743	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(Br)cc1Br	768303179	WJBROKSRDXEMRU-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
O=C(NNc1ccccn1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1	768387438	LHJMTKKPCCGXOA-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
Cc1ccncc1[C@H](C)NC(=O)NNc1ccc(Br)cc1C(F)(F)F	771441894	RQVLGKSHQKRNDF-JTQLQIEISA-N	417.229	4.559	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1csc(Cc2ccccc2F)n1	771689805	XMUAWXWLTKEJSJ-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
CCCCOCCCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772807020	INTMRAMNWRJIJA-UHFFFAOYSA-N	404.401	4.606	50	20	HJGD	
C[C@@H](CCCCC(=O)O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776560537	ATHFPOBHVNUFKK-JTQLQIEISA-N	411.414	4.656	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C(=O)NNc3ccc4ccccc4n3)c2Cl)cc1	777460832	ZKJZAWSGLUWSPF-UHFFFAOYSA-N	405.889	4.507	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(C(F)(F)F)c2)cc1OC	780147116	JWURPNSOFCVMAV-XGICHPGQSA-N	410.779	4.922	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc3ccccc3o2)c1C	781807336	MRIFFZKBJSVHMZ-KVNVDJNSSA-N	407.470	4.665	50	20	HJGD	
CC[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978568	CJRJMSHCKCJTFM-UONOGXRCSA-N	409.442	4.658	50	20	HJGD	
CC(C)N(C)c1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cn1	790100662	GQYWNEMNZPAQGO-NVNXTCNLSA-N	410.326	4.571	50	20	HJGD	
CC(C)(C)OC(=O)N1CC=C(CCNC(=O)CCCC[C@@H]2CCSS2)CC1	794177179	GBFAZQHVRQBLFH-QGZVFWFLSA-N	414.637	4.774	50	20	HJGD	
Cc1cccc2cc(C=NNC(=O)COc3ccc4ccccc4c3)c(Cl)nc12	794770994	FQAMUOMQBVYDIZ-UHFFFAOYSA-N	403.869	4.879	50	20	HJGD	
C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	796381634	XBHPZRBMJHWXSH-DENIHFKCSA-N	404.671	4.503	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1c(-c2ccc(Cl)c(Cl)c2)noc1C	797971329	LOAJLGHMKOYOOU-UHFFFAOYSA-N	420.252	4.500	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cc(C(C)C)oc3C)cc2)cc1	806379105	JJGHPEHKMJAGHB-UHFFFAOYSA-N	412.511	4.610	50	20	HJGD	
CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806896538	VCYKEQJSAICZEY-OAQYLSRUSA-N	422.529	4.730	50	20	HJGD	
CN1CCO[C@@H]([C@H](NCc2ccc(OCCCCl)cc2)c2ccc(Cl)cc2)C1	811486062	IFGXTMQYNPJSGB-FGZHOGPDSA-N	423.384	4.509	50	20	HJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1Br	811627795	HAEMBKMFUAWSBG-WZUFQYTHSA-N	411.177	4.719	50	20	HJGD	
O=C(NN=CC1=Cc2ccccc2OC1)c1cn(-c2ccccc2)nc1-c1ccccc1	812381463	UIBGGCFTSZOABZ-UHFFFAOYSA-N	420.472	4.731	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccccc1Nc1ccc(OC(F)F)cc1	849511356	YCMPDTOISHDHKE-UHFFFAOYSA-N	414.368	4.697	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c1C	914500761	YZOCZJJFEZGPQD-GNEHONMRSA-N	415.484	4.717	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=C(/C#N)C(=O)N2CCCC2)cc1	915847876	VCJKUBLJXYXJRH-RGEXLXHISA-N	400.457	4.516	50	20	HJGD	
CCCCN(C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CC1	918440440	NESHTWYAJQIMSO-INIZCTEOSA-N	408.873	4.636	50	20	HJGD	
Cc1ccc(-c2nc(C=NNC(=O)Cc3nc(-c4ccccc4)cs3)cs2)cc1	918711050	OTGABKQQASEEQV-UHFFFAOYSA-N	418.547	4.935	50	20	HJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccc(F)cc3Br)cs2)cc1	918712396	MMWQUFSRJQZNRN-UHFFFAOYSA-N	418.291	4.784	50	20	HJGD	
Cc1cccc(OCc2nnc(/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)o2)c1	1322687551	HDNYOQKKOMLUAS-ZRELAVNMSA-N	418.497	4.619	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820904843	GYDCCLKJYGWPJB-DXRVJIQQSA-N	420.985	4.803	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(Cl)c1O	6410405	SMIOTOGXZNVWEQ-IZZDOVSWSA-N	410.829	4.915	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccs1	16883858	IWCLJHRMEGOEEW-LFIBNONCSA-N	407.422	4.905	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(/C#N)c1nnc2n1CCCCC2	211853151	QEGOIKSQUSHEDG-UVTDQMKNSA-N	413.312	4.870	50	20	HJGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1sc2cccc(Cl)c2c1Cl	729451034	FTLLWWTYLZCCRW-UHFFFAOYSA-N	418.305	4.624	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCN(C2CCCC2)CC1	730664910	QBXXCXNFLNUMBM-INIZCTEOSA-N	421.916	4.998	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C)c1ccccc1	732001710	VASMEHFRLIPOBF-LJQANCHMSA-N	424.932	4.604	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCCO)c(C)n1-c1cccc(Cl)c1Cl	733377783	ONAQCXVQLSMJTB-LFIBNONCSA-N	407.297	4.624	50	20	HJGD	
COC(=O)c1ccc(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)o1	734204530	IWRJSDCCBMMDEV-CQSZACIVSA-N	422.812	4.607	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cs1)C1CC1	734304423	JFKKKLWURRDIJG-PXNMLYILSA-N	417.519	4.718	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c1C	735803106	UJBCAZVKRJKFSW-SXGWCWSVSA-N	400.866	4.931	50	20	HJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	739697448	BDJWSLRJBFPGEN-UHFFFAOYSA-N	415.755	4.589	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nc(C)c(C)s3)cc2OC)o1	741474560	QMNLDTUQBXAFKC-CXUHLZMHSA-N	424.478	4.791	50	20	HJGD	
CC[C@H](Cc1ccccc1)N(C)C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	741964934	HUFHZYPBRKTLPB-YGUAGOKOSA-N	419.569	4.671	50	20	HJGD	
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NNc3c(C)cc(C)cc3C)cc2)cc1	743763785	SIGGAHPUHZELJO-UHFFFAOYSA-N	422.550	4.651	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](C)c2cc3ccccc3s2)c(Cl)c1	745811351	WVRSYMLTHBAWAG-GFCCVEGCSA-N	402.907	4.960	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1F)c1ccc(Br)s1	748191737	RXAQUCPIQCSXKM-SSDOTTSWSA-N	422.117	4.659	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccnc(OCC(F)(F)F)c1	748673126	XUUWVGBXDSRDJG-UHFFFAOYSA-N	409.433	4.973	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(-c3ccccc3)no2)c1C	753041308	HUEYSLRICOMYMV-IZQLPPHKSA-N	404.470	4.776	50	20	HJGD	
Cc1ccc(Sc2ccc(C(=O)NNc3cccnc3Cl)cc2[N+](=O)[O-])cc1	754477943	OLNVJGYWVIOOMB-UHFFFAOYSA-N	414.874	4.860	50	20	HJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	759781956	RGUXKRCDFKBHSX-KAMYIIQDSA-N	403.935	4.548	50	20	HJGD	
Cc1nc(-c2ccc(CCNC(=O)[C@H](Br)C(C)(C)C)s2)cs1	767009375	XCRKYMZLTJMUPD-AWEZNQCLSA-N	401.395	4.648	50	20	HJGD	
Cc1c(NC(=O)NNc2ccc(Cl)cc2Cl)cccc1C(=O)N1CCCC1	769992207	DESZEECUFFLQKA-UHFFFAOYSA-N	407.301	4.686	50	20	HJGD	
O=S(=O)(Nc1ccc(Sc2ccncc2)cc1)c1ccc(CCCl)cc1	771904665	JLDXNPRSIKJFMH-UHFFFAOYSA-N	404.944	4.815	50	20	HJGD	
COc1c(Br)cccc1/C=C(/C#N)C(=O)c1ccc(OC(F)F)cc1	773914078	BEYBTUJDKHBYTB-LCYFTJDESA-N	408.198	4.849	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H]1CN1CCCC1	777909033	OYSFXLFGHURVSN-ZDUSSCGKSA-N	420.469	4.593	50	20	HJGD	
CN(C[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	778253701	SKUJVIHVBGDNCI-LNSITVRQSA-N	410.889	4.921	50	20	HJGD	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NNc1cc(Cl)ccn1	778451065	IMFSUKSAKPWCCY-UHFFFAOYSA-N	424.719	4.530	50	20	HJGD	
C[C@@H](CCO)C1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCC1	782982477	DEHIONHMSMHHCS-LBPRGKRZSA-N	423.469	4.811	50	20	HJGD	
COc1ccc(C(=O)CCCCCC(=O)NNc2nc3ccccc3cc2C)cc1	789847238	ZIAHFJYSHQZFAD-UHFFFAOYSA-N	405.498	4.828	50	20	HJGD	
C=C(CBr)CN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1	791459065	MYTUCGCUOIUPSW-UHFFFAOYSA-N	400.320	4.640	50	20	HJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F	794871582	CPLROJVDFBCFKL-QBFSEMIESA-N	400.335	4.576	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2n[nH]c(C3CC3)c2C#N)c(C)n1C1CCCCC1	807701722	PKLFWTLQNHLCHP-WOJGMQOQSA-N	402.502	4.628	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1	812765671	QZAIVPMKPLTTOH-UHFFFAOYSA-N	423.538	4.676	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc(C(C)(C)C)n[nH]2)c(C)n1C1CCCCC1	816407702	MPRONGRMDFJCBZ-LDADJPATSA-N	409.534	4.676	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	817010715	NYZOMZSVKYOOMD-SFHVURJKSA-N	405.857	4.990	50	20	HJGD	
Cc1noc(C(F)(F)F)c1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016501	YDCXZQUOJYWIPR-UHFFFAOYSA-N	421.219	4.796	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C	843130977	WBSCXMQBIFCSCI-BYQGBLLGSA-N	421.328	4.747	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3nccn3C(F)F)c2C)cc1	913023281	BULBNDUPWNBUKD-UNOMPAQXSA-N	423.467	4.560	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1ccccc1	915914753	XNCZEJDPFHTIIZ-JOCHJYFZSA-N	417.509	4.604	50	20	HJGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1	916128761	AVQKHOYJYYDVLL-GDNBJRDFSA-N	423.881	4.796	50	20	HJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1cccc(Cl)c1Cl	917037749	JWYSCTWNICTXBC-WDZFZDKYSA-N	409.656	4.964	50	20	HJGD	
COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1OCc1cccs1	917565903	ZCIGGMKOLOBBOT-UHFFFAOYSA-N	405.479	4.581	50	20	HJGD	
CC1CCC(N(C)C(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	918274681	JKUIOQADCCUNPX-MFGLSYLJSA-N	422.900	4.882	50	20	HJGD	
Cn1cc(C=NNC(=O)CSc2ccc(Cl)cc2)c(-c2cc3ccccc3o2)n1	920364317	CGICKXJRDVRLPE-UHFFFAOYSA-N	424.913	4.729	50	20	HJGD	
O=S(=O)(Nc1ccc(Oc2cccc(F)c2)nc1)c1ccc(CCCl)cc1	1319188295	UTAOTTNMWUUPKU-UHFFFAOYSA-N	406.866	4.595	50	20	HJGD	
Cc1cc(F)c(F)c(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)c1	1788589094	VTFDRCKPPXONFU-QGZVFWFLSA-N	410.823	4.555	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C2	1793682536	ZHYMRUDEXPPBGU-FQLMCAECSA-N	417.764	4.653	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](CC)c2ccccc2)n[nH]1	1816745444	ZLNSXUJJOVPNHI-ZIFCJYIRSA-N	416.953	4.613	50	20	HJGD	
O=C(c1ccccn1)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124514	YQXSVCSSDDZJQG-UHFFFAOYSA-N	419.997	4.648	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)c1ccco1	8200705	FGWCTVUEPGBAJV-GHRIWEEISA-N	410.389	4.830	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2ccncc2)cc1)C(=O)Nc1ccc(F)c(Cl)c1	59269687	UUYXTBGJAQAAPO-GZTJUZNOSA-N	407.832	4.999	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2c(Cl)cccc2Cl)c1Cl	245285845	ZAEQWYRZQMEXPV-UHFFFAOYSA-N	412.491	4.695	50	20	HJGD	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NNC(=O)CCCc1ccccc1	727845098	DXXFXJDAMOLHSM-AWEZNQCLSA-N	408.329	4.750	50	20	HJGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)s2)c1	728785140	WIVHPCNEFHHSTH-UHFFFAOYSA-N	410.296	4.813	50	20	HJGD	
CCSc1ccc([C@@H](C)NC(=O)NNC(=O)CCSc2ccc(F)cc2)cc1	729053983	IHKPGIHLXQEIHD-CQSZACIVSA-N	421.563	4.512	50	20	HJGD	
Cc1nc2c(s1)C(=NNC(=O)c1cc(-c3ccncc3)nc3ccccc13)CCC2	730945864	SYLFBODXYMCHLA-UHFFFAOYSA-N	413.506	4.532	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(c2ccccc2)C2CCN(C)CC2)c(C)n1CC(C)C	732732960	UEZKDKHBOSQJCQ-XQNSMLJCSA-N	418.585	4.795	50	20	HJGD	
COc1cc(F)c([C@H](C)NC(=O)NNc2ccc(Cl)cc2Cl)cc1OC	734068298	CFBGJBSDBXKPEY-VIFPVBQESA-N	402.253	4.537	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1	737470141	XOWKEDGEEDONST-BUBBNXEVSA-N	408.464	4.563	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1OCc1cccnc1	741462367	DNEMMGYCLDOLCZ-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(OCc2ccccc2)ccn1	743298505	XDLMEEDZXSGPPH-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
CCOc1cccc(C(C)=NNC(=O)c2sc(-c3ccc(OC)cc3)cc2N)c1	743531334	QXMZGXHNDHSDCD-UHFFFAOYSA-N	409.511	4.559	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc2cc(Br)ccc2o1	748722376	SSMYNIYFVZZMAO-UHFFFAOYSA-N	410.611	4.514	50	20	HJGD	
Cc1nc(-c2ccc([C@H](C)NC(=O)NNC(=O)c3cc4ccccc4o3)cc2)cs1	749552584	PFJFWVKFJDKZPY-ZDUSSCGKSA-N	420.494	4.570	50	20	HJGD	
COc1cc(C)c(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1OC	751522586	QMHHFUDJRKBCAA-UHFFFAOYSA-N	415.449	4.584	50	20	HJGD	
CC(C)c1ccc(C2(O)CCC(=NNC(=O)c3ccc4ccccc4n3)CC2)cc1	753922572	VUKDAPRQEWDXHC-UHFFFAOYSA-N	401.510	4.906	50	20	HJGD	
O=C(CSc1cc(Cl)ccc1Cl)NNc1nc(C(F)(F)F)cs1	755859867	NVIVVXBDBJKRME-UHFFFAOYSA-N	402.250	4.704	50	20	HJGD	
C/C(=C\c1ccccc1)CN(C)C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	756576619	XTBYKJIHXKWRGL-YLTNTEMUSA-N	417.553	4.753	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2sc(C)nc2CC(C)C)c1C	760835693	HVYFKGDLGXRUOG-SMLKNPDNSA-N	414.575	4.821	50	20	HJGD	
COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762457815	VSBJGWBEBPWTHE-UHFFFAOYSA-N	417.377	4.931	50	20	HJGD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c(C)c1	762675212	VPBNAGAAVNXMIF-UHFFFAOYSA-N	424.391	4.916	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1cccc(-n2cccc2)c1	766260027	NAIPHERHOHKPLB-UHFFFAOYSA-N	423.687	4.519	50	20	HJGD	
Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1NC(=O)CCN(C)C	767294610	FFVDKEZOWAXCDB-QGZVFWFLSA-N	409.621	4.538	50	20	HJGD	
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NNc2nc3ccccc3s2)c1	770027601	WOJABVARJZBLOC-UHFFFAOYSA-N	417.922	4.579	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(Br)c(Cl)c1	779207268	NMEYYOJGALXLIF-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
O=C(/C=C\c1ccccc1OC(F)(F)F)NNc1ccccc1OC(F)(F)F	779208901	GDXBWOBRXFFORL-KTKRTIGZSA-N	406.282	4.640	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1	782118831	YFCUUVYUVSKHPG-MRVPVSSYSA-N	412.302	4.693	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2cc(C)c3ncccc3c2)cc(OCC)c1OCC	783777941	NWTJSVNJWQPCKC-UHFFFAOYSA-N	421.497	4.503	50	20	HJGD	
COC[C@@H](OC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C)c1nccs1	785548024	YOFSLMRLAVTGLK-JKALPCAWSA-N	413.543	4.905	50	20	HJGD	
CC(C)N(C(=O)COC(=O)/C(C#N)=C/C1CC1)c1ccc(Nc2ccccc2)cc1	786668398	FQOKNAFEWWXFGQ-XMHGGMMESA-N	403.482	4.575	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c(-c2ccncc2)n1	788357450	ZRBJRWAAOZDIGV-GDNBJRDFSA-N	400.442	4.672	50	20	HJGD	
COc1cc(-c2cc(C(=O)NN=CCC(C)C)c3ccccc3n2)cc(OC)c1OC	793139524	HHIHKVDRROEHSO-UHFFFAOYSA-N	421.497	4.689	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCC(CNC(=O)OC(C)(C)C)CC3)cc2C1	794883049	WDIOGERBDUYNHM-MLCCFXAWSA-N	419.591	4.674	50	20	HJGD	
CC(C)CCC[C@H](C)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	797612207	UDNPDAOAPAMMKG-SLOMDMAXSA-N	403.530	4.702	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1	799843342	VLAZMYZNPDIGKV-UHFFFAOYSA-N	410.543	4.546	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(F)c(C(F)(F)F)cc1F	804629307	NSHJYXMXQNAXKK-UHFFFAOYSA-N	417.403	4.738	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3c(C)nn(C)c3Cl)c3ccccc3n2)cc1	812487057	SOKGVGKQHAWADC-UHFFFAOYSA-N	417.900	4.669	50	20	HJGD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NNc1c(F)cc(F)cc1Br	814315925	RPLDEBULZIPHAE-UHFFFAOYSA-N	414.637	4.548	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)CC(Cl)Cl)cc12	816628697	GYDKFDXTGBPYDF-UHFFFAOYSA-N	416.761	4.984	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2OC(F)F)c(C)n1CC(C)C	833405423	BERNDNJITOVWMN-GRSHGNNSSA-N	401.457	4.586	50	20	HJGD	
CC(C)c1ccc([C@H](NC(=O)NNc2ccc(Cl)nn2)c2cccs2)cc1	916205632	IJQOINOXRTUAFV-SFHVURJKSA-N	401.923	4.731	50	20	HJGD	
CC(C)CCn1nc(C(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)c2ccccc2c1=O	916334184	DZVVVDAXRBJEBJ-MSOLQXFVSA-N	408.546	4.519	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cnn(-c3ccc(Br)cc3)c2)c(C)c1	917145201	OASQVPMOBYKLEA-YVLHZVERSA-N	421.298	4.797	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccnn2[C@H](C)CC(C)C)c1C	917667513	AMUNRLVVIPGZKF-YAHSPCSVSA-N	411.550	4.662	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCN2CCCC[C@@H]12	918215317	BWWOZEQVFPFVIO-ZLDLUXBVSA-N	407.889	4.654	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	921036417	LEXVXVHHFYZLEE-GOEBONIOSA-N	400.560	4.621	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)c1C	934899776	GAXDQXJYSZIRJB-WQRHYEAKSA-N	424.888	4.869	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@H]2OCCC[C@@H]2C1	1190012077	YPSNIMHMZBSPRN-RISCZKNCSA-N	407.426	4.534	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1Cl	1317786128	BNLRQLRFGZKJME-NRFANRHFSA-N	406.869	4.860	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNc1ccc(C(C)(C)C)nn1)oc1ccccc12	1318682327	FIURDHLHJYDTSS-UHFFFAOYSA-N	405.458	4.831	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@H](Br)C(C)(C)C)ccc1F	1320279068	FQQSWVUXCOHPMW-ZDUSSCGKSA-N	403.292	4.921	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](CC)N(CC)CC)CCC2)cc1	1786442284	FIXUTQPIHIXLGY-UXHICEINSA-N	422.013	4.648	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccnn3C(C)C)cc2)CCC1	1789796933	AVCVOMGQFLBUSS-SFHVURJKSA-N	416.953	4.619	50	20	HJGD	
C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1)c1ccccc1	1824015109	PDVULGHQLLJPJL-NQIIRXRSSA-N	419.009	4.675	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C)CC1	1824617323	ROYGFBAQZZTNAM-RTWAWAEBSA-N	404.982	4.636	50	20	HJGD	
CC(C)(C)[S@@](=O)N[C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1	2048541351	PLMGVQHFPQCELA-NEKDWFFYSA-N	409.535	4.912	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)c2ccco2)cc1OCC	8200584	ZDADMCQKDCULEQ-NTEUORMPSA-N	402.244	4.795	50	20	HJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC	23739848	ADZHSZBOAJDWTK-XMHGGMMESA-N	421.497	4.768	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1ccc(Br)cc1Cl	195661293	NJNAWZLVFVMRMW-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2CN(CC)CC)c1C	302761023	JAERFILDSHCLGV-IWIPYMOSSA-N	406.574	4.580	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cn1)c1ccccc1	728716325	LSMAXUXPAVVDIC-AWEZNQCLSA-N	401.388	4.997	50	20	HJGD	
Cc1cc(C)cc([C@@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1	730553985	UMZCACXPTOSKDL-QKYYUXOMSA-N	423.520	4.865	50	20	HJGD	
O=C(Cc1cccc2cccnc12)NNc1ccc(Br)cc1C(F)(F)F	731478532	MAOHTJDQVBGOJM-UHFFFAOYSA-N	424.220	4.702	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNc2ccc(Br)nc2)cc1OC	732837663	QMLIGGCQOBQGJT-UHFFFAOYSA-N	422.323	4.569	50	20	HJGD	
CC[C@@H]1c2ccccc2CCN1C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	733943421	TXHZNCYUCSEIMI-MVAYWZPZSA-N	405.542	4.755	50	20	HJGD	
C[C@H](NC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1nc2ccccc2s1	734175688	APCVPZAJWHRAMB-QMMMGPOBSA-N	415.828	4.751	50	20	HJGD	
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1	735477118	LLBMNDQEKGUERD-AEFFLSMTSA-N	422.616	4.647	50	20	HJGD	
N#C/C(=C\c1cnc2ccc(Br)cn12)C(=O)c1c[nH]c2cc(F)ccc12	740765410	YXVINRKTBSHPES-VZUCSPMQSA-N	409.218	4.507	50	20	HJGD	
CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	741102576	CXEAADZKLIPPQC-BWACUDIHSA-N	422.900	4.929	50	20	HJGD	
O=C(NN=Cc1ccccc1OCc1cn2ccccc2n1)c1cccc2ccccc12	741462747	OEKHEANEAQAXBR-UHFFFAOYSA-N	420.472	4.830	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=C(C)c2cccc(OC(F)F)c2)cc1Cl	741768977	FETMUWJMZYLBML-UHFFFAOYSA-N	413.808	4.504	50	20	HJGD	
CC(C)=CCSc1ccccc1C(=O)NNC(=O)c1cccc(Br)c1	742770485	ZXKWHHTVOWDWJV-UHFFFAOYSA-N	419.344	4.582	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(Br)cc1Cl)c1ccc2c(c1)COC2	743442127	VWPUUTSSCKHUAB-UHFFFAOYSA-N	408.683	4.678	50	20	HJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)[C@H]1CCCN(c2ccccc2)C1	746462952	ZQOXZEADBAWNGG-DEOSSOPVSA-N	418.521	4.601	50	20	HJGD	
Cc1ccc(-c2ncc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])s2)c(C)c1	747154733	KOZQFNMBHHRKOQ-UHFFFAOYSA-N	402.863	4.745	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc3c(c2)CC(=O)N3)c(C)n1CCC(C)C	748505799	BEJOBRVOTBSNTG-AIRTYWKNSA-N	419.525	4.857	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Br)cc2C)ccc1OC1CCCC1	748754709	XYLZKXGKNQOLDK-UHFFFAOYSA-N	419.319	4.844	50	20	HJGD	
CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	750264847	MCLMSXQXTQIYEA-WFASDCNBSA-N	408.873	4.539	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(c3ncc[nH]3)CC2)c(C)n1C1CCCCC1	751411415	LKQCQTGRTUEIPN-QNGOZBTKSA-N	405.546	4.646	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ncoc1-c1cccc(C(F)(F)F)c1	753415358	DXCKBVMQGXDIKL-UHFFFAOYSA-N	404.373	4.727	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(F)c(C#N)c1Cl	761390605	DNTCUDPZYRVYMZ-SDQBBNPISA-N	404.228	4.867	50	20	HJGD	
CCSCc1ccnc(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)c1	761964378	JEUPNVFMEMWISI-YODDIOPGSA-N	412.559	4.506	50	20	HJGD	
C[C@@H]1SCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1C	762658560	MXWJYUYRIJUHKC-ZJUUUORDSA-N	404.426	4.635	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	766675393	NRBCTPCTIBOCLG-UHFFFAOYSA-N	400.385	4.533	50	20	HJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2ccc(C(F)(F)F)cn2)cs1	775249433	PMGBYYZUCCVWQP-UHFFFAOYSA-N	424.473	4.915	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(-c2ccc3c(c2)OCCO3)s1	775269343	JRQAHKGRQDMLHV-UHFFFAOYSA-N	422.293	4.645	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cccc(CSc2ccccn2)c1	775588589	JEMDVVJCHWKOPI-UHFFFAOYSA-N	419.432	4.936	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)NNc2c(F)cccc2F)cc1	775652899	LNMYAVNTODYIRG-LBPRGKRZSA-N	406.433	4.699	50	20	HJGD	
CC(C)C1(C)CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1	779225233	PZHXASJTNGPVPQ-PGMHBOJBSA-N	415.541	4.655	50	20	HJGD	
O=S(=O)(CCCCCl)NC1(c2noc(C3CCCCC3)n2)CCCCCC1	780819244	SNQJURUHFFZYCG-UHFFFAOYSA-N	418.003	4.605	50	20	HJGD	
COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)C3CCCC3)cc2OC)cc1	781555500	JYHRXOYNZNGVTG-UYRXBGFRSA-N	405.450	4.589	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1cccc([N+](=O)[O-])c1	782016898	KLGBYSRZKJOGNF-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782822299	ZARMQSBPMXZCQP-UHFFFAOYSA-N	421.472	4.811	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(c2ccccc2Br)CC1	784259865	HOWNRIJVCVAECQ-UHFFFAOYSA-N	424.770	4.521	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C(=O)Nc1ccccc1-c1ccccc1	785170129	BHHXEBOVCSGFKM-UHFFFAOYSA-N	417.362	4.593	50	20	HJGD	
N#C/C(=C\c1ccccc1OCc1ccccn1)C(=O)NCc1cccc(Cl)c1	786044611	PTHNYULTSUMFGL-CPNJWEJPSA-N	403.869	4.537	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccc2nc(Cc3ccccc3)oc2c1	790514007	SWDVXFFXGOVBLP-UHFFFAOYSA-N	421.388	4.615	50	20	HJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3ccc(F)c(F)c3F)s2)cc1	792259487	PGFHUDZOPNLFMJ-UHFFFAOYSA-N	421.444	4.945	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c(-c2ccnn2C)c1	801648600	WOSJHEVZNZCCPK-FOWTUZBSSA-N	421.298	4.704	50	20	HJGD	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NNC(=O)Nc2ccccc2)cc1	801984967	QIDHJBVACNQZLY-UHFFFAOYSA-N	422.510	4.590	50	20	HJGD	
Cc1ccc(F)c(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1F	804207504	RSBJEMPGNXDPBN-UHFFFAOYSA-N	408.330	4.506	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)c(OC)cc2Cl)c1C	809203740	GUCQEOHCCFZIJX-QJVAEYLJSA-N	415.921	4.828	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2nc3ccccc3[nH]2)cs1	810794413	SSJAHTLHEIKRBU-UHFFFAOYSA-N	409.490	4.555	50	20	HJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	811688467	XVEYKRLCEVUAIZ-MLPAPPSSSA-N	417.657	4.893	50	20	HJGD	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NNc1cccc(Cl)n1	817004823	RKDRVGWBWAYRCG-UHFFFAOYSA-N	422.872	4.829	50	20	HJGD	
CCSc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1	817015476	DMXAXHLNIDTYSS-UHFFFAOYSA-N	409.355	4.988	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2Cl)c1C	914477878	DOZFJHJSZVRRBY-RMNBPEERSA-N	420.340	4.843	50	20	HJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1	915855221	CXOAHEBJWUGABW-CPNJWEJPSA-N	409.917	4.846	50	20	HJGD	
O=C(NN=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(O)cc1	916267293	HGVKVPXNYQERCA-UHFFFAOYSA-N	411.801	4.510	50	20	HJGD	
Cc1noc(C)c1C=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	916287216	BJHJFOBMBXCTRC-UHFFFAOYSA-N	422.535	4.957	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1	916998037	HTQRYZXADHZOOL-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3csc([N+](=O)[O-])c3)n2)cc1	917142381	BNGIZSYEZGZATL-VIZOYTHASA-N	410.480	4.888	50	20	HJGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	918233632	JTOGYUAUICZWRP-GOSISDBHSA-N	424.504	4.915	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1C	918656323	MFWBUEAAVDLNAO-UDWIEESQSA-N	402.502	4.544	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc2ccc(C(F)(F)F)cc2[nH]1	1341587941	QZIDFIPLWFEECW-UHFFFAOYSA-N	416.172	4.845	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccnc(Cl)c3)cc2)CCC1	1787385950	PEAVZKXEIKBKAK-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1	1787626739	GDCACXUWFFUVHS-GOSISDBHSA-N	421.379	4.874	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4[nH]ccc4s3)cc2)CCC1	1789102418	GTEFYRKLYLTHJD-OAHLLOKOSA-N	415.946	4.995	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Cl)cccc1Cl)C2	1793682401	VEPIRBQMOZFQIA-OQMKEHIESA-N	417.764	4.653	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C)CC1	1824617321	ROYGFBAQZZTNAM-LEWJYISDSA-N	404.982	4.636	50	20	HJGD	
CC(C)[C@H]1COC([C@@H]2Cc3ccccc3N2P(c2ccccc2)c2ccccc2)=N1	207885217	PGYOETJPACPKCA-NOZRDPDXSA-N	414.489	4.919	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	303514692	DADZRDVSDSUNKV-UHFFFAOYSA-N	419.312	4.618	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cc1	727733166	AMNBBIRSBMSZQB-GDNBJRDFSA-N	410.886	4.803	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)NCc1ccc(Cl)cc1	729307146	JKDJZYVOYYXKSY-XJKSGUPXSA-N	401.981	4.602	50	20	HJGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)cc1OCC	730436827	MNZQOBCEUPOGGI-UVTDQMKNSA-N	416.296	4.711	50	20	HJGD	
CCC(CC)(C(=O)NNc1nc(-c2cccnc2)no1)c1ccc(Cl)c(Cl)c1	732110952	UWGFWYZEVQMFFD-UHFFFAOYSA-N	420.300	4.640	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)[C@@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2	735685889	DSBSOVABLDBCKO-QQMNAOGKSA-N	406.917	4.775	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CCc2ccccn2)c(C)n1-c1cccc(Cl)c1	742389256	JJLBCLPZZAYZNT-ZHZULCJRSA-N	418.928	4.751	50	20	HJGD	
N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)c1ccc2ccccc2n1	742432725	GBEYKGCDDUHRGV-OQLLNIDSSA-N	409.239	4.525	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(Cl)c(C(F)(F)F)c1	746821392	JITQONZCEWACKZ-UHFFFAOYSA-N	408.232	4.644	50	20	HJGD	
CC(C)OCc1c(C(=O)NNc2ccccc2Br)oc2ccccc12	748065729	BFLSYRODUXTRKS-UHFFFAOYSA-N	403.276	4.877	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c1	748402633	OSEZQDMMBTXVBI-UHFFFAOYSA-N	400.548	4.572	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1	751946329	YQQZBJGWRLOFOD-POUQMFDLSA-N	405.256	4.640	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H](c1ccccc1)C1CCOCC1	754650005	IMKSUWFIAAJIMV-GOSISDBHSA-N	411.399	4.639	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2SC)c1C	756996676	KTHAGJOUDXTHHU-BYINCCNUSA-N	411.571	4.566	50	20	HJGD	
CSCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	759352191	OJKNURUJODBIHJ-GUBQRQEFSA-N	409.555	4.693	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1cc(Cl)ccc1OCc1cccnc1	763694673	IFADYMDOQSPROY-ZDLGFXPLSA-N	420.852	4.670	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cc(C)cc(Cl)c3)cc2)cc1	764320179	KXLJZUWOEHGLNC-UHFFFAOYSA-N	414.914	4.547	50	20	HJGD	
CCCc1c(C(=O)NNc2cccc(Br)c2)cnn1-c1cccc(C)c1	768093949	UNCNREUBHXAPNC-UHFFFAOYSA-N	413.319	4.653	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1	771713600	KKDZCTZYDPSHTP-UHFFFAOYSA-N	405.882	4.509	50	20	HJGD	
O=C(O)c1cccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	776531345	MBBYXPCMFJUXEQ-UHFFFAOYSA-N	417.377	4.521	50	20	HJGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	776722764	WFHFKRHJVYSYMF-KGVSQERTSA-N	415.833	4.559	50	20	HJGD	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(C(F)(F)F)n1	777524373	URUPCAOSIKGZNN-UHFFFAOYSA-N	414.409	4.658	50	20	HJGD	
O=[N+]([O-])c1cccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777913944	ZHAGXNLDLSMZGT-UHFFFAOYSA-N	418.365	4.731	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1	783336619	QZRRTYNMGKUQBX-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
Cc1noc(C2CC2)c1C(=O)NNc1c(Cl)cc(Br)cc1Cl	784049841	RSVIAJOXBVLTFK-UHFFFAOYSA-N	405.079	4.687	50	20	HJGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1	784780029	SGOBKIZEWGDETH-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1cc2sc(Nc3ccccc3)nc2s1	805464813	NCCTUIODLCTJOW-UHFFFAOYSA-N	422.539	4.916	50	20	HJGD	
O=S(=O)(Nc1cccc2nc(O)[nH]c12)c1ccc(S(F)(F)(F)(F)F)cc1	811718781	XPMYWOCFYHBWPB-UHFFFAOYSA-N	415.365	4.727	50	20	HJGD	
C[C@H](CC(=O)NNc1cccc2cnccc12)c1ccc(F)c(Br)c1	812538749	VHIKBZKDOIWSBF-GFCCVEGCSA-N	402.267	4.773	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1C	812723474	GHVYOBXWEBXVDI-UHFFFAOYSA-N	409.511	4.669	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1	812766622	SYDBXFBWHXNIMY-UHFFFAOYSA-N	409.408	4.986	50	20	HJGD	
O=C(NN=Cc1cccnc1Cl)c1ccc(CSc2nc3ccccc3[nH]2)cc1	814698661	NIYBTYVYWUZWQE-UHFFFAOYSA-N	421.913	4.668	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Sc3nccn3C)cc2)c1C	824583794	QXJQHAWEXYNKDC-XMHGGMMESA-N	419.554	4.945	50	20	HJGD	
Cc1cc(C)n(CCCNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	912616738	NJZMFMMQLPHDLS-PXLXIMEGSA-N	407.562	4.537	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1C	914512178	KHVHYXOSGIMZFR-GJISQHIDSA-N	417.553	4.727	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccccc2OCC(=O)N2CCCC2)cc1	915862774	XUFZHGJHZIYPOY-PGMHBOJBSA-N	416.521	4.775	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1	915982596	NQBNAFGQESZPHL-COYFKBPASA-N	410.399	4.675	50	20	HJGD	
CCOc1cc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)cc(Cl)c1O	916349527	OICKTMKDGAOLBH-UHFFFAOYSA-N	415.902	4.640	50	20	HJGD	
CCCCn1nc(C(=O)NN=C(CCc2ccccc2)C(C)C)c2ccccc2c1=O	917538086	JLFHMEHFWRULKW-UHFFFAOYSA-N	418.541	4.571	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccco2)CC(F)(F)F)c(C)n1CC(C)C	918555210	CXRMNDQAPZCHGD-NVMNQCDNSA-N	407.436	4.852	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCc3c(Cl)cccc32)c1C	919873352	OIGGGTZAOJGVTA-AOYOQBIZSA-N	411.933	4.676	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	920047866	WZINEAFNRGYWLZ-KRWDZBQOSA-N	402.863	4.725	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1O	920068197	LKOFTQNSTHTWPE-MLPAPPSSSA-N	411.255	4.743	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1c[nH]c2ccccc12	1115814521	ZYYWBBSWCYAEHP-UHFFFAOYSA-N	408.801	4.753	50	20	HJGD	
CCN(c1ccccc1)c1ccc(CNC(=O)NNC(=O)c2ccccc2Cl)cc1	1318971044	ZVXKAHSVMOWNEI-UHFFFAOYSA-N	422.916	4.642	50	20	HJGD	
CCOc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](Cl)CC)cc3)CCC2)c1	1790489990	OYSWDGAQOZWHCT-FQEVSTJZSA-N	414.933	4.850	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1	1815322364	OWKLNLGRQMAISV-RDJZCZTQSA-N	423.344	4.777	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1	1822957927	IPJWJRCRIGJDQL-IBQBPIARSA-N	420.985	4.780	50	20	HJGD	
Cc1ccc(SCc2cccc(C(=O)NNC(=S)NC(C)(C)C)c2)c(C)c1	8302074	XYTLMSPUDVSSHU-UHFFFAOYSA-N	401.601	4.503	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2Cl)c1C	21969861	NBKOFPOTSIPWMC-LDADJPATSA-N	413.905	4.647	50	20	HJGD	
O=C(COc1ccc(Cl)c2ccccc12)NNC(=O)c1ccc(Cl)cc1Cl	23795950	MQIPCHNWRDINEG-UHFFFAOYSA-N	423.683	4.640	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1C	145051900	FGPCUXNTDMTPPU-PDOIYDAMSA-N	405.542	4.706	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)c1ccccc1Oc1ccccc1	725874630	HDGMPCLTIBZMHE-OAHLLOKOSA-N	421.522	4.734	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2-n2ccnc2)c(C)n1CCC(C)C	725890073	JPEMRPIIEULMDZ-OEAKJJBVSA-N	415.541	4.560	50	20	HJGD	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NNC(=O)c2c(Cl)cccc2Cl)c1	727792307	PCTXGQDJDAGQAP-CYBMUJFWSA-N	409.313	4.654	50	20	HJGD	
O=C(CCc1ccc(Cl)cc1Cl)NNC(=O)c1c(Cl)cccc1Cl	727794534	MJHYSMHJFNXXAI-UHFFFAOYSA-N	406.096	4.694	50	20	HJGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1csc(-c2csc(C)n2)c1	729144053	QNYKHHPBCBJIAI-GFCCVEGCSA-N	403.504	4.627	50	20	HJGD	
Cc1nc(SCC(=O)/C(C#N)=C2/Nc3ccccc3N2C)n(C2CCCCC2)c1C	729721900	YKRNBLCYOWAKKU-PYCFMQQDSA-N	421.570	4.963	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2occc2C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1	730952535	YQOGUKPAYXFULW-PTNGSMBKSA-N	422.824	4.756	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(OCc2occc2C(=O)O)cc1	730952590	ZRCITPVKHTYFFJ-PDGQHHTCSA-N	416.433	4.719	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc([S@@](C)=O)c2)c1C	732122358	CGKPDCJRVBIGFW-OITFCYKPSA-N	417.534	4.686	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1C	735702887	RNVWBKHXMRXIHB-JFLJCTNNSA-N	420.340	4.579	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(c2cccc(F)c2)C2CCOCC2)c1C	740689893	CSIUFTNJBFELCW-ZHZULCJRSA-N	409.505	4.773	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OCC2CC2)c(C)n1C[C@@H]1CCCO1	740808734	IYIVAGTWOVZXIB-JFLYLQGUSA-N	419.525	4.618	50	20	HJGD	
CCCCCOc1ccc([C@H](C)NC(=O)NNc2ccc(Cl)nc2)cc1OC	745511432	CJAIDDGXKDSSIY-AWEZNQCLSA-N	406.914	4.700	50	20	HJGD	
COc1sc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cc1Br	746521082	CVQLZRICRYFENH-KPKJPENVSA-N	402.273	4.942	50	20	HJGD	
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NNc2ccccc2F)c1	748050332	BJGKJABIERTNDI-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cc(C2CC2)nc2ccc(Cl)cc12	751380362	MQLRPBKZDSNGNJ-UHFFFAOYSA-N	405.845	4.573	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1	751782543	VINVJSJKKUCKSD-HKWRFOASSA-N	411.436	4.574	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccc(C#N)c(Cl)c2)cc1OCC	753306835	UYQRJHNXCMABOG-UHFFFAOYSA-N	408.285	4.809	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNc3cccnc3Cl)cc12	754480358	NBEVGHIRDVPZDD-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
N#C/C(=C/c1cccc2c1OCCCO2)c1ccc([N+](=O)[O-])cc1Br	765613520	MYAGNFZCQNTHJW-LCYFTJDESA-N	401.216	4.583	50	20	HJGD	
O=C(NCc1csc(-c2ccco2)n1)NNc1c(Cl)cc(F)cc1Cl	768098617	LKKRLBQYKKJWSR-UHFFFAOYSA-N	401.250	4.675	50	20	HJGD	
CCCCOc1cc(OC)ccc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	769604656	DMFJGDBKRHDZRX-UHFFFAOYSA-N	407.392	4.521	50	20	HJGD	
C[C@H](CCCCC(=O)O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776560539	ATHFPOBHVNUFKK-SNVBAGLBSA-N	411.414	4.656	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(n2cccn2)CC1	782978118	DMZKQJCYNCOWIC-UHFFFAOYSA-N	417.425	4.566	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cc3ccccc3o2)c1C	785615462	KYBBYQSOFDNDKZ-OXUKKPJISA-N	405.498	4.843	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(OC)c1)c1ccccc1	787146329	WNRKYTPYGDDVHD-ZKTNYTPDSA-N	418.415	4.811	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1	787572624	PVLPRDBHSVHUEO-VWOYCULZSA-N	416.456	4.582	50	20	HJGD	
Cc1ccc(C(=O)NNc2nnc(-c3ccccn3)s2)c(Sc2ccccc2)c1	788566794	IXOJAWOUXBHEKU-UHFFFAOYSA-N	419.535	4.817	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)ccc1Cl	788628924	XZARWOUXMPTDKP-UHFFFAOYSA-N	417.828	4.564	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ncc(C(C)(C)C)s2)c1C	790885024	AZSWUELKJUDETN-QJVAEYLJSA-N	415.559	4.717	50	20	HJGD	
CCc1ccc([C@H]2CN(CCP(=O)(c3ccccc3)c3ccccc3)CCO2)cc1	792362076	JPZSFQFJEMUGKG-AREMUKBSSA-N	419.505	4.636	50	20	HJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1c(F)cc(F)cc1Br	793561301	KOZXXVSMQKKJSU-UHFFFAOYSA-N	422.229	4.702	50	20	HJGD	
C[C@@H](c1ccccc1)[C@H](NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C(N)=O	794716067	ATEUJFXJUSEIMR-AVRDEDQJSA-N	412.650	4.956	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCOC[C@H]1[C@H]1CCCO1	806401287	JGVWZNZRWBADFR-UONOGXRCSA-N	402.385	4.756	50	20	HJGD	
O=C(NN=C1CC(c2ccc(Br)cc2)C1)c1cccc(OC(F)F)c1	814835172	JUPJBECOKPDAJF-UHFFFAOYSA-N	409.230	4.714	50	20	HJGD	
Cc1c(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)sc2ccc(C#N)cc12	815588001	AEWMMVRMGQVVGH-UHFFFAOYSA-N	409.858	4.542	50	20	HJGD	
O=C(CC1CC1)NNC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	819114566	LXJOXXNXXASVNZ-UHFFFAOYSA-N	414.914	4.940	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c1	841460788	ODCFEVGXGNULEC-UHFFFAOYSA-N	400.482	4.595	50	20	HJGD	
CCCCNC(=O)Cc1noc(/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	904255951	XNANSMAZXOWIHX-UYRXBGFRSA-N	409.534	4.516	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c3ccco3)c2C)cc1	914495980	PFFCHQTZUYOTDH-HJHGFDQJSA-N	403.482	4.822	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)c1ccc2c(c1)OCO2	915990491	UHWQSSRJTQPGQN-OQLLNIDSSA-N	404.403	4.842	50	20	HJGD	
O=C(NCCc1ccc(Cl)s1)NNc1nc(Cl)c(Cl)cc1Cl	916647621	JIFXTPFXAJKPHF-UHFFFAOYSA-N	400.118	4.626	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2F)c1C	917618594	CHXUQSAJVPGIAU-GZTJUZNOSA-N	407.420	4.927	50	20	HJGD	
CCCNC(=O)NNC(=O)c1cc(-c2ccc([C@H](C)CC)cc2)nc2ccccc12	921042450	VMNOAAOJMCWQTN-MRXNPFEDSA-N	404.514	4.769	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)nn1	1318639114	DONNEPLJAIXURD-FQEVSTJZSA-N	410.518	4.890	50	20	HJGD	
Cc1ccc(NNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1Cl	1322424703	ULYJCQAFFJDVHC-OAQYLSRUSA-N	407.901	4.653	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3C[C@H]3[C@@H]3C[C@H]3C)c2C)cc1	1638629524	RGUBDOUBVPBBTN-FXBRZNMYSA-N	403.526	4.561	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4n[nH]cc4c3)CCC2)cc1	1786443990	NPWXUVZDYKFPLO-IBGZPJMESA-N	424.932	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)[nH]n1	1820850947	KEIVHZGNTUBDNC-YOEHRIQHSA-N	423.344	4.695	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNC(=S)Nc1cccc(Cl)c1	8248187	NSJGKSQFTWGROL-UHFFFAOYSA-N	418.975	4.680	50	20	HJGD	
Cc1nnc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)n1-c1ccccc1	207283190	LSLHYXWKUBRKOQ-SFKFPXOQSA-N	419.535	4.578	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1OC	212174179	IFLXHTVKXTYWTF-SXGWCWSVSA-N	406.404	4.864	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	301219213	YPPPBRABCUXRRE-VDQHWBOFSA-N	417.269	4.882	50	20	HJGD	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1	302756725	RBADGIGOMAINOS-HXUWFJFHSA-N	414.509	4.800	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2ccccc2cc1NC(=O)C1CC1	302804684	SMXJSZCINLUVMM-UHFFFAOYSA-N	413.399	4.964	50	20	HJGD	
COc1cc(C(=O)NNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)ccc1OC(C)C	303770864	QPOGIJJSADAWQR-KRWDZBQOSA-N	412.530	4.561	50	20	HJGD	
CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NNC(=O)c1ccc(Cl)cc1Cl	729838276	SYKYEGBLQQEJLV-BIRHUZIMSA-N	407.297	4.645	50	20	HJGD	
O=C(NNC(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)c1ccccc1	730156693	JGSLHQLULDTKOT-LJQANCHMSA-N	415.276	4.575	50	20	HJGD	
CCc1nnc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)o1	732317516	OBHPXAYSLWUTBG-DAQNXSASSA-N	404.470	4.559	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c1C	734401345	DPNIEPSAWCITIH-VAACGYSUSA-N	417.962	4.593	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)c1C	738541685	DTTLHMTUOFTLCJ-INIZCTEOSA-N	403.530	4.916	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)cc1	743301056	RBUGHZPKDUBURZ-ACCUITESSA-N	423.460	4.525	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1c(Cl)cccc1Oc1ccccc1Cl	743415413	ZTOOORHKSCPAQB-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(F)cc([N+](=O)[O-])c1Br	748017575	CKZJMAKYRATJQV-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(OC(F)F)cc3)c(F)c2)cc1	748650426	FJGXCKNAZRQVQW-UHFFFAOYSA-N	402.372	4.860	50	20	HJGD	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NNc3cccc4cnccc34)ccc21	748763999	QKVWGLMLLCZPGU-UHFFFAOYSA-N	413.403	4.941	50	20	HJGD	
Cc1onc(-c2cccc(Br)c2)c1C(=O)NNc1ccc(Cl)c(F)c1	752148775	ZENULXTYLCFYKS-UHFFFAOYSA-N	424.657	4.962	50	20	HJGD	
O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)NNc1cc(C(F)(F)F)ccc1F	754572974	MDFJOIPFDJCADA-KBXCAEBGSA-N	411.399	4.639	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cn(-c4cccc(Cl)c4Cl)nn3)n2)cc1	754684550	ICARHGAQYHYNSO-ZROIWOOFSA-N	423.263	4.997	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H](c1ccccc1)c1cccc(F)c1	755179571	VGBFTLVNGIOWAO-QHCPKHFHSA-N	413.452	4.713	50	20	HJGD	
COc1ccccc1SCC(=O)NNC(=O)Nc1ccc(SC(C)(C)C)cc1	756316966	HMVNWTYOEYLKEN-UHFFFAOYSA-N	419.572	4.531	50	20	HJGD	
C[C@@H](CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1nccs1	758626043	PGMUQKSAVJFEOR-VIFPVBQESA-N	408.439	4.883	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)Nc1ccccc1SCC(F)(F)F	771105419	ULHQJXRRCSBTGL-UHFFFAOYSA-N	421.242	4.647	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cccc(Br)c1Cl	771674237	AOOGPZRGCMWHFK-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccnc(Oc2ccccc2)c1	771680849	MNFZUKOQQIHQRO-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccccc1Oc1cccnc1	771683336	ZRJMOALGOLFMPJ-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc(F)c(Cl)c1	773143252	CQGFXBBNUVSHEH-VZUCSPMQSA-N	409.598	4.940	50	20	HJGD	
COc1cc(/C=C(/C(=O)NNc2ccc(C#N)c(Cl)c2)c2ccccc2)ccc1O	773973371	DVOZZKHNNHUMTJ-YBFXNURJSA-N	419.868	4.610	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1cccc(C(F)(F)F)n1	778507256	YMRAEBRNVWDNNF-UHFFFAOYSA-N	414.359	4.567	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(-c2ccncc2)nc2ccccc12	779208809	BUBXYAVCYZAYGG-UHFFFAOYSA-N	424.382	4.952	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)cc1	782068462	CFJSPERBVNCNPU-YVLHZVERSA-N	405.479	4.636	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNc2ccc(Cl)c(OC)c2)c(C)c1	789796347	SWBSGZYQHZWEAK-ZDUSSCGKSA-N	421.950	4.629	50	20	HJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Br	794945110	FYWQWLMEQNJQPW-FMIVXFBMSA-N	413.206	4.746	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cnnn1-c1c(Cl)cccc1Cl	795338601	DVODRDKNKVHNIN-UHFFFAOYSA-N	417.083	4.638	50	20	HJGD	
Cc1nn(C(C)C)cc1C=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	799106059	UOWXPFQVRPIZQS-UHFFFAOYSA-N	415.472	4.891	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H]2C[C@@H](OCc3ccccc3)C2)c1C	802861377	HEQZYIUGNPRGOB-PRWOCJTASA-N	422.525	4.510	50	20	HJGD	
Cc1ccccc1C(NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1C	807112117	SPWZPUGUXIHNPU-UHFFFAOYSA-N	412.493	4.561	50	20	HJGD	
CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(CO[Si](C)(C)C(C)(C)C)cc3)[C@H]2C1	808783208	LXTQEUKGYSZWPQ-VABKMULXSA-N	416.682	4.945	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1C	813218845	UBOBNFZQVUYVND-YZIPPPLESA-N	400.404	4.712	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(F)cc2Br)sc2ccc(C#N)cc12	815851582	LYRPEFCIWUPKFE-UHFFFAOYSA-N	404.264	4.740	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1	817925720	NIEPVZALVJQOJH-UHFFFAOYSA-N	418.428	4.698	50	20	HJGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCC(c2nc3ccccc3s2)CC1	913849875	UQLGNUGZZWARJV-UHFFFAOYSA-N	406.960	4.603	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cc(Br)ccc2F)c1	915905649	ZMROTDZPNZDDTH-UHFFFAOYSA-N	407.283	4.549	50	20	HJGD	
C[C@H](Oc1cccc(Br)c1)C(=O)NN=Cc1cccc(Cl)c1Cl	916345248	WRYUJKRDAXABTN-JTQLQIEISA-N	416.102	4.674	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCCCC(=O)Nc1ccc(Cl)cc1	918353961	OZGRLAPLEKXUTJ-INIZCTEOSA-N	400.997	4.889	50	20	HJGD	
N#C/C(=C/c1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)Nc1ccc(F)cc1	920064974	AMRRLFQFWIIMGF-BENRWUELSA-N	401.228	4.864	50	20	HJGD	
COc1cc(Cl)c(Br)cc1C(=O)NNc1nc2ccccc2cc1C	1324604109	IYAUXWUEMHVTRQ-UHFFFAOYSA-N	420.694	4.725	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1	1820857467	XJOPJTFMMQUBDZ-JSGCOSHPSA-N	420.922	4.541	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1	1824619171	SLZKKKFILPBWIE-CWJKEVGVSA-N	411.030	4.840	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1	1830315080	VUDVEHJSPRZRNS-FGZHOGPDSA-N	416.993	4.815	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1	27353199	VFOLHOYGDWQZLZ-LICLKQGHSA-N	413.857	4.550	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3ccccn3)c2C)cc1	210340615	GLMMKZIMONVDSL-ZHZULCJRSA-N	401.466	4.538	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3oc(=O)n(C)c3c2)c(C)n1C1CCCCC1	261413578	TZNROXLCZAPEHI-PDGQHHTCSA-N	418.497	4.601	50	20	HJGD	
O=C(NNC(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1ccccc1	726495937	YEARMLHDHLPHBA-UHFFFAOYSA-N	420.852	4.740	50	20	HJGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1	726876178	JPTNZDDMPIQRRZ-SOFGYWHQSA-N	403.241	4.587	50	20	HJGD	
COc1ccc(O)c(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1	734015502	PBWGJDUTNFMPDB-UNOMPAQXSA-N	407.514	4.548	50	20	HJGD	
O=C(CCCCc1ccc(Br)cc1)NNc1nccc2sccc12	734248717	TUYHWORTDLIRLD-UHFFFAOYSA-N	404.333	4.915	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1	734305440	VJKFVINIGJHMFT-UNOMPAQXSA-N	404.901	4.674	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cc1	734815432	NAWDUDKOQLGJCR-CHLKZYANSA-N	410.539	4.678	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)c1C	744369398	HCTAQORTGMYUHE-YGUAGOKOSA-N	419.569	4.761	50	20	HJGD	
Cc1cc([C@@H](NC(=O)NNc2cncc(Cl)n2)c2ccccc2Cl)ccc1F	745856414	DQNINUGHBFRPEP-GOSISDBHSA-N	420.275	4.647	50	20	HJGD	
Cc1cccc(C(=O)NNc2cc(F)c(F)c(F)c2)c1NC(=O)c1ccccc1F	746703804	FVSDRJDYRCPFQJ-UHFFFAOYSA-N	417.362	4.561	50	20	HJGD	
CCCCCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC	747032951	APJYIAMALQXZFU-XMHGGMMESA-N	421.497	4.768	50	20	HJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2ccccc2Br)on1	748058656	TXYDMQPXWAKEBW-UHFFFAOYSA-N	418.316	4.795	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](Sc2ccccc2F)c2ccccc2)n1	748336164	SNSAOPJYBTYNED-GOSISDBHSA-N	402.882	4.554	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c(C)n1Cc1ccccc1	748502492	XXBNCNVVGKBIET-UHFFFAOYSA-N	403.404	4.809	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1	748667173	IYDLIMFPDMTHPK-FQEVSTJZSA-N	421.566	4.680	50	20	HJGD	
O=C(CSCc1ccc(Cl)cc1)NNc1ccc(OCC(F)(F)F)cc1	748694712	SAQKTIFNLRYCCW-UHFFFAOYSA-N	404.841	4.658	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H]2CCCc3c2cnn3C)c(C)n1C1CCCCC1	749164047	IFUPGIOWXBWZNJ-CBIIRDDDSA-N	419.573	4.787	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNc1cccc([N+](=O)[O-])c1	749259701	BUEURNPJRCBOOJ-UHFFFAOYSA-N	412.449	4.804	50	20	HJGD	
O=C(NCc1cccc(COCC(F)(F)F)c1)NNc1ccccc1C(F)(F)F	750447261	VYJDBWWLOJYSIS-UHFFFAOYSA-N	421.341	4.611	50	20	HJGD	
O=C(NNC(=O)c1sc2ccccc2c1Cl)Nc1cccc(-c2ncco2)c1	757769886	FHBVBUPEVQHQBG-UHFFFAOYSA-N	412.858	4.676	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1	759311478	WNTXTIPLZPRYNF-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNC(=S)Nc1cccc(Br)c1	759752880	PBZRUSRRMNLNKK-DHZHZOJOSA-N	424.751	4.524	50	20	HJGD	
Cn1c(C=NNC(=O)c2ccc(Cl)cc2Cl)nc2cc(C(F)(F)F)ccc21	760234125	DKBVLYQEGVHULP-UHFFFAOYSA-N	415.202	4.663	50	20	HJGD	
Cc1cc(C(=O)NNC(=S)Nc2ccccc2C(C)C)c(Br)s1	760837920	XDVAAUUDQKZBJY-UHFFFAOYSA-N	412.378	4.574	50	20	HJGD	
O=C(NCCC[C@H]1CCCCO1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762681092	MLJZCJAAAJAIOQ-CYBMUJFWSA-N	416.412	4.748	50	20	HJGD	
CC(C)(CCS(C)(=O)=O)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762975845	NDOHHUXKWUYREP-UHFFFAOYSA-N	410.430	4.679	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	768916140	SONZIDVZRRXVRF-POEBIKTISA-N	407.514	4.618	50	20	HJGD	
O=C(NNc1ncccc1Cl)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	769978556	OZVIWRLPKQLMNU-UHFFFAOYSA-N	416.268	4.789	50	20	HJGD	
O=C(NCc1cccc(NC(=O)c2ccccc2)c1)NNc1c(F)cccc1Cl	771288341	GLCHWPAKXLUAQP-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
COc1cccc(CCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	772888565	GXFHAHQIIFNLDQ-UHFFFAOYSA-N	424.391	4.650	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	774121512	RKDZJAJHKJDBCS-GHRIWEEISA-N	424.909	4.832	50	20	HJGD	
COc1ccc2nc(NNC(=O)[C@@H](C)c3ccc(Br)s3)c(C)cc2c1	778479059	QMIGWJVRIZMRNP-NSHDSACASA-N	420.332	4.623	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(Cl)cn2)c1C	781709110	XTHJNSIAUJSIAQ-BEQMQENASA-N	401.894	4.572	50	20	HJGD	
O=S(=O)(N[C@@H]1COc2ccccc2C1)c1ccc(S(F)(F)(F)(F)F)cc1	782981768	CJRNOFSNBASPJM-LBPRGKRZSA-N	415.405	4.626	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	785202275	SAWIUZAANIXYCV-WNIKWDQDSA-N	408.317	4.758	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	787423504	DMZMCAZYFJXLII-HUCUOGIVSA-N	403.507	4.951	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)c(-c2ccccc2)n1	788356368	VZYOXZXQMPTCIO-AQTBWJFISA-N	418.403	4.855	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C	790920206	XFRHIPURDLKGQX-UHFFFAOYSA-N	420.513	4.966	50	20	HJGD	
CC1(C(=O)NNc2ccccc2Cl)CCN(c2ccc(Cl)cc2C#N)CC1	804468654	UUHDCHUQTOUEPE-UHFFFAOYSA-N	403.313	4.615	50	20	HJGD	
Cc1csc(SCc2c(C(=O)NNc3cccc(F)n3)oc3ccccc23)n1	804773378	VUIOWKNLEAJXPQ-UHFFFAOYSA-N	414.487	4.781	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc(OC)c1OCC(F)F	809145749	FBROAAPMFCBSHU-PXNMLYILSA-N	401.409	4.754	50	20	HJGD	
CCc1nnc(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)s1	810153936	HKXRLKWYAPJKEB-GFCCVEGCSA-N	410.874	4.642	50	20	HJGD	
CC(C)n1nc(C(=O)NN=C2CCCC[C@@H]2C2=CCCCC2)c2ccccc2c1=O	814740493	VAWRZJBVXNRPHB-GOSISDBHSA-N	406.530	4.754	50	20	HJGD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)NNc3ccc(OCC)cc3)c12	817915560	NUHGITUBJFLCCC-UHFFFAOYSA-N	406.442	4.591	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc2c(s1)CCCCCC2	916142164	JOZJIZFAACSMAF-ZIAGYGMSSA-N	402.482	4.537	50	20	HJGD	
Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C(/C#N)C(=O)Nc1ccccc1	917145176	NKQDKVBGNGNKMH-VBKFSLOCSA-N	421.298	4.797	50	20	HJGD	
COCCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(C)c1	917744414	YDVIUMYGLZAALZ-BKUYFWCQSA-N	409.530	4.640	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1	919862101	GDVDJDAHGPSZIT-SILNSSARSA-N	417.509	4.693	50	20	HJGD	
CC[C@H](C)[C@@H](C)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	920015785	LQZHURQSSUQGAR-XZGFPNQCSA-N	409.921	4.575	50	20	HJGD	
CN(N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)OC(C)(C)C	920381090	KTGKBEUAELLYFM-UHFFFAOYSA-N	424.251	4.818	50	20	HJGD	
Cc1c([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cnn1C	1251798637	KFJSKRUIYRJYHO-RPJLVFAOSA-N	421.932	4.574	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cscc3OC)cc2)CCC1	1788829715	KROLOSPXIXSLMG-INIZCTEOSA-N	406.935	4.522	50	20	HJGD	
Cc1csc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Br)cc3)CCC2)c1	1791432484	XTMCJSUFOCXAMS-CYBMUJFWSA-N	421.360	4.588	50	20	HJGD	
CC[C@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)CCl)C2)c1ccccc1	1795567447	JTIMJRSEXWQQOG-RQUKQETFSA-N	419.009	4.720	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)[nH]n1	1815315000	RKOISGHOMQGOFZ-IEZWGBDMSA-N	420.916	4.520	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](Cl)CCC)CC1	1824610721	RFNLFUOSHAIKAK-LEWJYISDSA-N	409.014	4.782	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C(\C#N)C(=O)NC1CCCC1	14204635	MNPQFWIEFBRQKJ-XNTDXEJSSA-N	403.313	4.512	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)cc1OCc1ccccc1	33471960	MPQOUWVSWDDMEI-ZHZULCJRSA-N	400.482	4.656	50	20	HJGD	
N#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3ccccc3C(F)(F)F)cc2)cc1	254591781	BKCOLPZNOMEWAB-UHFFFAOYSA-N	423.394	4.773	50	20	HJGD	
CC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1sc(C)nc1C	726736764	SAMANCMDZACLMR-UHFFFAOYSA-N	404.948	4.878	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c2c(c1)C[C@H](C)O2	727744111	KAAQNEBDBUYDBK-IYVNWDGISA-N	402.372	4.583	50	20	HJGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NNc1ccc(F)c(F)c1F	727760062	TYTNMZYGKPRSMC-UHFFFAOYSA-N	407.417	4.758	50	20	HJGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1	730150566	BEXUTNUWNNTSRT-WOJGMQOQSA-N	404.495	4.786	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)C1CCC1	732143195	WJBRQLMXZDWUQM-QGZVFWFLSA-N	409.338	4.774	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3cccnc3)c(C)c2)cc1	732714466	UJFGQUTVEVFERI-CPNJWEJPSA-N	412.449	4.686	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2cnn(C(C)C)c2)c(C)n1-c1ccc(F)cc1	732749144	PVZXQUQHWRGFIR-LELXDKESSA-N	419.504	4.795	50	20	HJGD	
COC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C1	733177845	XQAMJPUJPVMWTC-HDOAHBKWSA-N	411.933	4.540	50	20	HJGD	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NNc1c(F)cccc1F	735692982	WBCAOORWHUSRRV-UHFFFAOYSA-N	409.845	4.719	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC2(C)COC2)c(C)n1-c1cccc(Cl)c1Cl	741819874	NWKJFOVPXCPWQH-PXNMLYILSA-N	419.308	4.888	50	20	HJGD	
COC(=O)c1cccc(-c2nc(COC(=O)/C(C#N)=C/c3ccc(C)cc3)cs2)c1	744501538	FCUPUZMJYPSMBM-VXLYETTFSA-N	418.474	4.556	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C)cc2)c1C)C1CCOCC1	746410047	MTPIUUKIDSKNOA-FCKOQQNDSA-N	405.542	4.631	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2ccc(OC(F)F)cc2)c(C)n1CCC(C)C	748638107	RFCPCGNLNNBPQJ-PDGQHHTCSA-N	416.472	4.803	50	20	HJGD	
COc1ccccc1/C=C(/C(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	748650550	LTNKJOBADGHQKL-HMMYKYKNSA-N	410.420	4.981	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2cccnc2)nc2ccccc12	748711215	SFHYALJDEVNMSD-UHFFFAOYSA-N	419.828	4.615	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1	752238000	MYSIISOCJKDICC-GHRIWEEISA-N	415.405	4.941	50	20	HJGD	
CN(Cc1ccccc1)Cc1cccc(C(=O)NNc2nc(C(F)(F)F)cs2)c1	755853027	PTGBMXPZTZHRJZ-UHFFFAOYSA-N	420.460	4.551	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3cnc(C4CCC4)s3)cc12	760224462	BMUOSQPDVQZRHU-UHFFFAOYSA-N	421.551	4.883	50	20	HJGD	
COC(=O)C1(NC(=O)CNc2cccc(S(F)(F)(F)(F)F)c2)CCCCC1	762534415	QNPUFHKKGUBJGF-UHFFFAOYSA-N	416.412	4.748	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)nc2)c1C	771469377	CGWPFXDVJIEGEF-TUTDSIAXSA-N	420.485	4.568	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc2ccc(Br)cc2n1	771520642	OMJPIQQHVFPANB-UVTDQMKNSA-N	408.255	4.552	50	20	HJGD	
N#C/C(=C/c1cc2c(cc1Br)OCO2)C(=O)c1ccc(Cl)cc1F	773148288	DIHOJRZYVUPUCB-KMKOMSMNSA-N	408.610	4.760	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	773490219	QZLKYTPCIHPRCF-UHFFFAOYSA-N	423.363	4.880	50	20	HJGD	
CN(Cc1ccccc1)Cc1cccc(C(=O)NNc2ncc(Cl)cc2Cl)c1	775263540	GHUJUTRYHNQSJN-UHFFFAOYSA-N	415.324	4.777	50	20	HJGD	
CCCc1nc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)s1	777033482	KOLNLEAOOHLAOM-XKYMITNMSA-N	400.548	4.575	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1C	777769337	ZGAVPBXJXPPFMX-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
Cn1ccc2cccc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)c21	788553835	OQPDQJKSDBYEGR-HMMYKYKNSA-N	420.476	4.501	50	20	HJGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c(Br)c1	789148492	PYKXFOYSOPEJPE-SDQBBNPISA-N	422.637	4.818	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2	791731093	LKVWYPHCKOWIOA-UHFFFAOYSA-N	423.250	4.703	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2SC)c1C	799404068	OQCGDSZWBVCMPW-KKQVRFOCSA-N	411.571	4.819	50	20	HJGD	
CO[C@H](C)c1nsc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	800990955	AEJNCZDQOSIKQY-QAEAHILHSA-N	413.547	4.715	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccc(F)cc3Br)cc2)n1	810681770	MZHDCOMUYLRRHQ-UHFFFAOYSA-N	421.295	4.854	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(C(C)(F)F)cc2)c1C	817462175	HTOUMOXCJBRBNJ-VBNMEBLOSA-N	415.484	4.647	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(Cl)cc2)cc1	866015526	PTZIKPTYVGFGOB-UHFFFAOYSA-N	418.884	4.958	50	20	HJGD	
Cn1cc(C(=O)NN=Cc2sc(Oc3ccccc3)nc2Cl)c2ccccc21	915956235	UISREUGSMLWXOL-UHFFFAOYSA-N	410.886	4.844	50	20	HJGD	
CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC	916359367	YFFHWQYBCZMFKU-UHFFFAOYSA-N	401.677	4.818	50	20	HJGD	
COc1ccc2cc(C(=O)NNc3c(F)cc(F)cc3Br)ccc2c1	1322075431	RZPNSOAIBBZVPY-UHFFFAOYSA-N	407.214	4.646	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C3(C(F)(F)F)CC3)cc2)CCC1	1789195188	QGTAEKOMNDUATQ-HNNXBMFYSA-N	416.871	4.871	50	20	HJGD	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](Br)CC)CCC2)cc1	1791254688	WETVEJKLIIZMPP-WMLDXEAASA-N	407.352	4.506	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C2	1793681574	WXBVEPKZJHOOBV-QKPAOTATSA-N	411.011	4.705	50	20	HJGD	
C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)C(C)(C)CCl)C2)CC1)c1ccccc1	1805266308	AWIDNRBQZOLZIN-IBGZPJMESA-N	419.009	4.676	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Cl)CC1	1830309181	GVDHIKGJLYLICL-PKOBYXMFSA-N	411.373	4.591	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2C)CC1	1831521363	CRIKQKKDRGZHMY-FCHUYYIVSA-N	419.009	4.565	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc4ccccc4c3)cc2)cc1	14687656	BPYYBFSGVIGYCG-UHFFFAOYSA-N	416.502	4.738	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2CC)c1C	24001576	SRRWQXZLXGBRFM-ALDSOSFCSA-N	407.514	4.555	50	20	HJGD	
Cc1cccc(NC(=O)CSCC(=O)NN(c2ccccc2)c2ccccc2)c1	301196964	LHOTVBLYYMVJTO-UHFFFAOYSA-N	405.523	4.536	50	20	HJGD	
O=S(=O)(NCc1ccnc(Oc2ccccc2)c1)c1ccc(CCCCl)cc1	726973926	ABKHSKLYGPOPNW-UHFFFAOYSA-N	416.930	4.524	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)CCCc1ccccc1	727689646	XUEPTQMCJHZSBY-UHFFFAOYSA-N	415.324	4.961	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNc1ccnc2cc(Cl)ccc12	729516210	SMEZALKHCXLBIA-UHFFFAOYSA-N	423.879	4.516	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2c(F)cccc2-n2cccn2)c(C)n1CC(C)C	730196063	AZWOMFKLXIPLON-UNOMPAQXSA-N	405.477	4.631	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c(OC(F)F)c1	734095615	DANDOIUKDJDTDW-GHXNOFRVSA-N	408.788	4.504	50	20	HJGD	
CCN1CCC[C@@H]1Cn1c(C)cc(C=NNC(=O)c2cccc3ccccc23)c1C	741462534	IUAQBINGPNZSEA-JOCHJYFZSA-N	402.542	4.506	50	20	HJGD	
C=CCOc1ccc(OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1	742862198	VBGIOLIXPJUXCG-CAPFRKAQSA-N	424.460	4.541	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1	742939667	ZZZKTZNXJIIZKG-VMOJBDSFSA-N	422.872	4.573	50	20	HJGD	
Cc1nc(-c2c[nH]c(C(=O)NNC(=O)Nc3ccc(-c4ccccc4)cc3)c2)cs1	743826464	ITDYHGQRHJZZOO-UHFFFAOYSA-N	417.494	4.580	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)c(Cl)c1	745645432	WGOHJVCWTIOUFA-QGZVFWFLSA-N	406.889	4.911	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c(C)n1C[C@H]1CCCO1	745773117	IZXYJPXHAMRACN-DEMKTBQOSA-N	417.553	4.801	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)[C@H](C)c1ccccc1	746872577	PUTMSNNADJUOSB-JFVMLZFZSA-N	423.520	4.679	50	20	HJGD	
Cc1ccc(-c2ncc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)s2)c(C)c1	747147978	KPLJPVIGIHMKBJ-UHFFFAOYSA-N	420.321	4.809	50	20	HJGD	
COC(=O)c1ccoc1CSc1ccccc1C(=O)NNc1ccccc1Cl	748317800	MWIJUEDIGRGLKF-UHFFFAOYSA-N	416.886	4.769	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccccc2C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1	748726508	HLKCVUIDCTVMGJ-UHFFFAOYSA-N	424.844	4.566	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@@H]([C@H]2CCOC2)C1	750282985	DNGHILOKWTYCIZ-XUJVJEKNSA-N	408.873	4.796	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)C2CCN(C)CC2)c(C)n1C1CCCCC1	754406569	PHHWVUWGPKRSBU-CCQQXMDGSA-N	410.606	4.706	50	20	HJGD	
Cc1nc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)no1	759511582	OXBSWDFGOMILMG-VEJKBTLKSA-N	410.861	4.650	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C3CCCCC3)nn2C)c1C	764162918	UXDIQLRAAUSRCA-CTPANLQCSA-N	423.561	4.639	50	20	HJGD	
CC(C)(C)C(=O)NCc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	767404371	BBOUZVVYEGDBHM-UHFFFAOYSA-N	412.292	4.552	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1OCC	768245057	ZJLMSRNTHNAQKD-UHFFFAOYSA-N	407.854	4.583	50	20	HJGD	
Cc1cc(/C(C#N)=C\c2ccc(OCc3occc3C(=O)O)cc2)ccc1[N+](=O)[O-]	774557889	GFJPTMXOSFZGNJ-BOPFTXTBSA-N	404.378	4.838	50	20	HJGD	
O=C(NN=Cc1ccc2cnccc2c1)c1cc(-c2ccncc2)nc2ccccc12	782119612	LTXWXFGIQJMQCL-UHFFFAOYSA-N	403.445	4.609	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	782569188	TXMRBDSARBYMKP-UONOGXRCSA-N	407.527	4.780	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2c2cccnc2)c(C)n1-c1ccc(F)cc1	783670977	UYDZCLZUKJMLKO-OBVMJLIASA-N	414.484	4.899	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	788148422	QJXMBYCXJUJXPY-PMACEKPBSA-N	421.428	4.560	50	20	HJGD	
C=C(CBr)COC(=O)c1csc(-c2cc(Br)cs2)n1	795462004	WJDJAGPJHWLTDJ-UHFFFAOYSA-N	423.151	4.742	50	20	HJGD	
CCCN(NC(=O)c1ccc(Sc2ccccc2Cl)nn1)C(=O)OC(C)(C)C	804594558	GOVBIQIVEKHLNH-UHFFFAOYSA-N	422.938	4.573	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cnc3c(F)cccc3c2)c1C	806086722	USMXKFSNPDQVNU-CTJICSLTSA-N	421.472	4.650	50	20	HJGD	
O=C(NC[C@H]1COc2ccccc21)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	808965930	NPKWUXFLNLXOGY-NSHDSACASA-N	422.375	4.575	50	20	HJGD	
COCCOCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	809147577	QCMXECLVRKBXHL-ATVHPVEESA-N	418.465	4.710	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1	849210131	COBXFFVFHAIPBY-JJWXFRNXSA-N	424.500	4.740	50	20	HJGD	
CCC(CC)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	852997407	CGLCUGBSJNKQFB-OFBHVFLISA-N	413.562	4.754	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1cc(C(F)(F)F)ccn1	857514755	WMTLICFRUQUQSU-UHFFFAOYSA-N	414.746	4.613	50	20	HJGD	
COc1cc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc(Cl)c1O	916283682	NDBAUDLNOMISJC-UHFFFAOYSA-N	421.840	4.626	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl)O[C@H](C)C2	916549378	NNUQMZVSHWRCCH-DKTFCQPKSA-N	403.265	4.871	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(OC(F)F)cc2)c1C	918505745	XUKHMTUSOYBJAD-GDXCHIGESA-N	418.440	4.564	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2Br)o1)NNc1cccc(Cl)c1	919703245	QPWBUKYZQWMYAK-UHFFFAOYSA-N	420.694	4.833	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccc(F)c(F)c1	1318764862	XMROSDIHVRNNSQ-QMMMGPOBSA-N	423.179	4.993	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)nn1	1320538502	NGSVFLYRAMKPDZ-UHFFFAOYSA-N	420.391	4.690	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cccc2cnccc12	1788584313	AUECZNKODHEETL-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
C[Si](C)(C)OCC(=O)NC1(c2ccc(NC(=O)C3(F)CCCCC3)cc2)CCC1	1789161311	RJJMNUPIRXNULJ-UHFFFAOYSA-N	420.601	4.644	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc[nH]c34)CCC2)cc1	1790486633	GLGSLHUWUDJXOP-IBGZPJMESA-N	409.917	4.933	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccn(C)c34)CCC2)cc1	1790487166	SPJCOVONVXPWKZ-FQEVSTJZSA-N	423.944	4.943	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C)cccc2C)c1C	5972137	JKJLINUDJXCCMX-FYJGNVAPSA-N	407.514	4.611	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)n1	11274124	OPTQBMAMLRHILZ-UHFFFAOYSA-N	415.469	4.909	50	20	HJGD	
CC(C)COC[C@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)c1ccco1	726260830	OOWZOPRJEVMULY-LBPRGKRZSA-N	421.712	4.675	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)c2c(Cl)cccc2Cl)oc2ccccc12	727841957	LHQLZZNAWJMTCG-LLVKDONJSA-N	406.269	4.753	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1c(Cl)cccc1Cl)[C@H]1CCc2ccccc21	727847271	VEOLSRDVGJZXPM-KRWDZBQOSA-N	406.313	4.747	50	20	HJGD	
CC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1ccc(O)c(F)c1	728427882	JWNQFFCLKUYDIL-UHFFFAOYSA-N	403.866	4.649	50	20	HJGD	
Cc1nc(S[C@@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)c2c(C)c(C)sc2n1	729367626	WIOUEBZXICTMTR-LBPRGKRZSA-N	421.551	4.939	50	20	HJGD	
Cc1ccc(Oc2ccccc2CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)cc1	730224445	SKQIFNJCHKRJPF-MTJSOVHGSA-N	410.477	4.529	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1ncccc1C(F)(F)F	740095271	GUWIFXUWAVFRBX-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
C[C@@H](CC(=O)NNC(=S)Nc1cccc(Cl)c1)c1ccccc1C(F)(F)F	743820002	AXXBNLIRMQKKDV-NSHDSACASA-N	415.868	4.870	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H]2CCC(C)(C)c3ccccc32)c(Cl)c1	745787260	XAYFYIVUPDLWAU-KRWDZBQOSA-N	400.910	4.797	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c(C)n1CC(C)C	746360806	UMJLOMSTOLNQOH-FRKPEAEDSA-N	424.492	4.802	50	20	HJGD	
CN(C)c1nc(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cs1	746808263	WHTCKQYCELERCV-LBPRGKRZSA-N	424.901	4.750	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)c2ccc(C#N)cc2)cc1	747051378	PMXSCUHSPZSZBI-UHFFFAOYSA-N	419.488	4.542	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cnc2ccccc2c1C(F)(F)F	748020649	LAOHARRTZVIJBT-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
COc1ccc(C(=O)Nc2ccccc2C(=O)NNc2cccc3c2CCCC3)cc1	748588166	JBJAFZSCYQHTCN-UHFFFAOYSA-N	415.493	4.583	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cccnc1SC(F)(F)F	753168907	MWUNGSDBFURNKO-UHFFFAOYSA-N	420.254	4.775	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Cc1nc(-c2ccsc2)oc1C	753171279	ULYZDOBRXMEISM-UHFFFAOYSA-N	420.332	4.722	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3c2oc(=O)n3C)c(C)n1C1CCCCC1	753307461	CAMRJCNXTKSDCG-QGOAFFKASA-N	418.497	4.601	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)Nc1ccc(COC2CCCC2)cc1	756683090	FMVPLGKEQLHZCO-UHFFFAOYSA-N	417.509	4.694	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1nc2ccc(F)cc2s1	761748085	KFXNECBJNVHVTL-UHFFFAOYSA-N	405.454	4.632	50	20	HJGD	
CN(C)c1cccc(C(=O)NNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762966587	SZFWUOWSYQFNMZ-UHFFFAOYSA-N	424.395	4.877	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)ccc1OCCC(=O)O	763372225	BAABITQBQNOYAF-NSIKDUERSA-N	420.248	4.645	50	20	HJGD	
O=S(=O)(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(CCCl)cc1	768558830	LKVWYIPWCZEXOS-INIZCTEOSA-N	409.832	4.579	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CC[C@H](c2ccco2)C1	773257853	ZABMNESAIYFSBV-NSHDSACASA-N	410.364	4.892	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)cc1Br	775638346	BVZIEDVJUDNHSU-XYOKQWHBSA-N	408.198	4.849	50	20	HJGD	
Cn1ncc(Cl)c1C=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	780189141	UFXPENOYDAMVHI-UHFFFAOYSA-N	418.884	4.570	50	20	HJGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783462071	YOVUIURIOKRHNN-SRVKXCTJSA-N	419.437	4.975	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cnn(Cc2ccccc2)c1Cl	789126254	DLSPFLZIDJUFCV-ATVHPVEESA-N	406.873	4.529	50	20	HJGD	
CN(CC(=O)NCc1ccco1)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792861338	BKWAKNOZEOCCNT-UHFFFAOYSA-N	402.611	4.550	50	20	HJGD	
Cc1cc(NNC(=O)Cc2sc(SC(F)F)nc2C)ccc1Br	793711596	KIDSMDXGKUOJOK-UHFFFAOYSA-N	422.320	4.523	50	20	HJGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1c(-c2ccccc2)nc2ccccn12	794781397	VZBUFHKDRDAYPB-UHFFFAOYSA-N	420.472	4.684	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNc3ccc(Br)c(C)c3)cc2)cs1	799705585	LLXBSQVNBQQLIR-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	806421888	GBGKHWZOEODCRJ-GXTWGEPZSA-N	415.428	4.671	50	20	HJGD	
COc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c(C)c1C	809191416	WBBYDIBRLNKXJM-ZAAFRKLLSA-N	421.541	4.763	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cn1	916400152	TYYXEFLCNMACCP-RGVLZGJSSA-N	404.901	4.674	50	20	HJGD	
COCCOc1cc(C)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	917762191	MJNUDLYEWPMXJN-FYJGNVAPSA-N	409.530	4.640	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(C)n1C[C@@H]1CCCO1	918590226	ZSDZILRXJFREFE-ACGVMZEOSA-N	409.574	4.618	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc(C#N)n1C	919995179	XXWQMFBTDCVJDO-CXUHLZMHSA-N	417.856	4.592	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cncc(Br)c3)sc2C)cc1	1116396070	XIDJFULQMFIPJN-UHFFFAOYSA-N	418.316	4.647	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)c(F)c2)c1C	1319754951	TVUBBBKWPAFOAZ-VEHWSPSYSA-N	417.912	4.889	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cccc2ccncc12	1790858961	NVAGUTUIIKUVLH-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Cl)[nH]n1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	1818929261	MMXKWBKFBXOECF-KSTXQTNUSA-N	424.948	4.543	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1	5244116	GUOKELLDVBTVLH-NCPSJORJSA-N	403.265	4.779	50	20	HJGD	
Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)CCCC[C@H]1CCSS1	18970598	BAAHSIQPWIKRLS-SFHVURJKSA-N	422.616	4.791	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)C(=O)c3ccoc3C)cs2)cc1	213027714	HAQVCHCKNBESCB-GDNBJRDFSA-N	407.451	4.528	50	20	HJGD	
O=C(NNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)NC1CCCCC1	216146112	BSKBEWJLGCZOKU-UHFFFAOYSA-N	420.538	4.754	50	20	HJGD	
Cc1cc(C)cc(-c2nnc(SCC(=O)/C(C#N)=C3\Nc4ccccc4S3)o2)c1	302106667	CQOCXIPRCQNVLC-HMMYKYKNSA-N	420.519	4.968	50	20	HJGD	
CCN(C(=O)NNC(=O)CCCc1ccccc1)[C@@H](C)c1cccc(C(F)(F)F)c1	727845784	YKUPSJBVAAQSSE-INIZCTEOSA-N	421.463	4.852	50	20	HJGD	
N#CCCCOc1cccc(C=NNC(=O)c2ccc(Br)cc2Cl)c1	728782916	ZAEMUAQQTKKXIL-UHFFFAOYSA-N	420.694	4.549	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)n1	730140837	RCWQBYXALIMHMB-CYBMUJFWSA-N	416.938	4.566	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)c1cc(F)c(Cl)cc1Cl	731218860	KDCXQJDCAGUGLE-NSHDSACASA-N	412.292	4.502	50	20	HJGD	
COc1ccc(C(=O)NN=C(C)CC(C)(C)c2ccccc2)cc1Br	731934570	DQFPUEQRVUYGKG-UHFFFAOYSA-N	403.320	4.931	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1	733928953	UEYSASHXEASWLY-UHFFFAOYSA-N	405.285	4.832	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)Nc1ccccc1F	740764138	MCKXSTGEAZKQIU-BOPFTXTBSA-N	408.864	4.886	50	20	HJGD	
CCc1oc2ccccc2c1CN(C)C(=O)NNC(=O)c1cccc2ccccc12	743628330	OVJUDENFNBZXOR-UHFFFAOYSA-N	401.466	4.635	50	20	HJGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1	743810799	LNAKPONIHAYKJE-UHFFFAOYSA-N	410.861	4.874	50	20	HJGD	
O=C(NNC(=O)N[C@H]1CSc2ccccc21)Nc1ccc(-c2ccccc2)cc1	745830587	BIBCUFJVXCHMRQ-IBGZPJMESA-N	404.495	4.536	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)c2ccccc2n1	745838185	HPKWNZWWGYHMRY-NRFANRHFSA-N	424.932	4.928	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ccc(Cl)cc3Cl)cc(C3CC3)nc21	748018325	QDXYNIBZWUOJEG-UHFFFAOYSA-N	404.301	4.953	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc3c(c2)CC(=O)N3)c(C)n1CCC(C)C	748505803	BEJOBRVOTBSNTG-YPKZHZFPSA-N	419.525	4.857	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2noc(-c3ccccc3)n2)c1C	750631502	KOBUPTMXWCHEBD-MOSHPQCFSA-N	404.470	4.605	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2c(-n3cccc3)sc3c2CCSC3)cc1Cl	753323165	XEOISRLANZNMQU-UHFFFAOYSA-N	414.943	4.610	50	20	HJGD	
O=C(CCCCNC(=O)OCc1ccccc1)NNc1cc(Cl)ccc1Cl	761572426	OKLWRECRGUTVSB-UHFFFAOYSA-N	410.301	4.533	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccccc1COc1ccccc1	761590441	MZEWEIZDJAVYFN-UHFFFAOYSA-N	402.372	4.921	50	20	HJGD	
O=C(CNc1cccc(S(F)(F)(F)(F)F)c1)NC(=O)NCc1cccs1	762531680	ULAMARZRNLCIKG-UHFFFAOYSA-N	415.409	4.843	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1N1CCCC1)c1ccc(Br)s1	763355000	QUOFBURUFOIXMD-UHFFFAOYSA-N	412.740	4.528	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(Br)c(Cl)c1	764329216	SZZXMTSDHMYWNO-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)C1	766331052	FEJCYHPNJYBTFM-HOCLYGCPSA-N	415.361	4.910	50	20	HJGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1cccc(NC(=O)c2ccccc2)c1	767032387	LKGOIZFOHWQZLV-KSSFIOAISA-N	417.347	4.926	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1C	768174165	HWBPWKOVMZPCQT-JZVSFUAJSA-N	414.431	4.822	50	20	HJGD	
CCCOc1ccc2[nH]cc(C=NNC(=O)c3cc(F)ccc3Br)c2c1	768364166	GOEYROJMJHNQMM-UHFFFAOYSA-N	418.266	4.622	50	20	HJGD	
COc1ccccc1NC(=O)c1ccc(NC(=O)NNc2ccccc2Cl)cc1	769937352	FJGCZWBOGVNHAO-UHFFFAOYSA-N	410.861	4.750	50	20	HJGD	
COc1cc(/C=C(/C(=O)OC[C@@H](C)CBr)c2ccccc2)ccc1O	770344467	LVFKEBPJXQBLOM-FBJMNJBLSA-N	405.288	4.516	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	771123804	JWWXPKDYUMFYEY-UHFFFAOYSA-N	418.900	4.999	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc(Br)c(F)c2)cc1OCC	771675263	QVAVTGLMIJDVKV-UHFFFAOYSA-N	411.271	4.533	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1coc(-c2ccccc2Cl)n1	776488780	SFBJLPWCNFYHEC-UHFFFAOYSA-N	411.767	4.693	50	20	HJGD	
CC(C)(C)OC(=O)NCCCCCC(=O)NNc1c(Cl)cc(F)cc1Cl	780977256	KYCIKVHCLOGQQP-UHFFFAOYSA-N	408.301	4.661	50	20	HJGD	
Cc1cc(NS(=O)(=O)c2ccc(CCCl)cc2)ccc1Oc1ccncc1	782541424	INASGBVCNLUZPE-UHFFFAOYSA-N	402.903	4.764	50	20	HJGD	
N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782978504	ATKLWSDEEOOISD-UHFFFAOYSA-N	416.368	4.833	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c(OCc2ccccc2)c1	787570273	LZQGHXFOGZJRRB-CPNJWEJPSA-N	400.434	4.525	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Cl)c(OC)c3)s2)cc1	790177152	ZABDQFJUECTPDS-UHFFFAOYSA-N	417.918	4.936	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1cnc2ccccc2n1	790230482	BGUSEGTYLGOMTQ-MFOYZWKCSA-N	405.383	4.958	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNc3cccc(F)c3[N+](=O)[O-])cc2)cc1	790496090	VUKPKDQWXOVZEB-UHFFFAOYSA-N	407.361	4.546	50	20	HJGD	
CSSCCNC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	790881463	DWTGUJWWHJLYPJ-UHFFFAOYSA-N	409.404	4.695	50	20	HJGD	
N#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	792660653	ZTPLMESYBVNZIR-UHFFFAOYSA-N	418.331	4.811	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCC[C@H]1c1cc[nH]n1	796031847	DVJOCTVXTUQOTE-AWEZNQCLSA-N	417.425	4.983	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)c1ccc(-c2cccc3cccnc23)cc1	796240972	SGSYDCCGIDMVLL-UHFFFAOYSA-N	418.456	4.525	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C(=O)Nc1cccc(-c2ccccc2)c1	807023064	ZRKYFAVQUNEEQR-UHFFFAOYSA-N	417.362	4.593	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1ccc(Oc2cccnc2)cc1	808896873	QFIUMQQLYWUBIA-UHFFFAOYSA-N	404.348	4.921	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccccc3OC(F)(F)F)cc2)n1	811221383	JDUPJWKFZGDMMH-UHFFFAOYSA-N	408.405	4.851	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])ccc1Br	813494640	VEKMTEWFGFVMNU-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc([N+](=O)[O-])ccc1C(F)(F)F	815870543	FEWICUJOBAPUEY-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
CN(C)c1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1	817016323	PKFSDBMEIGBFTG-UHFFFAOYSA-N	409.305	4.686	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2/C=C(/C#N)C(=O)N2CCCC2)c1	818471389	UQUMQEZLZNBNOX-RGEXLXHISA-N	400.457	4.516	50	20	HJGD	
CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)[C@H](Br)C(C)(C)C)C1	819475144	HFSUFZUIVYPTQN-KSSFIOAISA-N	406.368	4.572	50	20	HJGD	
COc1cccc(NNC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)n1	857482666	GHDMDQJGHWXEFK-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
CC(C)n1ncc2cc(C=NNC(=O)CC34CC5CC(CC(C5)C3)C4)c(Cl)nc21	874060312	FQHNOUQWTFAKMS-UHFFFAOYSA-N	413.953	4.722	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccccc2OCc2ccncc2)c1	914693550	ZALGBAMGDRQAJE-UHFFFAOYSA-N	417.509	4.622	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3cccc(OC)c3)n2)cc1	915846915	AHAQHFOEWVTGCK-WJDWOHSUSA-N	405.479	4.763	50	20	HJGD	
CCN(CC)c1ncc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)s1	917029903	QGGRVXCUEJRADW-UHFFFAOYSA-N	402.520	4.621	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c(C)c1	917864182	KROILEDPBLVPKC-XOYGFPHKSA-N	421.541	4.927	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(-c3csnn3)cc2)c(C)n1CC(C)C	919987776	VODVBIGAEIIQPF-GRSHGNNSSA-N	405.527	4.825	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc(-c2ccccn2)nc2ccccc12	932483777	KXLJYTFYMISFEI-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)[C@H](C#N)c2nccn2Cc2ccccc2)c1C	1122706571	KQSWFUIBCNVJQO-SINAZASISA-N	411.509	4.543	50	20	HJGD	
COc1cc(O)ccc1C=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	1317742040	VKZPACHSDJBDFJ-UHFFFAOYSA-N	415.424	4.519	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3ccc(Cl)cc3OC)o2)c1C	1341517860	ACOHPVRGLBQMDB-YBEGLDIGSA-N	412.877	4.528	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nccc4occc34)cc2)CCC1	1788341338	JFQQUUMMOMSBFW-QGZVFWFLSA-N	411.889	4.593	50	20	HJGD	
Cc1ccc2[nH]c(C(=O)NC3(c4ccc(NC(=O)[C@H](F)Cl)cc4)CCC3)cc2c1	1788583898	GLJLARMUHHUQNB-IBGZPJMESA-N	413.880	4.758	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccc2occc2c1	1789049098	BBQQKFGZHIOBCR-GOSISDBHSA-N	400.837	4.715	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)[nH]n1	1815322493	RSHWDNSBZJBWEU-YJBOKZPZSA-N	420.916	4.571	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2)CC1	1824011224	QCQQHHWCFJAGDT-RJRNSMGGSA-N	416.993	4.585	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	1831476127	JMTSJAQNPQJQNQ-ZQOQTTQJSA-N	423.041	4.840	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(-c3ccccc3)on2)c1C	8557943	HQXLZMLMODOWNH-LASGFXPTSA-N	419.481	4.618	50	20	HJGD	
Cc1ccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(C)c1	16826301	UXDFORMPXDBMAW-CNSRZQHFSA-N	421.541	4.855	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(CC)cc2)c1C	104579521	ZITCFSMMMMYBAK-ALDSOSFCSA-N	407.514	4.555	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc3ccccc3n2)cc1OCc1ccccc1	254568783	JAYNCGIWPQRXID-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
CN1/C(=C(/C#N)C(=O)CSc2nnc(CCC3CCCCC3)o2)Nc2ccccc21	727265826	MMOQUFNOYOKPOQ-PGMHBOJBSA-N	423.542	4.541	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H](C)CSc2ccccc2OC)cc1	728893691	PNLUVXWTYIYQBI-NFBGKYEXSA-N	410.539	4.545	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc2)oc1C(=O)O	729937589	WPSRLXPGAYYTST-WJDWOHSUSA-N	420.396	4.550	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c(Cl)c1OC	730435177	YQWQEFKCASBTBS-FMIVXFBMSA-N	421.678	4.665	50	20	HJGD	
O=C(CCCCCc1ccc(I)cc1)NNc1ccccc1	732265464	AMIJLCVRCJLLPR-UHFFFAOYSA-N	408.283	4.537	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC[C@@H](n2ccnc2)C1	732416671	NKBMXSWGAVLIFE-DOMZBBRYSA-N	418.872	4.971	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccccc3Cl)c2C)cc1	734304498	LQGQSAFXKULKDP-MTJSOVHGSA-N	418.928	4.733	50	20	HJGD	
Cc1ccc(C)c(C(=O)CCC(=O)Oc2ccc([N+](=O)[O-])cc2Br)c1	739311167	KGSQQKZHOTWUBQ-UHFFFAOYSA-N	406.232	4.543	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2ccc(OCC(F)F)cc2)cc1	741852496	LVSHRJBZMRGYGU-LDADJPATSA-N	422.435	4.679	50	20	HJGD	
Cc1cccc2oc(CCNC(=O)/C(C#N)=C/c3cc(C)n(CCC(C)C)c3C)nc12	742974490	ZJXYFWCCZUPTAA-KGENOOAVSA-N	418.541	4.867	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1cccc(C)c1C)c1cccc(C(F)(F)F)c1	743296859	ISBXICDAWPVPRK-RAXLEYEMSA-N	407.461	4.743	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2cc(Cl)c3c(c2)OCCCO3)n1	744859447	RPGWAJKFTCITMS-QPEQYQDCSA-N	417.918	4.801	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3cc(F)c(F)c(F)c3)cc2)n1	746702957	CPNPPEFSHMYNPW-UHFFFAOYSA-N	409.458	4.918	50	20	HJGD	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)NNC(=O)CCCc1ccccc1	747500550	KMXXIHIIWOWGEK-IRXDYDNUSA-N	401.938	4.528	50	20	HJGD	
CN(C(=O)c1ccco1)c1ccccc1C(=O)NNc1ccc(Cl)cc1Cl	748009466	LXGNDSRRZFZTKO-UHFFFAOYSA-N	404.253	4.620	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1Cl	753297503	JSIFVZSQJQWELH-UHFFFAOYSA-N	406.804	4.772	50	20	HJGD	
Cc1c(C(=O)NNc2c(F)cc(F)cc2Br)cccc1-c1ccccn1	754884239	IZHNKQKJUNBSTQ-UHFFFAOYSA-N	418.241	4.855	50	20	HJGD	
Cc1noc(C)c1-c1ccc(OS(=O)(=O)c2ccc(CCCCl)cc2)cc1	758249663	IEKOGPQKKZBZSM-UHFFFAOYSA-N	405.903	4.898	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(F)c(C#N)c1Cl	761390608	DNTCUDPZYRVYMZ-WUXMJOGZSA-N	404.228	4.867	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OC/C=C\c2ccccc2)c(-c2ccccc2)n1	761401739	NEMBJFLHVBDFPX-ULKWBNOWSA-N	408.461	4.627	50	20	HJGD	
O=C(NC[C@@H](O)COc1ccccc1)Nc1cccc(S(F)(F)(F)(F)F)c1	762976870	YLAACQCFVMEIRW-CYBMUJFWSA-N	412.380	4.905	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cc(Br)cc(Br)c1	770196612	AAOWESDSWUXPGV-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C	771688582	FPMQXYZGYXRJMG-UHFFFAOYSA-N	403.461	4.884	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cn(Cc2ccccc2)nc1-c1ccccc1	777464702	XVWBQDGAVHMIEQ-UHFFFAOYSA-N	419.488	4.904	50	20	HJGD	
Cc1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1C(N)=O	777608174	CMZCBFKXKIGTCY-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
COc1ccc(C(=O)c2ccccc2C(=O)NNc2nc3ccccc3cc2C)cc1	781355616	BHRZQCQFNMUUNV-UHFFFAOYSA-N	411.461	4.540	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785179986	XRLXAYAGYNTZKH-UHFFFAOYSA-N	411.824	4.976	50	20	HJGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1c(Cl)cccc1SC(C)C	786036416	AYRMVWRXEUUVCI-UHFFFAOYSA-N	414.962	4.903	50	20	HJGD	
Cc1ccc(Br)nc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	786608524	JBAICOSVQSKBMT-UHFFFAOYSA-N	409.498	4.870	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1	788254735	NJVFEHRZCZKWFR-NRFANRHFSA-N	420.538	4.757	50	20	HJGD	
CC[C@H](C)n1ncc(NC(=O)NNc2ccc(Br)cc2Cl)c1C	792483199	UCDVQEKASYKTFW-VIFPVBQESA-N	400.708	4.727	50	20	HJGD	
C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	796115784	QZVWXSIGRJEPKU-QWHCGFSZSA-N	420.469	4.591	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ncccc1Cl	797059038	XOQZMEBYHDJEOS-UHFFFAOYSA-N	422.784	4.511	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)c(F)cc1F	817016629	FDMMZIFIUQVSOW-UHFFFAOYSA-N	402.216	4.898	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)cc1	817920787	AVPCCBODYKVTKI-UHFFFAOYSA-N	404.470	4.795	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(OCC(F)(F)F)nc1	832654554	OUTFCVYPQGEOKM-UHFFFAOYSA-N	414.598	4.740	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1	844266621	VJOPLWHDUJEDEL-UHFFFAOYSA-N	400.482	4.595	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)c1c[nH]c2ccccc12	916287709	JXXKIKMQKBLPRD-UHFFFAOYSA-N	412.280	4.733	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc(COc3ccccc3)o2)c(C)n1Cc1ccco1	916359843	CAHVISIWJFCKLX-UHFFFAOYSA-N	417.465	4.682	50	20	HJGD	
CCCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	917368824	IZKYQGQHIPYHAI-JIOFHBDDSA-N	419.569	4.938	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1C	933477908	XZPYDYXCHHIJRM-ZHZULCJRSA-N	413.443	4.609	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	1318565096	WVLCYBFUKAHISA-UHFFFAOYSA-N	410.264	4.756	50	20	HJGD	
C[C@H](Cc1ccccc1)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788587968	RUEFFELGUYJRKD-DNVCBOLYSA-N	402.897	4.534	50	20	HJGD	
CC[C@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)CCl)C2)c1ccccc1	1795567443	JTIMJRSEXWQQOG-JBINPLMMSA-N	419.009	4.720	50	20	HJGD	
CC(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)cc1	1827610985	KVEBDMKCLAKCSR-VQTJNVASSA-N	408.945	4.578	50	20	HJGD	
CCCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](Cl)CC)CC2)cc1	1830105166	BJTJIPBTKKTXDT-YADHBBJMSA-N	419.009	4.890	50	20	HJGD	
O=C(CCCCCCCCc1ccccc1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367485	HBVFMZLEFSGOQQ-NRFANRHFSA-N	422.972	4.698	50	20	HJGD	
O=S(=O)(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(CCCCl)cc1	303122257	MQCXQGGHTXSQGK-GOSISDBHSA-N	423.962	4.607	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cnc(-c3ccccc3)s2)c1C	727264722	ZCAYZKGZEDFVSN-MHWRWJLKSA-N	405.479	4.722	50	20	HJGD	
COc1ccc2oc([C@H](C)NS(=O)(=O)c3ccc(CCCl)cc3)c(C)c2c1	730266614	PBFHWSUAVVIZFF-AWEZNQCLSA-N	407.919	4.571	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2	735685887	DSBSOVABLDBCKO-HKARXFIJSA-N	406.917	4.775	50	20	HJGD	
C[C@@H](CCC(C)(C)C)NC(=O)NNC(=O)Nc1ccc(Br)cc1Cl	743621730	RREDLAAIPQUBHH-JTQLQIEISA-N	419.751	4.653	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2cccnc2)c(C)n1-c1ccc(F)cc1	743723166	NACQSOYOCCHMGH-WBRURWICSA-N	402.473	4.755	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc(C#N)n1C	746291009	HCDNLHIRIOGFAU-GZTJUZNOSA-N	424.957	4.549	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c(Cl)c1	746425390	HTEFGACTHCKPAB-HNNXBMFYSA-N	423.904	4.807	50	20	HJGD	
CCC[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1	746972112	HSXCBIQNJXNMLR-KRWDZBQOSA-N	419.312	4.960	50	20	HJGD	
O=C(Cc1csc(-c2cccc(F)c2)n1)NNc1ccc(F)cc1Br	748073678	SBRPFIYGAJMKKU-UHFFFAOYSA-N	424.270	4.537	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cccc(Oc2nccs2)c1	748695437	JMGNHZMXMFGZHL-UHFFFAOYSA-N	409.389	4.633	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(F)(F)F	750895979	LGVFPGHUZKLKFW-JQFNYASXSA-N	418.415	4.811	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)Nc1ccc(SC(F)F)cc1	755324649	MOPGZKNLYLCMEF-UHFFFAOYSA-N	401.438	4.550	50	20	HJGD	
CN(C)Cc1ccsc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	756097516	BXPCQMRKGCBJOB-UHFFFAOYSA-N	423.163	4.636	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1	760923125	QGPCHCUZAKCVMV-UHFFFAOYSA-N	423.300	4.972	50	20	HJGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)[C@H](C)C1	761255806	QUTICUXCKDQTTK-HIFRSBDPSA-N	402.491	4.639	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc2ccccc2cc1OC(F)F	761996599	KCSICZPXCNCOON-UHFFFAOYSA-N	407.214	4.961	50	20	HJGD	
O=C(Nc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1)OCC(F)(F)F	763616058	SJVKSYSEZVPMHT-UHFFFAOYSA-N	422.190	4.861	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	767028524	DIWNCBPJNMUSNJ-NQMVMOMDSA-N	412.212	4.822	50	20	HJGD	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)c1ccccc1OC(F)F	775638797	IKELYOXFFOCEDY-YRNVUSSQSA-N	410.279	4.587	50	20	HJGD	
N#CCc1ccccc1CC(=O)NNc1c(Cl)cc(Br)cc1Cl	776959961	GSTXJMVJPCMXGI-UHFFFAOYSA-N	413.102	4.508	50	20	HJGD	
CC(C)(C(=O)NNc1c(Cl)cc(Br)cc1Cl)c1cccnc1	778289838	RGEKNKWCUWUVHV-UHFFFAOYSA-N	403.107	4.572	50	20	HJGD	
Cc1sc2ncnc(Sc3ccccc3C(=O)N3CC=C(C#N)CC3)c2c1C	780687000	RHQJYKXYPNNRNP-UHFFFAOYSA-N	406.536	4.755	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(C#N)n1C	782829079	MZWPYQLGJBJGOM-KZKMUKRCSA-N	419.488	4.528	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	785343165	BNFDNRIZXZKAFU-CJAAZZPWSA-N	422.790	4.836	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c[nH]c2ccccc12	786621085	QTPAMAFXMNBXAL-NSHDSACASA-N	406.364	4.732	50	20	HJGD	
COc1cc(NNC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)ccc1Cl	789251204	QDAMTNNTWSKKGR-HNNXBMFYSA-N	401.816	4.977	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1	794950080	VDFIRRNDBOIXHG-RCCKNPSSSA-N	403.482	4.626	50	20	HJGD	
O=S(=O)(NCc1noc2ccccc12)c1cccc(S(F)(F)(F)(F)F)c1	808308373	CARCKQZMJIAJCU-UHFFFAOYSA-N	414.377	4.964	50	20	HJGD	
CCCN(CC)C[C@H](C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	810119857	FPXSEVKJDYNAQR-LBPRGKRZSA-N	410.474	4.743	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@@H](CO)c2ccccc21	814402917	PTHWHOZSZZCMLZ-NSHDSACASA-N	415.405	4.629	50	20	HJGD	
Cc1c(C=NNC(=O)c2ccc(Br)cc2Cl)n(C)c2ccccc12	814837339	REDPIODDIHFIAJ-UHFFFAOYSA-N	404.695	4.667	50	20	HJGD	
CSc1ncc(C(=O)NNc2ccccc2C(F)(F)F)n1-c1ccc(F)cc1	912638533	RASWAFAMLFCGDR-UHFFFAOYSA-N	410.396	4.509	50	20	HJGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1ccc2c(c1)Nc1ccccc1S2	917031615	MDYAJHUKSFJTEG-UHFFFAOYSA-N	416.506	4.682	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)c1c[nH]c2cc(C)ccc12	920068178	KWEBVCMLNAFVMK-ATVHPVEESA-N	424.460	4.629	50	20	HJGD	
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	921125427	MYKHPLILINWQAH-ZDUSSCGKSA-N	408.329	4.694	50	20	HJGD	
O=C(NCc1cccc(C(F)(F)F)c1)NN=Cc1csc(-c2ccsc2)n1	921259934	LFJZGGCBFYBJIJ-UHFFFAOYSA-N	410.446	4.724	50	20	HJGD	
COc1cc(OS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)ccc1C=O	1320752339	KMMCXUVTQLPTPL-UHFFFAOYSA-N	418.361	4.933	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3)CCC2)cc1	1790485788	KRHBXNGPWRQAJW-IBGZPJMESA-N	416.974	4.930	50	20	HJGD	
CCOc1ccccc1C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791606861	HBQLORBBFSXVQP-UHFFFAOYSA-N	421.324	4.637	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)F	1795562064	XDFVRRYTOSZPLW-BJWYYQGGSA-N	406.945	4.639	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)[nH]n1	1815322490	RSHWDNSBZJBWEU-MAUKXSAKSA-N	420.916	4.571	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(C(C)C)cc2)c1C	25193089	AIZNXEXQSBZXNM-BYWZACNXSA-N	422.525	4.769	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	141752157	NPLFPIRUDQNEQH-ZSOIEALJSA-N	400.385	4.770	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(=O)NC1CCCC1	208309901	IMCUXIGTLDBOBD-HMWXGYMHSA-N	406.326	4.524	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cc(-c3ccccc3)on2)c(C)n1CC(C)C	726776317	GWVVXQNAGHYGCE-NHDPSOOVSA-N	402.498	4.639	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2Br)c1C	727094901	MFJGKQTVAFIBOK-YBEGLDIGSA-N	416.319	4.832	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(F)ccc2Cl)c(C)n1C[C@@H]1CCCO1	728007248	HJPVXKRUIDXSDB-WBNHJWIASA-N	401.869	4.622	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C	730993833	DBAMZBPQZAVXBZ-DEFALTHMSA-N	422.554	4.549	50	20	HJGD	
CCn1cc(CC(=O)NNc2ccc(Br)cc2Cl)c2ccccc21	733807816	MDRBPJVPEWRVGZ-UHFFFAOYSA-N	406.711	4.763	50	20	HJGD	
O=C(CN(Cc1ccco1)c1cccc(Cl)c1)NNc1nccc2sccc12	734250220	QZVCBGGVVDUDTH-UHFFFAOYSA-N	412.902	4.693	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CCc2ccc(F)cc2)C2CC2)c1C	735017010	UGHMNYHRAJGMER-QWQBBLJPSA-N	423.532	4.592	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cnc3ccc(Cl)cn23)c(C)n1CC(F)(F)F	737444371	QNJZCEHJDOLVFC-AWNIVKPZSA-N	406.795	4.758	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccn(C(C)C)n2)c(C)n1-c1cccc(Cl)c1	737964128	KDSIEDZPNGHTFS-YBFXNURJSA-N	421.932	4.748	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc(O)c3cc(Br)ccc3n2)cc1Cl	741468368	SBTKGMGTVUHETM-WDZFZDKYSA-N	416.662	4.824	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)ccc2C)c1	742132090	DXVRUVOQDKOVHL-GRSHGNNSSA-N	411.465	4.555	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccc(Cl)nc3)c2)cc1	743815910	BZLDFRIIGXBOAA-UHFFFAOYSA-N	423.900	4.593	50	20	HJGD	
Cc1nnc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)o1	744479015	UUOGIQHJXHIVGT-IREQLNLFSA-N	410.861	4.650	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1	746702964	DBBVNCJURJWDKP-UHFFFAOYSA-N	408.326	4.815	50	20	HJGD	
C[C@@H](Sc1ccc(Br)cc1)C(=O)NNc1cccc2cnccc12	748763419	ZHBWUBYMPFDIFJ-GFCCVEGCSA-N	402.317	4.621	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(F)c1	754680881	TZGFALNBFYSBBB-WUXMJOGZSA-N	410.779	4.943	50	20	HJGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c1	756783716	LGRQSFCXNXJLQN-OQLLNIDSSA-N	412.421	4.661	50	20	HJGD	
Cc1cccc(C(=O)NNC(=S)Nc2ccccc2C(C)C)c1Br	757881095	QPMHCJXDNXSWEL-UHFFFAOYSA-N	406.349	4.512	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1	758715824	SFGCOMBMQDRTLV-BBRMVZONSA-N	416.255	4.818	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1CCC(F)(F)F	758988079	VNXWJIIALVEAPW-UHFFFAOYSA-N	405.203	4.563	50	20	HJGD	
Cc1cc2nc(-c3ccccc3)cc(C(=O)NNc3ncccc3[N+](=O)[O-])c2cc1C	759295018	YZDJOVTYOGFELU-UHFFFAOYSA-N	413.437	4.579	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(OCC(F)(F)F)cn1	764758802	VEUWITCQGZIEQP-UHFFFAOYSA-N	409.433	4.973	50	20	HJGD	
CCOC(=O)N1CCc2c(sc3nc(C(C)(C)CCCCCl)nc(O)c23)C1	766289660	PPRWBSHKZDIZOE-UHFFFAOYSA-N	411.955	4.598	50	20	HJGD	
Cc1csc(Sc2ccc(NC(=O)NNc3nccnc3C(C)C)cc2)n1	770259104	XZNDGPRDWYCBJC-UHFFFAOYSA-N	400.533	4.665	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccccc2-c2nnco2)c1C	776339361	MKGAZCBUOAVQHZ-MOSHPQCFSA-N	424.460	4.965	50	20	HJGD	
Cc1ccc(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cn1	777944822	XXEHRVRHZPOFNO-UHFFFAOYSA-N	402.410	4.568	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCC[C@H]1c1ncc[nH]1	777999748	QDMUSEXIRXFFAT-ZDUSSCGKSA-N	417.425	4.983	50	20	HJGD	
Cc1nc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c(-c2ccccc2)s1	778932391	TUCMDCNWYALIIJ-UHFFFAOYSA-N	402.401	4.766	50	20	HJGD	
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NNc3ccc(C(C)(C)C)cc3)C2)c1	781041624	KCIUZNGQRFYSAI-GOSISDBHSA-N	408.546	4.680	50	20	HJGD	
CC[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978567	CJRJMSHCKCJTFM-KGLIPLIRSA-N	409.442	4.658	50	20	HJGD	
COc1cccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782980946	VTMCLCVEOYOUFI-UHFFFAOYSA-N	403.394	4.831	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)c1	783357890	UFSFIBGHLYSILW-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NNc1ccc(Cl)c(F)c1	785179605	JARPGYCTYZRLFJ-UHFFFAOYSA-N	409.914	4.760	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cccc(OCc2cccc(Cl)c2)c1	788190566	XXLATISLRPGPLD-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
Cc1cc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)ccc1-n1cnnn1	792550346	QKNFDXRGXJWOFL-UHFFFAOYSA-N	405.352	4.880	50	20	HJGD	
CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792873180	RSEKFMQWAFHJKS-XPWALMASSA-N	418.698	4.892	50	20	HJGD	
C[C@@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1	795072012	CFLSRQMWGGIRSN-RPVLOZEMSA-N	417.387	4.940	50	20	HJGD	
CCCOc1ccc([C@H](C)NC(=O)NNc2ccccc2C(F)(F)F)cc1OC	918211427	AGVXFKQCBUCUSQ-ZDUSSCGKSA-N	411.424	4.890	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOC3=O)cc2)c(C)n1CCC(C)C	918682487	HLCYVOBONODSNF-XSFVSMFZSA-N	420.513	4.653	50	20	HJGD	
COc1ccc(-c2nnc(/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)o2)cc1OC	1118128954	LTTWUPCMWUPTOR-VXLYETTFSA-N	406.486	4.892	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1	1344352750	NNYAHRRRTGCPSE-UHFFFAOYSA-N	420.460	4.942	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3C)cc2)CCC1	1789964693	SGCBAPZZIHGPJK-FQEVSTJZSA-N	413.949	4.854	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Oc3ccccc3)CCC2)cc1	1790488004	CNVXYJQFBCCNQJ-OXJNMPFZSA-N	414.933	4.605	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CCC1	1791333045	UPAYMLDRXPAUGM-GFCCVEGCSA-N	412.144	4.508	50	20	HJGD	
Cc1cccc(F)c1C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791607199	NLNOYSIQACYDCV-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
C[C@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1	1791909263	KDIUKGKSCARBBN-MRXNPFEDSA-N	416.949	4.857	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1824011726	ZJBUEBUISMYINK-OAQYLSRUSA-N	419.009	4.504	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1	21287887	MMAIMBAZVFQHAP-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCCN(CCCc2ccccc2)CC1	725753404	DPAUZCVVXRUMSJ-NRFANRHFSA-N	406.661	4.868	50	20	HJGD	
O=C(NC[C@@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1)Nc1ccccc1	728694393	VOBBPYWWXGKLMA-OALUTQOASA-N	421.632	4.903	50	20	HJGD	
CCc1cc(NNC(=O)c2ccccc2Oc2ccccc2)nc(-c2ccccn2)n1	734357121	RFCBAUZHCUJEBH-UHFFFAOYSA-N	411.465	4.650	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1	737470143	XOWKEDGEEDONST-JHMRYYBSSA-N	408.464	4.563	50	20	HJGD	
CC(=O)N(C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cc1	743713522	HINCMKLOTLASHO-KGENOOAVSA-N	406.530	4.679	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	745803538	SRZCTMDBFRBAAG-HNNXBMFYSA-N	417.897	4.701	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)n1	747981969	NLJJYKMADVLXFF-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NNc1cccc(F)c1	748088783	BMVNCFMCYLVUTC-UHFFFAOYSA-N	405.429	4.920	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cccc(Oc2ccncc2)c1	748202007	SKZCNQPKFJDMCX-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(OC)c2)ccc1OCC(F)(F)F	750893113	OPFIUWUWJBRZJJ-CXUHLZMHSA-N	405.372	4.825	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)c(OC)c2)cc1	750895101	FESDLJGTWLNIKP-GDNBJRDFSA-N	420.387	4.581	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2Cl)c(C)n1C[C@@H]1CCCO1	754312714	YPXBGDPQJFGAGL-NSTMGVDZSA-N	411.933	4.722	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1ccc2oc3ccccc3c2c1	755367243	PNKSFAPOELFVBT-UHFFFAOYSA-N	412.405	4.708	50	20	HJGD	
Cc1nnc([C@H](C)NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)s1	759933243	ZBAVSIOHGKOKCM-MADCSZMMSA-N	410.874	4.949	50	20	HJGD	
COc1ccccc1SCC(=O)NN=Cc1ccccc1OCc1ccccc1	761270944	LWGKBCJESNSZLD-UHFFFAOYSA-N	406.507	4.517	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccccc1C(=O)c1ccccc1	761590487	NZVDMIGRGAMDJJ-UHFFFAOYSA-N	400.356	4.573	50	20	HJGD	
COc1ccc2oc(/C=C(\C#N)c3nc(O)c4cc(Br)ccc4n3)cc2c1	763281561	HPJFFZSCUVIFRI-XYOKQWHBSA-N	422.238	4.917	50	20	HJGD	
N#CC1=CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1	767120024	QOMQYYUTHNWSFW-OAQYLSRUSA-N	417.336	4.616	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ncc(-c2ccccc2)o1	768248181	DBXDFIZCIWCYOJ-UHFFFAOYSA-N	400.394	4.674	50	20	HJGD	
Cc1ccc(-c2ncco2)cc1NC(=O)NNc1ccc(F)cc1Br	770077925	VSXRMYWVZJBOGX-UHFFFAOYSA-N	405.227	4.700	50	20	HJGD	
O=C(NNc1c(F)cccc1F)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1	773705783	FJYWTZYYAAEZFK-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1	777466837	GDKSJUHLFOQXPF-WQRHYEAKSA-N	410.399	4.520	50	20	HJGD	
O=S(=O)(N[C@H](CCO)C1CCCCC1)c1cccc(S(F)(F)(F)(F)F)c1	777965147	YPCYGYWQTJJBFK-OAHLLOKOSA-N	423.469	4.954	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(C)cc2OCC(F)(F)F)ccc1Cl	788577761	QUBPLSZCFLEUNF-UHFFFAOYSA-N	403.788	4.747	50	20	HJGD	
Cc1cccc2c1OCC[C@@H]2OC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	789496415	IEAPVGPKLCFNEY-TXXVFEKGSA-N	420.509	4.566	50	20	HJGD	
COc1cc(NNC(=O)CCC(=O)c2cc(Cl)sc2Cl)ccc1Cl	790180266	NXWCNWZNLDJAQO-UHFFFAOYSA-N	407.706	4.823	50	20	HJGD	
O=C(NNC(=O)[C@H]1CCCC(F)(F)C1)c1ccc(COc2ccc(Cl)cc2)cc1	799857312	NUIJVONQVMYJNQ-INIZCTEOSA-N	422.859	4.506	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(Cl)cc1F	804210842	ZJQDFMYOJIRCSN-UHFFFAOYSA-N	410.758	4.712	50	20	HJGD	
COc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c(C)c1C	809191415	WBBYDIBRLNKXJM-UHSICZIDSA-N	421.541	4.763	50	20	HJGD	
Cc1ccc(CCC(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)s1	810022497	OQUQRVOOWRFQQX-UHFFFAOYSA-N	421.897	4.679	50	20	HJGD	
C[C@H](OCc1ccccc1)C(=NNC(=O)c1cc2ccccc2cc1O)C(F)(F)F	811629904	LASHPPLUYOBIHJ-AWEZNQCLSA-N	416.399	4.799	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1Cl)[C@@H]1OCCc2sccc21	815855998	QNOWMSLDKUDCTJ-PSLIRLAXSA-N	415.740	4.557	50	20	HJGD	
COc1ccc(NNC(=O)c2cnc(OCC(C)C)c(Cl)c2)c(C(F)(F)F)c1	816702627	VMLOLHDUBHMXTA-UHFFFAOYSA-N	417.815	4.554	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	817012103	XUJGKIRGVLSSGS-UHFFFAOYSA-N	406.895	4.682	50	20	HJGD	
O=C(NNc1ncncc1F)c1oc2ccccc2c1CSC1CCCCC1	817070557	JAWSDNDYKZOIRZ-UHFFFAOYSA-N	400.479	4.685	50	20	HJGD	
O=C(NNc1ncncc1F)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	817083822	ULMIVHOTPSJPIV-UHFFFAOYSA-N	423.300	4.972	50	20	HJGD	
O=C(NNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccc1F	859402199	QXFKZWVLACQCGC-UHFFFAOYSA-N	402.347	4.586	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3ccc4ncccc4c3)cc12	916273077	PCTXYNQPOAZEPR-UHFFFAOYSA-N	411.490	4.708	50	20	HJGD	
COc1cccc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)c1OC(C)C	916349682	REOHAAWQWACPBD-UHFFFAOYSA-N	409.511	4.678	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc3ccccc3nc2Cl)c1C	917229309	NOSUWVHRHGVCDQ-UNOMPAQXSA-N	423.900	4.603	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccc(Cl)s1	1787327606	BOMUYLQBLZIRRO-AWEZNQCLSA-N	401.290	4.684	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CO[Si](C)(C)C)cc2)CCC1	1789647967	WLWOFJVWNJYKJW-FQEVSTJZSA-N	414.622	4.740	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(OC)c3)CCC2)cc1	1790488453	QOGJJJNRWCPGND-QGZVFWFLSA-N	418.896	4.599	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)cccc2C)n[nH]1	1821187014	VQJPNPWROXKWLZ-AEFFLSMTSA-N	416.953	4.740	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(F)cc1	32752486	IFSBJZCLDRMZPU-CPNJWEJPSA-N	402.425	4.959	50	20	HJGD	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NNC(=O)c1ccccc1Cl	108108012	CITRTHBMTFDBNR-VIFPVBQESA-N	403.718	4.589	50	20	HJGD	
CC(C)(C)[Si](OC[C@@H]1C[C@H]1CBr)(c1ccccc1)c1ccccc1	201533532	NIFPWVSHRJXLOS-ROUUACIJSA-N	403.436	4.594	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCSc3ccccc32)c1C	302897884	QIYZQYLTALBTNZ-ULLHUGNTSA-N	409.555	4.573	50	20	HJGD	
Cc1c(C(=O)NNC(=O)c2cccc(OC(F)F)c2)oc2c1ccc1ccccc12	728487909	DIUKRTSZDYNBFQ-UHFFFAOYSA-N	410.376	4.571	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)CC(C)(C)C)c1C	728832388	BFZSVZJWXFFSCC-HZHRSRAPSA-N	407.558	4.733	50	20	HJGD	
Cc1ccc(SCC(=O)NNC(=O)c2sc3cc(C)ccc3c2Cl)cc1	729298750	CDDUFQIVJZAIPU-UHFFFAOYSA-N	404.944	4.725	50	20	HJGD	
COc1ccc2oc([C@@H](C)NS(=O)(=O)c3ccc(CCCl)cc3)c(C)c2c1	730266617	PBFHWSUAVVIZFF-CQSZACIVSA-N	407.919	4.571	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1	730588394	XCUOAXGTBLNZQG-HZPDHXFCSA-N	424.353	4.513	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cccc(OCc3ccccc3C#N)c2)cc1	731317889	FJNQQEORCJVTGX-ZVHZXABRSA-N	414.486	4.784	50	20	HJGD	
Cc1ccccc1COc1cccc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)c1	732660558	YAXGTQZXZNORKC-SRZZPIQSSA-N	410.477	4.638	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1csc2ccccc12	734257663	KLZCJBUOXYFCCP-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1sc(-c2ccccc2)nc1-c1ccccc1	734260731	ITWFEJYMHDBBND-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)c1C	734352119	OAPFCAPVAGDLDE-ZBDCHNAPSA-N	405.542	4.706	50	20	HJGD	
CCc1nc(C)c([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)s1	741950921	PEZFJERYAUHADE-DMUFACCUSA-N	415.559	4.851	50	20	HJGD	
CC(C)(CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccs1	743615657	QLKHNCVPHVHDOT-UHFFFAOYSA-N	408.527	4.729	50	20	HJGD	
O=C(NNC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F)Nc1ccc(-c2ccccc2)cc1	743616930	PCCWAJZBONNNCS-PXNSSMCTSA-N	422.435	4.524	50	20	HJGD	
COc1ccc(Br)c2[nH]c(C(=O)NNc3c(C)cc(C)cc3C)cc12	743761399	GEJARJXNMNOXLY-UHFFFAOYSA-N	402.292	4.621	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cccc(-c2csc(C)n2)c1	743821748	YWLAGYNTSSOTAS-UHFFFAOYSA-N	410.568	4.621	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1C	747198125	TYXGJQKGNVBQOU-GRKPLRCHSA-N	410.543	4.676	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccccc2Br)cn1)c1ccccc1	748065574	FSSVCHLMSUPJFZ-AWEZNQCLSA-N	412.287	4.741	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1csc(Cc2ccc(F)cc2)n1	748076231	BTFRGFNHNMIBLR-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NNc3ccc(C#N)cc3)cc12	748116690	CRHXEICAIFCBEI-UHFFFAOYSA-N	421.913	4.737	50	20	HJGD	
Cc1cnc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)s1	750086588	KCHMVUSCBLJKSJ-YQYFLZKSSA-N	408.502	4.783	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3ccc(F)cc3)CC2)c1C	752455823	FMZUKILRGRSBAW-TTXZLZEXSA-N	423.532	4.765	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cn(C)nc2C(F)(F)F)c(C)n1C1CCCCC1	752821220	OWRGGRPVRMELIZ-MHWRWJLKSA-N	419.451	4.908	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(OC)c(Cl)c2)c1C	761811450	GJHXMYAISLZJNI-HNIBHBHRSA-N	416.905	4.625	50	20	HJGD	
O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NNc1c(Cl)cccc1Cl	763616527	SWYRNYCVIFJQRO-ZDUSSCGKSA-N	416.717	4.593	50	20	HJGD	
Cc1sc2ncnc(SCCC(=O)NNc3c(F)cccc3Cl)c2c1C	771672504	CYAZSVUTXWIAKN-UHFFFAOYSA-N	410.927	4.726	50	20	HJGD	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2c(C)cccc2F)c1	771698049	XPUZICGWCLRLHF-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1	775619897	CQASAIGFWUMUOR-UHFFFAOYSA-N	413.359	4.913	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H](OCC2CC2)C1	778090476	IUCGXVZGCDLDGM-CYBMUJFWSA-N	421.453	4.924	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ncsc1-c1ccccc1	783685455	AJYYWZLARTZOOH-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
Cn1nccc1C(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C	787958012	CNPFZNKMWOEGFR-UHFFFAOYSA-N	424.415	4.957	50	20	HJGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)C1	793468312	OCHZONNAWRLAEQ-ZYHUDNBSSA-N	409.246	4.506	50	20	HJGD	
Cc1cc([C@H]2CCCN2C(=O)/C(C#N)=C/c2ccc(O)cc2)ccc1Br	797768434	OSRUAFIHNYAQSO-KEWOFRHOSA-N	411.299	4.734	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(/C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	801648394	YMKRDYWGKIEAML-AUWJEWJLSA-N	412.280	4.737	50	20	HJGD	
C[C@@H](CC(=O)NNc1cccc2cnccc12)c1ccc(F)c(Br)c1	812538750	VHIKBZKDOIWSBF-LBPRGKRZSA-N	402.267	4.773	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)cccc1[N+](=O)[O-]	815855142	GTFPGZGUAOKWMA-UHFFFAOYSA-N	405.332	4.939	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c1C	915173627	FQELIMSMCRWZJM-LDADJPATSA-N	424.932	4.841	50	20	HJGD	
CC(C)C(=O)NNC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1	915189182	ARLXQJXCJBPTLI-QNGOZBTKSA-N	420.534	4.671	50	20	HJGD	
CC(C)n1ncc2cc(NC(=O)NN(Cc3ccccc3)c3ccccc3)cnc21	915695341	NGSZHDNWIDCNHD-UHFFFAOYSA-N	400.486	4.756	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccc2)c2ccncc2)c(C)n1CC(C)C	917370400	UVPWQDALJJRFNH-JCHYSQADSA-N	412.537	4.969	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)c1C	917762369	SZFMXGUDJVAMGR-RCCKNPSSSA-N	420.557	4.979	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1cc(F)c(Cl)cc1Cl	918014050	NGRQYTQBFYPPKF-NSHDSACASA-N	420.271	4.991	50	20	HJGD	
CC(C)CCN(C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CC1	918434743	XFGXECFGCLVSFP-KRWDZBQOSA-N	422.900	4.882	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2csc(COc3ccccc3)n2)cc1	918714190	WAYSMNXSENJWIE-VBKFSLOCSA-N	405.479	4.666	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@H](O)COc1cccc(Cl)c1Cl	920350206	YIMWGQBIKOEIES-OLZOCXBDSA-N	424.415	4.563	50	20	HJGD	
C[C@@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)NCC(F)(F)F	1116773670	UBXOLSBXUYLMGK-SSDOTTSWSA-N	415.306	4.533	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1csc(Cc2ccc(Cl)cc2)n1	1323823475	QMLGKBPFZAXXCA-UHFFFAOYSA-N	423.281	4.706	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@](C)(Cl)CCl)C2	1801830741	VURMSLBBFFBLJK-DLRJPAPCSA-N	419.437	4.858	50	20	HJGD	
Cc1cscc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1827801887	QVUONOHGJIUWPT-GOSISDBHSA-N	411.011	4.555	50	20	HJGD	
Cn1cccc1C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1842363657	XLRWBPIXLUMFFC-UHFFFAOYSA-N	422.013	4.592	50	20	HJGD	
Cc1ccc(-c2nnc(SCC(=O)/C(C#N)=C3\Nc4ccccc4S3)o2)cc1C	9946930	UJRHDTZQGUZIND-HMMYKYKNSA-N	420.519	4.968	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ncccn3)cc2C)c1C	207677304	NASNEYDJADPLLC-XSFVSMFZSA-N	415.497	4.951	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cnc3ccccc3n2)c(C)n1CCC(C)C	726342791	ANEDOKRWSYXBPV-NDENLUEZSA-N	402.498	4.745	50	20	HJGD	
Cc1nc(-c2cccs2)sc1C(=O)NNC(=S)Nc1ccccc1C(C)C	727173907	DVAHIFZEWKDKBN-UHFFFAOYSA-N	416.597	4.935	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(Cl)c1	727842462	XBXYRXSKQAATES-AWEZNQCLSA-N	400.693	4.742	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1	730596525	PMHZADYCCGOOCI-QWHCGFSZSA-N	412.317	4.562	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)COc1cc(C)ccc1C(C)C)c1ccc(Cl)s1	734070324	XUCBRULUKFDXIL-HNNXBMFYSA-N	423.966	4.694	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3c(-c4ccccc4)nn(C)c3Cl)cc2C1	734745020	GMVGJZJSOIRQPK-CYBMUJFWSA-N	412.946	4.691	50	20	HJGD	
CC(C)c1ccc([C@H](NC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C(C)C)cc1	745340998	FPJCMYCQWSZYJB-OAQYLSRUSA-N	411.550	4.609	50	20	HJGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	746770017	IEULTAYNQSQAQV-ABKXIKBNSA-N	405.873	4.998	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccc(Br)cc3C)cs2)cc1	748736567	FKBZYCAORRIIOM-UHFFFAOYSA-N	416.344	4.875	50	20	HJGD	
COC(=O)CC1(NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CCC1	750586331	MBOHAJQWXYLJMP-CYBMUJFWSA-N	410.845	4.513	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Cc1nc(-c2cccs2)oc1C	753178435	VMJLSSLEPNOOSK-UHFFFAOYSA-N	420.332	4.722	50	20	HJGD	
CCn1nccc1/C=C(\C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	753683061	LRDJVNBVFIAICI-YRNVUSSQSA-N	418.309	4.879	50	20	HJGD	
N#Cc1cccc(C(=O)NN=Cc2nc(-c3cc(Cl)ccc3Cl)cs2)c1	755701349	QOXWMMBYZYXCNF-UHFFFAOYSA-N	401.278	4.752	50	20	HJGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	756682630	JXFMXIMVVKQVDM-QMMMGPOBSA-N	417.375	4.559	50	20	HJGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1	757568024	GXXHLTHMOYBNGV-ZHACJKMWSA-N	422.229	4.853	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1Cl	758912357	VJSDSUGXSQMFRS-FNORWQNLSA-N	423.609	4.945	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1nc(Cl)ccc1F	759182643	KWQOGBHJUKMMPG-UHFFFAOYSA-N	413.461	4.700	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2oc3ccccc3c2CSc2ncccn2)c1	760134264	UZKFNMWUQUGNLV-UHFFFAOYSA-N	408.458	4.720	50	20	HJGD	
N#CCCn1ncc(C(=O)NNc2c(Cl)cccc2Cl)c1-c1ccccc1	760441235	CWLZFZNJWGMLTK-UHFFFAOYSA-N	400.269	4.527	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1-c1ccccc1	760469665	UUVLSAXVKVQESD-UHFFFAOYSA-N	413.865	4.525	50	20	HJGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NNc1c(Cl)cc(F)cc1Cl	767402489	OAHJXLPKIVAUMG-UHFFFAOYSA-N	400.262	4.843	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NNc1nc2ccccc2[nH]1	768501945	ONUNKYOUQAFURC-UHFFFAOYSA-N	418.309	4.679	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCSC[C@@H]2c2nccs2)c1C	770184985	YZZFNNJYAOMEEP-TVNWYLLRSA-N	414.600	4.585	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cccc(Br)c1Cl	780657851	MTTZOLWVLOMAOF-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C	781677540	HJNFEJOEOKWMIR-UHFFFAOYSA-N	419.268	4.732	50	20	HJGD	
Cc1cc(Br)c2oc(C(=O)NNc3ccc(-c4ccccc4)nn3)cc2c1	782850888	FTCZNFHBELNUKT-UHFFFAOYSA-N	423.270	4.718	50	20	HJGD	
O=C(O)c1ccc(F)c(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782911325	XAIRZRYYNAUPCF-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1C	786237781	KYBBYQSOFDNDKZ-ITVWLQPKSA-N	405.498	4.843	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(Sc3ncccn3)cc2C)ccc1Cl	788588573	IGWVAKDCKLVTJG-UHFFFAOYSA-N	415.906	4.747	50	20	HJGD	
Cc1sc(CC(=O)NNc2ccc(Br)cc2Cl)nc1C(C)C	790001318	VWJFMWJKRBHNEM-UHFFFAOYSA-N	402.745	4.677	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2c(F)cccc2Cl)c1C	790094547	UBHINRDXGGNQPC-PACYTGELSA-N	417.912	4.670	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc([C@H]3CCCO3)nn2C)c(C)n1C1CCCCC1	790125597	SSHMCGWAGNMVTM-DUBROFONSA-N	421.545	4.741	50	20	HJGD	
COc1cc(NNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)ccc1Cl	790190231	ZEPVAPBVTVJHIM-UHFFFAOYSA-N	411.676	4.598	50	20	HJGD	
CO[C@]1(C)CCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	797376482	RJADWJIXJZHMDL-MRXNPFEDSA-N	416.412	4.700	50	20	HJGD	
COc1cccc(NNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)n1	797750678	GYNCGRSGBCKWBS-UHFFFAOYSA-N	421.284	4.932	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1SCc1occc1C(=O)OC	799755587	FYIWMPQOOYDOFG-UHFFFAOYSA-N	424.522	4.986	50	20	HJGD	
Cc1cnn([C@@H]2CCN(C(=O)Nc3ccccc3S[C@@H](Cl)C(F)(F)F)C2)c1	810154186	LBFNUJCYJOHFRR-IUODEOHRSA-N	418.872	4.890	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccccc2Cl)cc1	912646179	GIPQBSLJATXQPJ-UHFFFAOYSA-N	418.884	4.958	50	20	HJGD	
O=C(NN=Cc1cc(F)ccc1F)c1ccc(CSc2nc3ccccc3[nH]2)cc1	915938615	BXMGDJYHGMNMIU-UHFFFAOYSA-N	422.460	4.897	50	20	HJGD	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NN(c2ccccc2)c2ccccc2)cc1	917529651	UFDXIPXKCVEIIZ-KRWDZBQOSA-N	405.523	4.995	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1csc(COc2ccccc2)n1	918713599	PAWXNDLXVUIBLT-VBKFSLOCSA-N	405.479	4.666	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@H]1CCCOc2ccc(F)cc21	919791456	RGIMJHYUGAIEPY-LBPRGKRZSA-N	419.671	4.721	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3)CCC2)cc1	1786011941	NIQVHCGGMZCYRY-UHFFFAOYSA-N	424.932	4.527	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]3C)CCC2)cc1	1791359728	WLKTWHSDDNFMJW-QGTPRVQTSA-N	421.379	4.730	50	20	HJGD	
Cc1csc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Br)cc3)CCC2)c1	1791432485	XTMCJSUFOCXAMS-ZDUSSCGKSA-N	421.360	4.588	50	20	HJGD	
C[C@H](Cc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1791733155	OTBGNLDEHIYQQH-BEFAXECRSA-N	402.897	4.534	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](CC)CC2)n[nH]1	1822224114	IOCYFGTUBPXFMU-YFHUEUNASA-N	408.974	4.636	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(C)c2)CC1	1824614141	GQLKZOUDKDGNQN-YADHBBJMSA-N	419.009	4.565	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)cc1	7208169	HOWAWDPZIAAUFZ-CXUHLZMHSA-N	400.272	4.906	50	20	HJGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	7713352	IHASORBVVOBPTR-LICLKQGHSA-N	413.458	4.920	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3nccs3)c2)c1C	108726432	IUDHTSVBASHECP-IWEBCOIVSA-N	420.538	4.982	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2csc(Nc3ccc(C)cc3)n2)cc1	213716562	LHDRYMDUMRBLGW-BOPFTXTBSA-N	405.479	4.854	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)OCc2nnc(C(C)C)o2)c1C	726988511	RAQVEDIDNDDUQG-ODLFYWEKSA-N	404.470	4.559	50	20	HJGD	
CCCc1ccc([C@H](NC(=O)NNC(=O)c2cccc3ncccc23)C(C)C)cc1	730112783	IGJCHDDINIAHJS-JOCHJYFZSA-N	404.514	4.529	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNC(=S)Nc3cc(C)ccc3F)c(F)c2)cc1	730290150	HHHVGJAKUMATSB-UHFFFAOYSA-N	411.477	4.880	50	20	HJGD	
CCOc1cc(C=NNC(=O)[C@@H](CC)c2ccccc2)cc(Br)c1OC	731930698	IJGJDPKPWHERSK-INIZCTEOSA-N	419.319	4.500	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1	733933393	RJGGGQXQCDGOJC-UHFFFAOYSA-N	411.868	4.673	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CSc2ccc(C(C)(C)C)cc2)c1C	734259920	NVGPASIIKVTMGD-UHFFFAOYSA-N	421.570	4.688	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)c(C)c1	738556562	XLSXUAVXOSYYEQ-CQSZACIVSA-N	409.477	4.519	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c(C)c1	743765711	ZOXWVTDETZLBBQ-WOJBJXKFSA-N	423.557	4.537	50	20	HJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccc(F)cc3Br)o2)cc1	748073646	QEETWPSYFTXUTR-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
CC[C@H](C)n1c(SCC(=O)NNc2ccccc2Cl)nnc1-c1ccccc1	748306082	CTMAWRLGQWRAKA-AWEZNQCLSA-N	415.950	4.805	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)c1	748359373	JNHXEUMPAOYIJB-UHFFFAOYSA-N	423.557	4.715	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(-c3cscn3)cc2)c1C	750750943	ADOLNPAZTLTWBU-OBLBUWMUSA-N	421.522	4.948	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ccc(C#N)c(Cl)c3)cc(-c3ccco3)nc21	753317435	UZFBWXXYJDSFRE-UHFFFAOYSA-N	420.860	4.554	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccccc1F	755697960	FBRUZAHXGRJNCL-MDWZMJQESA-N	410.836	4.732	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(O)c3ccccc3n2)c(C)n1-c1cccc(C(C)C)c1	758309487	RFESAAUIDNVVFJ-UHFFFAOYSA-N	415.497	4.623	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(OCC2CC2)c(F)c1	759614174	WYCDNXKNQYWOBC-LBPRGKRZSA-N	409.408	4.603	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)c2ccc(F)cc2F)c(C)n1CC(C)C	760240670	BZXFDPODNNJLAZ-BZMUBCNJSA-N	414.452	4.761	50	20	HJGD	
COc1ccccc1CN(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762637753	XAJJKWNWYZCNAD-UHFFFAOYSA-N	424.391	4.950	50	20	HJGD	
Cc1ccc(NC(=O)c2sc3[nH]c([C@@H](C)Br)nc(=O)c3c2C)c(C)c1	767358399	LNQLBIHTWARCAJ-LLVKDONJSA-N	420.332	4.618	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H](c1cccc(Cl)c1)C1CCCC1	771563845	XTESWXAMGSZBQL-OAQYLSRUSA-N	422.916	4.764	50	20	HJGD	
COc1ccc(C(=O)CC(C)(C)CC(=O)NNc2ncc(Cl)cc2Cl)cc1	775273131	QJZDITVDGQUCRL-UHFFFAOYSA-N	410.301	4.529	50	20	HJGD	
O=C(NNc1c(F)cccc1F)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	775548296	VAMYTWOHEPGCKD-UHFFFAOYSA-N	406.776	4.612	50	20	HJGD	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	776488833	ZECBHZQDDNKXFX-YRUATGHUSA-N	407.562	4.762	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)ccc1OCC(F)(F)F	786044036	DRXRZVSZKZSFPR-CHHVJCJISA-N	424.806	4.513	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)/C(C#N)=C\c3ccc(O)cc3)s2)cc1	787336327	DRKAHGSQOISVIW-VUFYJBQKSA-N	403.507	4.917	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3ccc4ccccc4n3)ccc2n1Cc1ccsc1	788525803	OBBOTTWSRGJRCX-UHFFFAOYSA-N	413.506	4.760	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)O[C@@H]2C=CCCCCC2)c(-c2ccccc2)n1	793398363	IYRZWJHMVHFPHL-JNFPJYIDSA-N	400.482	4.803	50	20	HJGD	
CO[C@@]1(C)CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	795293979	VMVPJMTWFNJDDU-AWEZNQCLSA-N	409.442	4.924	50	20	HJGD	
CCOC1CC2(CCN(C(=O)/C(C#N)=C/c3cc(C)n(-c4ccccc4F)c3C)C2)C1	804630141	ZBFHTLMKIFCRNO-UDWIEESQSA-N	421.516	4.558	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCCC[C@@H]2c2ncon2)c(C)n1CCC(C)C	813516841	DGAFFGRBOVMPKN-DMMSUNFISA-N	409.534	4.585	50	20	HJGD	
O=C(NN=Cc1c[nH]c2ccccc12)c1cn(-c2ccccc2)nc1-c1ccccc1	915905636	YJODIWJRMWMIRL-UHFFFAOYSA-N	405.461	4.785	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1	921262655	WPFROCWJOSNMQP-ZSOIEALJSA-N	401.216	4.583	50	20	HJGD	
COc1cc(OC)cc(-c2nnc(/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)o2)c1	1329064324	NCHOHBGSKOGXLY-UFWORHAWSA-N	406.486	4.892	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)CC1	1830564437	JFBPELNTSOIOBV-PZJWPPBQSA-N	422.972	4.775	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2-n2ccnc2)c(C)n1CCC(C)C	725890076	JPEMRPIIEULMDZ-UCQKPKSFSA-N	415.541	4.560	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cnc(-c3ccccc3)s2)cc1	727263506	BPWMQVJMRRPSOW-ATVHPVEESA-N	403.463	4.532	50	20	HJGD	
C[C@H](Oc1ccc(F)cc1Br)C(=O)NNc1cccc(C(F)(F)F)c1	727759225	SXSJNSUPQCDUEA-VIFPVBQESA-N	421.188	4.518	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1C	731171701	YKZFRXIIGMCQAT-BKUYFWCQSA-N	420.557	4.897	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(N2CCCCCC2)nc1	733808063	JGGGNFKYZXPJAR-UHFFFAOYSA-N	423.742	4.635	50	20	HJGD	
Cc1cc(CNC(=O)c2c(C)nn(CCCl)c2C)ccc1Oc1ccc(F)cc1	733926496	PEXZGKVDAVUWJY-UHFFFAOYSA-N	415.896	4.909	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)c1C	737725229	RFHZQRNVPZZDTQ-QTCOBDOFSA-N	420.557	4.676	50	20	HJGD	
CCc1cc(NNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)nc(-c2ccccn2)n1	738531054	SOUWKSDMUUQDIJ-SFTDATJTSA-N	409.493	4.501	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	740137981	SOMIIEMNOSRGFF-UHFFFAOYSA-N	417.231	4.895	50	20	HJGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccc(S(=O)(=O)C2CCCC2)cc1	741463093	YHRXDHFJKCJCRL-UHFFFAOYSA-N	420.534	4.710	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1	741582447	YFBOWYDSTPCBMQ-AWEZNQCLSA-N	400.400	4.813	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1	742349118	JIKKNFLRKKNGCP-XDJHFCHBSA-N	420.476	4.937	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(-c3cccc(F)c3)o2)c1C	744570282	KAPRCQHCISGNLC-YBFXNURJSA-N	422.460	4.745	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	746756308	MJLAMGNAQISPON-LLVKDONJSA-N	406.433	4.923	50	20	HJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1	750043965	PNEXGDJYZXREAU-BAJDGBACSA-N	404.253	4.840	50	20	HJGD	
CN(C)c1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c(F)c1	752015503	MDSIWNKUPDJDPT-UHFFFAOYSA-N	421.097	4.718	50	20	HJGD	
C[C@@H]([C@@H](C)N(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)S(C)(=O)=O	752980237	GGLIRKRFSRQDNV-ZJUUUORDSA-N	410.430	4.629	50	20	HJGD	
N#Cc1ccc(NNC(=O)COc2ccc(C3SCCCS3)cc2)cc1Cl	753303088	SVHFPLRYBSRPEB-UHFFFAOYSA-N	419.959	4.602	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn(CC)c1-c1ccccc1	757598368	RGAMZOUTWXDRIL-UHFFFAOYSA-N	413.319	4.652	50	20	HJGD	
CSc1nc(C(C)C)nc(C)c1C(=O)NNc1c(Cl)cc(F)cc1Cl	768012583	WNHYFVCTGRWEKG-UHFFFAOYSA-N	403.310	4.833	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(SCc3ccccc3)cc2)c([N+](=O)[O-])c1	768331512	AUQROOSZTNNOMS-UHFFFAOYSA-N	409.467	4.653	50	20	HJGD	
COc1cccc(NCC(=O)NN=Cc2c(Cl)cccc2Oc2ccccc2)c1	769569542	JESWDTKMOALFCE-UHFFFAOYSA-N	409.873	4.703	50	20	HJGD	
C[C@H](CBr)CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1	770667626	QWMISMOARZMECY-GOSISDBHSA-N	418.375	4.892	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(F)cc(Cl)cc2F)c(C)n1C[C@@H]1CCCO1	775498849	CIGHHECYVSUNJM-QRMGNNRRSA-N	419.859	4.761	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1cc(F)ccc1OC[C@H]1CCCO1	775611143	WZCCOGPPHLLPDO-OAHLLOKOSA-N	413.371	4.551	50	20	HJGD	
Cc1cc(C)cc(-c2nnc(NC(=O)NNc3ncc(Cl)cc3Cl)s2)c1	775856386	UIFLWJTYYAGPKV-UHFFFAOYSA-N	409.302	4.672	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)c1C	776401634	GXCNZGSKTYKAJV-STZFKDTASA-N	411.521	4.625	50	20	HJGD	
CCOC[C@H]1CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777946929	FLCUAQVUKYBNJF-LBPRGKRZSA-N	409.442	4.781	50	20	HJGD	
Cc1nc(C(=O)NNc2c(F)cc(F)cc2Br)c(-c2ccccc2)s1	778799239	BOKCXDUTHMOXIK-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1	780795509	NJQNGEXAQHHFRO-UHFFFAOYSA-N	419.462	4.614	50	20	HJGD	
CN(C)c1cc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)ccn1	782934485	SLMNOFZSDWWLRJ-UHFFFAOYSA-N	403.398	4.606	50	20	HJGD	
CC(C)n1cccc1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783463202	NEMZQQZDAVBWDT-UHFFFAOYSA-N	418.409	4.845	50	20	HJGD	
COC(=O)c1ccccc1-c1ccccc1C(=O)NNc1ccc(Cl)c(OC)c1	790181146	XQYPOLGISBIUAV-UHFFFAOYSA-N	410.857	4.559	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1ccc(C#N)c(Cl)c1	790929809	CIPFZJPUPYLFOY-UHFFFAOYSA-N	414.893	4.635	50	20	HJGD	
Cc1ccccc1-n1nc(C(=O)NNc2cc(Cl)cc(Cl)c2)c2c1CCC2	791731088	LHMGAMCWNXWEJM-UHFFFAOYSA-N	401.297	4.733	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1cccc(NC(=O)OC)c1C	798030889	FXHSLGLOHPSDIL-UHFFFAOYSA-N	421.295	4.647	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(-c2cccc3cccnc23)cc1	803232099	GFLFMRBGORTEGC-UHFFFAOYSA-N	402.385	4.706	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)C(=O)Nc1cccc(-c2ccccc2)c1	807007744	OGOYNZAXSKFJLS-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	808078655	SMJHLZQTRRDNAO-SFHVURJKSA-N	422.529	4.860	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2-n2cncn2)c(C)n1CC(C)C	883404891	SCRAPKPGJPJRSL-LSCVHKIXSA-N	422.920	4.541	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(Br)c2)cc1Cl	915848717	POXINSXMSHMQDX-GHXNOFRVSA-N	421.678	4.665	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1	915913819	CISHZDTWNRSGKO-OAQYLSRUSA-N	407.901	4.636	50	20	HJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C)O[C@H](C)C2	916568897	KWVWZJAHIRDQHE-JYINPYMRSA-N	418.415	4.789	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCCSc2ccc(Cl)cc2)c1C	916615147	OBWNGKYZHBCZQP-QGOAFFKASA-N	418.946	4.647	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(Br)cc2)c1)C(=O)c1c[nH]c2ccccc12	917145015	NRQDSKFBHTXZCH-DHDCSXOGSA-N	417.266	4.906	50	20	HJGD	
O=C(NN=C1CCC2(CC1)C(=O)Nc1ccccc12)c1cc2c(s1)CCCCCC2	917540347	QCCBUEKMAUHSRB-UHFFFAOYSA-N	421.566	4.957	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccccc3)cs2)c1C	917949750	KEKMJFHOACAUFQ-NDENLUEZSA-N	421.522	4.525	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)cc1	918573689	ASGLLMCZRLKWMN-ORQKMDSUSA-N	417.553	4.541	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3cnco3)cc2)c1C	918628851	QQCABIMNVHNSIQ-UWSDUSPXSA-N	404.470	4.513	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c3nc(C4CC4)no3)c2C)cc1	918955202	RMZSBMVONHOCJH-BRLDDBHUSA-N	416.481	4.874	50	20	HJGD	
C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)[C@](C)(Cl)CCl)CCC2)cc1	1789209638	WYYVOJIVOXYLKY-WIBUTAKZSA-N	411.373	4.793	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c(CC)noc3C)cc2)CCC1	1789814134	UZLYEZYEUYCELD-KRWDZBQOSA-N	417.937	4.701	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccsc4[nH]3)CCC2)cc1	1790489756	KOFRGCDVAVVLFY-MRXNPFEDSA-N	415.946	4.995	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cccc2ccoc12	1791605970	NCYQSNARSMSBAT-UHFFFAOYSA-N	417.292	4.984	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1	6431599	MSDYUEZJGAQSFZ-SDNWHVSQSA-N	410.836	4.528	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)C2c3ccccc3Oc3ccccc32)c1C	6967987	ZUXOKLHGOOBAFV-UHFFFAOYSA-N	403.507	4.559	50	20	HJGD	
Cc1cc(SC#N)ccc1N/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21	136236198	ABSGTPHVMVCCSE-CPNJWEJPSA-N	412.474	4.603	50	20	HJGD	
N#C/C(C(=O)CSc1nnc2sc3ccccc3n12)=C1\Nc2ccccc2S1	207231607	HAVMCCJQVPIZDQ-BOPFTXTBSA-N	421.532	4.558	50	20	HJGD	
CCCOc1cn(-c2ccccc2)nc1C(=O)NNc1ccnc2cc(Cl)ccc12	729514619	DBJRPQMZHUNSMH-UHFFFAOYSA-N	421.888	4.620	50	20	HJGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3nc2Cl)cc1	730150840	DTJULZIINCXDKK-LFIBNONCSA-N	406.873	4.864	50	20	HJGD	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2ccc(Br)s2)cc1	730436945	NTGBSBLAJUKAOU-WQLSENKSSA-N	414.284	4.699	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@H](COc1ccccc1)c1ccccc1	730907025	TZHIVEHDHBPSJP-HXUWFJFHSA-N	413.424	4.734	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(F)cccc2N2CCCC2)c1C	731462694	XAIFDJCRFHHDGS-IZQLPPHKSA-N	424.520	4.597	50	20	HJGD	
Cc1ccccc1[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)C1CC1	732744612	DUSHMVVAPROUBP-HLOXSICISA-N	417.553	4.767	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cccc(COc3cccc(F)c3)c2)c1	734025950	NCIIXPQPRRVXNI-UHFFFAOYSA-N	423.513	4.653	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cnc(-c3ccc(C)cc3)s2)cc1	734307167	WJWIPYAUNSTXGR-LDADJPATSA-N	417.490	4.841	50	20	HJGD	
COc1cc(C(=O)NNc2cc(F)c(F)cc2F)cc(Cl)c1OCC(C)C	734555250	WPXMOAUFWNWTLT-UHFFFAOYSA-N	402.800	4.558	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3c(F)cccc3F)cc(-c3cccs3)nc21	735701458	WHMMKCSMEGGRIS-UHFFFAOYSA-N	413.453	4.776	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(c3cn[nH]c3)CC2)c(C)n1C1CCCCC1	736195474	HFGSNOAIPVYSDO-BKUYFWCQSA-N	405.546	4.646	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc(C2CC2)nc2ccccc12	742108184	JCUGIMRZEGKGRV-UHFFFAOYSA-N	418.241	4.910	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCC[C@@H](O)c2ccccc2)c(C)n1C1CCCCC1	742821651	OEQPKYRXVWYNJJ-GOOXQAOHSA-N	405.542	4.757	50	20	HJGD	
O=C(NCc1coc2ccccc12)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743614248	LHXDTLOXIRIHBK-UHFFFAOYSA-N	400.438	4.636	50	20	HJGD	
CCOc1cc(C(=O)NNc2c(C)cc(C)cc2C)ccc1OCc1cccnc1	743765108	ZYLSPNURNAFISJ-UHFFFAOYSA-N	405.498	4.741	50	20	HJGD	
CC(C)n1nc(C(=O)NN=Cc2sc3ccccc3c2Cl)c2ccccc2c1=O	744739003	ZOYZHJJVKYXNSX-UHFFFAOYSA-N	424.913	4.609	50	20	HJGD	
CCCCCn1nc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	748761031	ZYLLGRKSMDLSKF-QJUACMODSA-N	423.561	4.525	50	20	HJGD	
Cc1noc([C@@H](OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c2ccccc2)n1	750873944	ZGOXPPDMGUATLO-ATEMXAKRSA-N	418.497	4.692	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1csc(-c2ccc3c(c2)OCCO3)n1	752813629	ZBRHGPHQPHRPAS-UHFFFAOYSA-N	422.293	4.645	50	20	HJGD	
COCCc1noc(CN(C)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n1	752981153	WBOYPSYSUAPSLA-UHFFFAOYSA-N	416.372	4.580	50	20	HJGD	
O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)NNc1cc(C(F)(F)F)ccc1F	754572977	MDFJOIPFDJCADA-RDTXWAMCSA-N	411.399	4.639	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)Cc1ccccc1NC(=O)OC(C)(C)C	756518494	ZTNHRCSWVCONDY-UHFFFAOYSA-N	400.431	4.707	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1	765111387	FHLHFYLDNCJMTR-UHFFFAOYSA-N	422.279	4.803	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ncco3)cc2)c1C	766674196	YSCCFYBDXXWPGM-SDLDRHLBSA-N	404.470	4.513	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1OCc1cscn1	767225957	AQMRVTDWGJRWEF-UHFFFAOYSA-N	410.886	4.681	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H]1c1cccc(Br)c1	767295278	POYMXNJJYANYDF-KBPBESRZSA-N	403.158	4.922	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c(-c2cccs2)n1	769552782	XVMKKVZZOJYZQM-FMIVXFBMSA-N	402.401	4.713	50	20	HJGD	
COc1ccccc1CSc1ccccc1NC(=O)NNc1nc(C)cc(C)n1	770074248	YMFHZPVKBBXMFV-UHFFFAOYSA-N	409.515	4.543	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(Br)c(F)c1)c1ncc(-c2ccccc2)o1	771327318	IKGJKKSFGPDVES-NSHDSACASA-N	419.254	4.631	50	20	HJGD	
COc1ccccc1/C=C(/C(=O)NNc1ccnc(Br)c1)c1ccccc1	771541770	UOQFYPRTCOSHRJ-QGOAFFKASA-N	424.298	4.537	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccc(Oc2ccccc2)nc1	771681855	MEPCSZJOGFZRRW-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)cc1Br	776259226	FVGAEGQNMYBUTB-JYRVWZFOSA-N	408.198	4.849	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	777479834	RMRMBIIMQUCQND-UHFFFAOYSA-N	405.461	4.910	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@@H]1CCc2ccc(-c3ccccc3)cc21	779690549	WHSSWKCWDURKSM-XMMPIXPASA-N	422.488	4.533	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ncccc2-c2ccccc2)c1C	780027572	JKDMFDBHXSYTEO-OVBDPADQSA-N	414.509	4.920	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3[nH]c(CC)cc(=O)c3c2)c1C	781436417	RDSSASBVMLVZRW-XDHOZWIPSA-N	416.525	4.855	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2ccc3nc(C)ccc3c2)cc(OCC)c1OCC	783507690	MRNBIQHLZTVCLK-UHFFFAOYSA-N	421.497	4.503	50	20	HJGD	
COc1ccc(NC(=O)[C@@H](OC(=O)/C(C#N)=C\c2ccccc2)c2ccccc2)cc1	785347088	VYAGTWVEHCMWAK-OWFGXHLJSA-N	412.445	4.525	50	20	HJGD	
O=S(=O)(CCCCCl)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	788052242	AWKIKJCKVNGTPD-LLVKDONJSA-N	402.796	4.733	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3)c(C)c2)c1C	790543585	WKCJJHIDLZFRTL-HBEGMLAUSA-N	420.557	4.767	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1ccc(C(F)(F)F)cn1	793849892	BINUDGXTLKNCMP-UHFFFAOYSA-N	410.396	4.513	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3c(OC)cc(OC)cc3OC)n2)cc1	794699564	NLVWRNLOLSZIQO-DHDCSXOGSA-N	408.479	4.909	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H](Sc1ccccc1)c1ccccc1	803431746	GYBOONHOQUFPAI-OAQYLSRUSA-N	401.491	4.505	50	20	HJGD	
CCC[C@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccccn1	804210657	RDAFMZRJKACZIF-INIZCTEOSA-N	415.419	4.584	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccc(-c2ccc(OC(F)F)cc2)s1	805463952	PALDNLCXYKHSRI-UHFFFAOYSA-N	416.453	4.831	50	20	HJGD	
C[C@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)[C@@H](O)c1ccccc1	808340571	OQIORMXJABWEND-XHDPSFHLSA-N	417.421	4.744	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1cc(C2CC2)ccn1	810326788	QPHRAVDILYCILS-UHFFFAOYSA-N	423.476	4.641	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(C#N)cc2)c(C)n1-c1ccccc1F	914498213	VHINOVWXXDCSKN-LPYMAVHISA-N	412.468	4.671	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1csc(-c2ccsc2)n1	920368008	LEOOWYRVQVXXOL-AWEZNQCLSA-N	407.520	4.942	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cc2cccnc2s1	1788584332	UZHCKRNHEVRWGZ-INIZCTEOSA-N	417.893	4.578	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)CCC1	1789720933	LEIGZKKWFVLDED-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1ccc(F)c(F)c1	1790337313	HLBOJYLTIXMMQN-UHFFFAOYSA-N	413.251	4.516	50	20	HJGD	
COc1cc(C)cc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)c1	1790603199	FAYIKYBNHUWLNH-UHFFFAOYSA-N	421.324	4.555	50	20	HJGD	
C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1)c1ccccc1	1832888946	HDLBCNPBVQVTRD-NQIIRXRSSA-N	419.009	4.675	50	20	HJGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)c1nc(O)c2cc(Br)ccc2n1	727974582	NFNYJDYWDHRQEG-YCRREMRBSA-N	406.161	4.579	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCOc2ccccc2C(C)C)c1C	732031847	IYFYLQHLYJEVNT-HBEGMLAUSA-N	423.557	4.538	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNC(=O)CNc3ccccc3)sc2c1	732676114	HOTSREVLNISRLX-UHFFFAOYSA-N	401.919	4.551	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccc(Cl)c(NC(=O)c2cccs2)c1	735691501	CSHAAHAPSGVUCV-UHFFFAOYSA-N	407.829	4.689	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@](C)(O)c2cccs2)c(C)n1C1CCCCC1	740163645	HJOSWAHUZZRPHF-FMTUWFKASA-N	411.571	4.603	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC2(c3cccc(Cl)c3)CC2)c1C	740810633	RMZHHIDJRLLUCT-YLRSXTQRSA-N	411.933	4.678	50	20	HJGD	
CC(C)Oc1ccccc1CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743544665	YSQGFUFXSYHJLK-UHFFFAOYSA-N	418.497	4.677	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)c1	743820059	MEXSITBREIBVOH-OAQYLSRUSA-N	403.551	4.729	50	20	HJGD	
COc1sc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1Br	746519733	FKHBOMLDUQQAOF-RUDMXATFSA-N	405.248	4.929	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	746704185	WGTYBQOQADXMLW-UHFFFAOYSA-N	403.316	4.561	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1ccccc1F)c1ccc2c(c1)CCCC2	748056201	HFMURWJXMFEQQQ-UHFFFAOYSA-N	409.486	4.775	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccc(C(=O)Nc2cccnc2)cc1	748331911	UODZUCWVRRELIH-LJQANCHMSA-N	415.584	4.664	50	20	HJGD	
O=C(CCSc1ccccc1Br)NNc1ccc(OC(F)F)cc1	748638102	RCTQOJPUQDCIJL-UHFFFAOYSA-N	417.275	4.676	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccc(Cl)cc2)c1C	749525633	LJTVKVZLTDGDHR-WBRURWICSA-N	413.949	4.622	50	20	HJGD	
Cc1ccc(SC2(CNC(=O)c3c(C)nn(CCCl)c3C)CCCC2)cc1	750977304	FVWMRMFZCCCTIP-UHFFFAOYSA-N	405.995	4.882	50	20	HJGD	
COCc1nc2cc(NC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)ccc2o1	751052281	XIBPBWOUWWVDFA-GIJQJNRQSA-N	406.486	4.594	50	20	HJGD	
Cc1cccc(-c2n[nH]cc2C=NNC(=O)c2ccc(Br)cc2Cl)c1	755700984	MWTFKAZAYAYVGX-UHFFFAOYSA-N	417.694	4.565	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCC[C@H]2OCC[C@H]12	761617617	KUZZHPUYAAYYKR-CVMIBZJCSA-N	408.873	4.985	50	20	HJGD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762643141	XSXFYVXFFPGHIB-UHFFFAOYSA-N	410.364	4.608	50	20	HJGD	
O=C(Cc1c[nH]c2cc(Br)ccc12)NNc1ccccc1C(F)(F)F	764717477	PVKCJOJWYDEZLU-UHFFFAOYSA-N	412.209	4.635	50	20	HJGD	
N#C/C(=C/c1cc(Br)cc2c1OCC2)c1nc(-c2ccncc2)cs1	764914695	HXTBXZJPJMTUQP-CHHVJCJISA-N	410.296	4.967	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1	767324943	UHMQBGKUOMVJFC-MRXNPFEDSA-N	400.744	4.571	50	20	HJGD	
CCOc1c(Cl)cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1OC	767401844	IWXIOKHVNOQCOZ-UHFFFAOYSA-N	407.656	4.950	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)NNc3ccccc3Cl)ccc21	769993921	NVSGRJHIRFZXOW-UHFFFAOYSA-N	402.882	4.786	50	20	HJGD	
CSc1cccc(C)c1NC(=O)NNC(=O)COc1ccccc1-c1ccccc1	771290800	RTGNLLSWYSUAAH-UHFFFAOYSA-N	421.522	4.616	50	20	HJGD	
COc1ccc(C)nc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782933792	KIHGPADKYGEBME-UHFFFAOYSA-N	404.382	4.857	50	20	HJGD	
CC1(C)C(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1(C)C	783461093	LDZXSJUWCJDOSH-UHFFFAOYSA-N	407.426	4.831	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc2ccccc2n1CC(F)(F)F	787459423	ZWWUDDDNGDNRPE-UHFFFAOYSA-N	412.209	4.723	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2N2CCCCC2)c1C	789971148	RQQMUNLOPLHVFM-UQRWVXEISA-N	420.557	4.848	50	20	HJGD	
O=C(NN=Cc1ccc(-c2cccc(F)c2F)o1)c1cc(F)ccc1Br	790162313	PUWNTPZUMHABPG-UHFFFAOYSA-N	423.188	4.890	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br	794955698	ZUWUZDZWGJNQSO-UHFFFAOYSA-N	410.243	4.685	50	20	HJGD	
Cc1c(NNC(=O)C(C)(C)c2csc(-c3cccs3)n2)cccc1[N+](=O)[O-]	800520642	LMTGYBKDJRGSGB-UHFFFAOYSA-N	402.501	4.509	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H]1COc2ccccc2[C@H]1O	808843104	LINIRVVHTRTREZ-UKRRQHHQSA-N	410.364	4.960	50	20	HJGD	
COc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1OC	817016223	LQMABXPMHJCGBA-UHFFFAOYSA-N	422.325	4.807	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2C)c1C	855634853	VNPIREAZJQLRMI-WNKWUZSHSA-N	421.541	4.539	50	20	HJGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)CSc3ccc(Cl)cc3)sc2n1	874054097	AHIOAEZSQNMUGC-UHFFFAOYSA-N	404.948	4.512	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)c(C)n1-c1ccc(F)c(F)c1F	914786843	QZCMUDSETAUZSX-WJDWOHSUSA-N	411.431	4.894	50	20	HJGD	
COc1cc(C=NNC(=O)CNc2ccc(C)cc2C)c(-c2ccccc2)cc1OC	915270915	UVOLUBYAWACUBN-UHFFFAOYSA-N	417.509	4.550	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2ccc(F)cc2)s1	916145488	UZVSDFMEGKJJQQ-CHWSQXEVSA-N	414.424	4.684	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	917536355	SDDRREJLRCHNLW-UHFFFAOYSA-N	410.949	4.809	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)NC1(C2CC2)CCOCC1	1325557801	GBXAHYYEYNTLAB-AWEZNQCLSA-N	408.873	4.987	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cccc2ncsc12	1788585067	OXHBZJHZYVVGRN-KRWDZBQOSA-N	417.893	4.578	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c1C	5870552	OMUNHEHBUNXUIT-UDWIEESQSA-N	407.514	4.601	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2sc3cc(F)ccc3c2Cl)c1	15427908	IPMKODFWLVMTDY-UHFFFAOYSA-N	407.923	4.942	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1O	43079159	WBDAPGGYDYULBA-OVCLIPMQSA-N	415.287	4.716	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)ccc1OC(C)C	55041071	IBZMGWAIOWVZRQ-GDNBJRDFSA-N	415.287	4.791	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](c2ccccc2)C(C)C)c1C	106233078	WRFBQCXNKKWWGA-LKWIYPIYSA-N	407.558	4.775	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3cnn(C(C)C)c3c2)c1C	195743638	KPBOWSNTLCBWPE-SOFYTKRASA-N	419.529	4.789	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc3ccccc3n2C(F)F)c1C	210410448	WRUHUUTWHWFXRV-BOPFTXTBSA-N	412.440	4.910	50	20	HJGD	
CN(C[C@@H]1CCCO[C@H]1c1ccccc1)S(=O)(=O)c1ccc(CCCCl)cc1	726975114	VQIJXHIATLZXBZ-UNMCSNQZSA-N	421.990	4.646	50	20	HJGD	
Cc1ccc(Cl)c(NC(=S)NNC(=O)Nc2cc(F)cc(F)c2)c1Cl	728444074	GBMQJVQLQOGCSU-UHFFFAOYSA-N	405.257	4.603	50	20	HJGD	
C[C@@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)C(C#N)=C1Nc2ccccc2N1	729051748	XALUGDCJHVYSAK-LLVKDONJSA-N	419.535	4.502	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCc2nnsc2Cl)c1C	729444955	NORWWOYCSRIAQS-CXUHLZMHSA-N	412.902	4.558	50	20	HJGD	
COc1cccc2cc(C(C)=NNC(=O)Cc3nc(-c4ccccc4)cs3)oc12	730572297	CWJARQVFCDYOMP-UHFFFAOYSA-N	405.479	4.648	50	20	HJGD	
CCSc1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cn1	731477926	SEUWBOZAINXHAQ-UHFFFAOYSA-N	420.254	4.732	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1ccc(Br)nc1	732838353	NFQCHRXVFPDUBW-UHFFFAOYSA-N	423.723	4.686	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(CC(F)(F)F)c2)c1C	742827373	ZVCOGOIDHQZVSB-SMLKNPDNSA-N	419.447	4.963	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1	746682416	MDLKYOLVKXGQNY-NSHDSACASA-N	412.342	4.513	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cccc(F)c3)c3ccccc3n2)cc1OC	748099049	RYUJPNAUZRFIMW-UHFFFAOYSA-N	417.440	4.815	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)cc1	748116525	IMIFYCKMJJXYRJ-UHFFFAOYSA-N	403.385	4.942	50	20	HJGD	
COc1cc(C)c(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1OC	751447913	UAIZOBKKEOEBIT-LZYBPNLTSA-N	406.404	4.783	50	20	HJGD	
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752978032	RPJWHRPEPFAKTJ-RYUDHWBXSA-N	422.441	4.821	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cc(-c2ccccn2)ccc1Cl	754874908	KGJXGZTUDJBEFU-UHFFFAOYSA-N	417.321	4.687	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccccc2F)c(C)n1-c1ccccc1F	755639716	FWXUXULEKYDRAZ-PDGQHHTCSA-N	420.415	4.705	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1	756983542	QWWGIEKOGSSQHU-UHFFFAOYSA-N	416.506	4.599	50	20	HJGD	
Cc1ccc(-c2cccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)c2)cc1	757528033	SHIBRCPYZLHCQY-XQNSMLJCSA-N	409.489	4.910	50	20	HJGD	
C[C@H]1c2cc(F)cc(F)c2CCN1CCP(=O)(c1ccccc1)c1ccccc1	758755650	RBUSEPBPMKKTKU-SFHVURJKSA-N	411.432	4.898	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)c1	759325298	JFJDYXXIZCUZNA-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1	760034631	PAAMFEFOLDXSQZ-IAGOWNOFSA-N	417.543	4.902	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1-c1ccccc1	760127540	PSFGOFPVFPJHQW-UHFFFAOYSA-N	413.865	4.525	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	767718818	ZXPSURJQMWJMTI-LFYBBSHMSA-N	415.833	4.559	50	20	HJGD	
CC(C)n1cnnc1-c1ccccc1NC(=O)NNc1c(Cl)cccc1Cl	775667427	QXRSWIKCQQEQLY-UHFFFAOYSA-N	405.289	4.981	50	20	HJGD	
CC(C)(C)OC(=O)N[C@H](CCC(=O)NNc1ccc2ccccc2n1)c1ccccc1	777460032	LEALHSCJMJZWJZ-HXUWFJFHSA-N	420.513	4.724	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1	777513958	NIONYUYMEKUNHV-LGMDPLHJSA-N	410.433	4.834	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1	778614605	VQNJKEHXHFDUTJ-JOCHJYFZSA-N	403.457	4.559	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)NNc2ccccn2)c(C(F)(F)F)c1	779052778	SXAZTSCYJWFZIJ-UHFFFAOYSA-N	411.384	4.596	50	20	HJGD	
C[C@H](c1ccccc1)n1ccc(NC(=O)NNc2ccccc2OC(F)(F)F)n1	779440229	VJDFVDHUDNMALK-CYBMUJFWSA-N	405.380	4.540	50	20	HJGD	
COC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	781661455	UTQGSRVGMOWCRO-UHFFFAOYSA-N	417.377	4.931	50	20	HJGD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NNc1ccccc1F	782708922	YANVBOYCLABZGA-UHFFFAOYSA-N	401.507	4.641	50	20	HJGD	
Cc1ccc(-c2ncccc2NC(=O)C(=O)NNc2c(Cl)cccc2Cl)s1	782713616	KVRVLSOPHILPEW-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
C[C@@H](CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)CN1CCCCC1	782983239	MDMFLLDAOLQICW-ZDUSSCGKSA-N	422.485	4.744	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1Cl	787146133	VROGYYZDWFRLHW-KNGSKEOJSA-N	415.324	4.773	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790561839	XADANOJSFRVZQZ-JSGCOSHPSA-N	419.298	4.726	50	20	HJGD	
CC[C@H](C)n1ncc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1C1CC1	802037623	NSPQDKJYGRTUDF-INIZCTEOSA-N	417.513	4.865	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2c(F)cncc2F)c(C)n1-c1ccccc1F	804825619	AVEIZWNQNQWGEV-VEJKBTLKSA-N	424.426	4.691	50	20	HJGD	
COc1ccccc1/C=C(\C(=O)NNc1ccc([N+](=O)[O-])cc1C)c1ccccc1	805372852	GHPKMJCWNALDQK-HKWRFOASSA-N	403.438	4.596	50	20	HJGD	
COc1ccc(CCn2c(C)cc(-c3csc(/C(C#N)=C(\C)N)n3)c2C)cc1OC	806552982	CWGIIJLZUPSHSJ-XDJHFCHBSA-N	422.554	4.702	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1nc2ccccc2cc1Br	807924760	UFZFYOGBGWXPLR-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cc(OC)c(C)c2C)c1C	809190222	DDQVFEXAGCZYMG-NBZOHKLQSA-N	409.530	4.792	50	20	HJGD	
CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)c1ccc(COc2ccccc2)o1	814762213	RRRRFJZKRUCPJR-NTKDMRAZSA-N	418.493	4.927	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C(/C#N)C(=O)NC1CCCC1	834902536	IPJFNFBZTNWSGI-GDNBJRDFSA-N	403.313	4.512	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2C)c1C	855634922	XWIPXLQXUYPKKB-UOIFGXKSSA-N	407.514	4.609	50	20	HJGD	
CC(C)NC(=O)c1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	916712460	OYGJYMBZORXINF-UHFFFAOYSA-N	402.498	4.568	50	20	HJGD	
O=C(NNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)NC1CCCCC1	917906659	FTMGMHDMWCGGMW-UHFFFAOYSA-N	423.410	4.788	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNc2cncc(Br)c2)cc1OC	1323070951	LIZPDGSASPLICN-UHFFFAOYSA-N	422.323	4.569	50	20	HJGD	
O=C(Cc1ccccc1Cl)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1787749289	QUAWKPLASPGAKM-SFHVURJKSA-N	409.288	4.551	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3cccc(F)c3)cc2)CCC1	1787754491	UGAGCSSPWRVTLE-LJQANCHMSA-N	402.897	4.520	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(C)s2)CC1	1832173644	LMBKHKWWRGYWTK-ILXKITPQSA-N	423.022	4.707	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)COc1ccccc1-c1ccccc1	7258038	LOCFCHMAVROFCE-UHFFFAOYSA-N	419.550	4.621	50	20	HJGD	
CCOc1ccc(-c2nc(CC(=O)NNc3cccc(C(F)(F)F)c3)cs2)cc1	728716480	OYSONTLUTFVAPD-UHFFFAOYSA-N	421.444	4.913	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4c(F)cccc4F)cc3)o2)c1	735696543	YHMUXTWULNEAIY-UHFFFAOYSA-N	406.392	4.747	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccsc1	737469034	AKOPZUISXBZLCP-CQSZACIVSA-N	414.914	4.545	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNc1c(Cl)cc(Br)cc1Cl	742005248	QKZJVIGZCAYDIY-ZCFIWIBFSA-N	407.095	4.608	50	20	HJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNC(=O)NCc3cccc(C(F)(F)F)c3)oc12	742448595	SMAJLMNPTZSRSG-UHFFFAOYSA-N	419.403	4.521	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c(C)c1	743761740	PFBZLEJVVLCICH-UHFFFAOYSA-N	423.826	4.622	50	20	HJGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1sc(-c2cccnc2)nc1C	747610894	HEJQHLZBYNNJEA-UHFFFAOYSA-N	405.310	4.974	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1OCC	748665972	MJVDZCMBQQEVCZ-UHFFFAOYSA-N	407.854	4.501	50	20	HJGD	
COCc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)sc2cccc(F)c12	748726578	IVMWYCFYODAJJK-UHFFFAOYSA-N	409.826	4.505	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=NNC(=O)c2ccc(C)o2)cc1	752176003	RPGOJZFSEPOJBA-UHFFFAOYSA-N	402.429	4.652	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc(CCC(F)(F)F)cc1	752297292	RJVYWTNTCPOAHC-UHFFFAOYSA-N	409.477	4.936	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1cccc(NC(=O)C(C)C)c1	752464837	CBYCXJIIOMXMSJ-UHFFFAOYSA-N	419.323	4.755	50	20	HJGD	
O=C(NCCC(=O)N1CCCCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752981457	SLWCQDNAQYRTGM-UHFFFAOYSA-N	401.401	4.868	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	753657388	AJYMTUNCHTUQGE-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc1	754470693	YSVKMMYBFMIFML-UHFFFAOYSA-N	424.464	4.545	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2cccnc2Cl)cc1	754480522	WRMFVKOMYBTVCE-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)NNC(=O)c2cccc3ncccc23)c(C)c1	756280486	PGEILCAQQCNVTO-HNNXBMFYSA-N	408.527	4.900	50	20	HJGD	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)Cc1cccc2ccccc12	756486662	FCDFKKAMPVABAP-INIZCTEOSA-N	418.522	4.629	50	20	HJGD	
CC(C)OCCOCc1cccc(NC(=O)NNc2ccccc2C(F)(F)F)c1	769986852	WOHLWFWGXLCTEI-UHFFFAOYSA-N	411.424	4.796	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccccc1-c1ccccc1C#N	771242414	GXGYUGXDMXYCNR-UHFFFAOYSA-N	414.534	4.728	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@H](CN2CCCC2)C1	775293944	RESNXIOFDARRQU-CJNGLKHVSA-N	421.916	4.856	50	20	HJGD	
O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NNc1ccccc1OC(F)(F)F	779217353	OZLCZHUNTSTVFY-UHFFFAOYSA-N	411.767	4.579	50	20	HJGD	
Cc1cccc([C@@H](NC(=O)NNc2ccccc2OC(F)(F)F)c2ccccn2)c1	779656236	NGYAMYSWWBHIFO-LJQANCHMSA-N	416.403	4.704	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ncsc1-c1ccccc1	782504336	ONGROUNIGWTDRR-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(-c3ccncc3)ccc2OC)cc1	787153507	DYKZMNUSTZWOGC-WPGBELRESA-N	413.477	4.550	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(Oc3cccnc3)c(C)c2)cc1	787156435	ZJJNPPRHKCRYKB-SBGXLDQMSA-N	413.477	4.975	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cnc(-c3ccc(Cl)cc3)s2)cc1	789127415	JYPMYRRCJOJEMM-ATVHPVEESA-N	423.925	4.738	50	20	HJGD	
CC(=O)c1cccc(OCc2cc(C(=O)NNc3c(C)cccc3C(C)C)no2)c1	794948076	HHJXCXCNBHADEU-UHFFFAOYSA-N	407.470	4.645	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	799027136	UUUMTZKGNDCFCP-SSZFMOIBSA-N	418.390	4.805	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1cccnc1-c1ccc(Cl)s1	806445431	PNAFOPGSJMXZMU-UHFFFAOYSA-N	400.895	4.670	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c(-c2ccc3c(c2)OCCCO3)n1	810218041	FFXIRFMDHRJXQD-YVLHZVERSA-N	419.868	4.692	50	20	HJGD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCC1(F)F	810440092	PWNSFCHUSXGFSK-SECBINFHSA-N	408.339	4.786	50	20	HJGD	
CCCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	810489701	NSJCYQZDGQUIKI-GFCCVEGCSA-N	417.444	4.519	50	20	HJGD	
COc1ccc(C(=O)C2CCN(Cc3ccc(OCCCCl)cc3)CC2)cc1	811454071	GBSMAVXNFIYHLV-UHFFFAOYSA-N	401.934	4.798	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cccnc2)c(C)n1-c1ccc(Cl)cc1	858695143	DHFUNNAQTKHXAK-NDENLUEZSA-N	404.901	4.708	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C)n1CCC(C)C	914728614	DANOUNUNGDOZQQ-BKUYFWCQSA-N	408.502	4.625	50	20	HJGD	
Cc1cc2cc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)ccc2[nH]1	914763881	UJSNFNMSJYLCHG-VMOHIOPYSA-N	402.498	4.619	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CCC1	1786912778	JHYHTKSMGXIXBN-TZZQJPOUSA-N	400.906	4.834	50	20	HJGD	
Cc1cc(C)nc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)c1	1788349624	KDXVZYZOTCLRIQ-UHFFFAOYSA-N	413.949	4.711	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1	1829976582	ZXAYLTULKDWEIR-RTBURBONSA-N	411.373	4.591	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C)c2)CC1	1830303492	NECLETBVFNSSDD-YADHBBJMSA-N	419.009	4.565	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1C1CC1	1847490705	VBVCOLGNHYPFMK-CZYKHXBRSA-N	423.041	4.984	50	20	HJGD	
O=S(=O)(Nc1cc(Br)ccc1F)c1ccc(CCCCl)cc1	303537384	SZCCMRNXMYOWPG-UHFFFAOYSA-N	406.704	4.560	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2N2CCOC2=O)c(C)n1CCC(C)C	726506675	JJVXMADQADNOSS-ZHZULCJRSA-N	420.513	4.653	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCCc3c(C)ccc(OC)c32)c1C	727667368	STAGTCRVJLYKFH-LZAZYHHXSA-N	421.541	4.516	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)ccc1F	730586687	AIQOEBRZTCJNGR-UHFFFAOYSA-N	413.371	4.948	50	20	HJGD	
O=C(NN=Cc1cccc(F)c1F)c1ccc(COc2ccc(Cl)cc2)cc1	730727517	WICBEUWMMHZJPV-UHFFFAOYSA-N	400.812	4.961	50	20	HJGD	
COCc1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)ccc1F	730756908	NYQWWEIHXCZQOY-CIAFOILYSA-N	411.521	4.660	50	20	HJGD	
Cc1cccc(Oc2ccc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)cn2)c1C	734462328	CLSDNYOYZXTDHZ-GRSHGNNSSA-N	411.465	4.555	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cn(Cc2ccccc2)nc1-c1cccs1	735697794	HTFPAVLEDSKRQL-UHFFFAOYSA-N	410.449	4.695	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cn(Cc2ccccc2)c2ccccc12	740137889	LROGJIPOMVXRIB-UHFFFAOYSA-N	410.399	4.860	50	20	HJGD	
O=C(NNc1cccnn1)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	743461083	BNNFZTWFTMLQAG-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
CCC(=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C1CCOCC1	745192897	VQVZYSYBPJGUOP-UHFFFAOYSA-N	405.473	4.963	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cc(C)c(OCC(=O)OC)c(C)c1	746341008	ZOCISJWYVNVLQB-BKUYFWCQSA-N	420.509	4.526	50	20	HJGD	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NNc1ccc(OCC(F)(F)F)cc1	748701792	BVZXBPPMJFYUPH-NRUITVPNSA-N	408.420	4.962	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(F)(F)F	750895977	LGVFPGHUZKLKFW-GZQZNAIASA-N	418.415	4.811	50	20	HJGD	
Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1ccc(CCCCl)cc1	751271649	KMHMRYZZTZWXJM-UHFFFAOYSA-N	417.918	4.550	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)NNC(=O)CC(F)(F)F)c(C(F)(F)F)c1	756279379	ASXHXDKTVKHLJL-QMMMGPOBSA-N	417.375	4.701	50	20	HJGD	
COc1ccccc1SCC(=O)NN=Cc1ccc(-c2nc3ccccc3s2)o1	761270726	CGVUTYNMRNNIIO-UHFFFAOYSA-N	423.519	4.807	50	20	HJGD	
CC(C)Cn1cnc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	766569026	BMHVNYQDGBKCMF-UHFFFAOYSA-N	405.414	4.997	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(Cl)nc1C(F)(F)F	766854453	IZOJGKJFMRJZEI-UHFFFAOYSA-N	402.562	4.957	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	770258903	MGAMEKIZHHGIAX-UHFFFAOYSA-N	424.892	4.654	50	20	HJGD	
C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NNc1ncc(Cl)cc1Cl	775271345	JSLWFRACNWEYDD-GFCCVEGCSA-N	417.296	4.690	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1	776640569	LTEAQZHZGXFAEL-QNJILJPISA-N	404.416	4.678	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC[C@@H](C(F)(F)F)C3)s2)cc1	783514241	LGDUYNQAONQCGN-GFCCVEGCSA-N	411.449	4.844	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1cccc(OCc2ccccn2)c1	785356535	XIKMBMFUYBVTTN-NNIWKIFQSA-N	401.441	4.584	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	787154938	NJCGPVPTTZETTK-COYFKBPASA-N	417.421	4.648	50	20	HJGD	
N#C/C(=C\c1cccc(C(=O)O)c1Cl)c1nc(O)c2c3c(sc2n1)CCCC3	787170387	YRRAKHIQKOXVCH-DHZHZOJOSA-N	411.870	4.691	50	20	HJGD	
COc1ccccc1-c1cc(C(=O)NN=C(C)[C@@H]2C[C@H]2c2ccc(Cl)s2)n[nH]1	788435124	OSFZWYIUSXQGRW-UONOGXRCSA-N	414.918	4.710	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@@H](c1cccc(F)c1)c1ccccn1	790440747	XMWKGNAHERDBIB-SFHVURJKSA-N	405.260	4.943	50	20	HJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)c1nc(O)c2c3c(sc2n1)CCCC3	794934217	PIIWGCHNWRMWQK-ZSOIEALJSA-N	405.479	4.655	50	20	HJGD	
N#C/C(=C/c1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)c1ccc2ncccc2c1	794964637	GPZDUVDOMCGTGC-GDNBJRDFSA-N	420.259	4.912	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)Nc1ccc2nc(C(F)F)sc2c1	806698738	SPIZOICURIAGEK-UHFFFAOYSA-N	412.421	4.854	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1cn2ccc(Br)cc2n1	811686004	KITOHMNWJCIECC-MHWRWJLKSA-N	423.314	4.767	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@H]1c2ccccc2CC12CCOCC2	812561764	WGNSVWKTYFEWJR-SFHVURJKSA-N	406.313	4.714	50	20	HJGD	
Cc1nc(C(C)C)oc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	815541427	FBFWWXKSOLTVDT-UHFFFAOYSA-N	406.202	4.645	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1	857496684	UEPDHSXNPUMEPX-UHFFFAOYSA-N	410.905	4.518	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OCCN3CCCC3)cc2)c1C	914786597	IPKVRQRVBXKVLS-XLNRJJMWSA-N	403.526	4.555	50	20	HJGD	
O=C(NN=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1c[nH]c2ccccc12	916288069	UMDGMULXSIICPI-UHFFFAOYSA-N	418.384	4.771	50	20	HJGD	
CCCCn1nc(C)c(C=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1Cl	916336341	CGDKRGUYLLBFMH-INIZCTEOSA-N	412.921	4.716	50	20	HJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1ccccc1Br	1116342723	SGKIFQKQDNPCPP-UHFFFAOYSA-N	400.276	4.984	50	20	HJGD	
O=C(NCCCCOc1ccccc1)NNc1nc(Cl)c(Cl)cc1Cl	1317878928	RGUHCRNYTSEXIR-UHFFFAOYSA-N	403.697	4.527	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3csc(C)n3)cc2)CCC1	1786858824	HBYUIWAIPNCFQZ-GOSISDBHSA-N	419.978	4.536	50	20	HJGD	
Cc1ccc([C@@H](C)C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)cc1	1788587644	KTQRQIGNEUCCIG-DNVCBOLYSA-N	402.897	4.767	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C)n(C)c3C)cc2)CCC1	1789973867	FKKDYUYNCTXYFE-FQEVSTJZSA-N	415.965	4.797	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC1	1790292176	MHLCHQBAPLFSTL-UHFFFAOYSA-N	402.897	4.838	50	20	HJGD	
COc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)cc1	1790299711	RHCCKCYMFUAMQN-UHFFFAOYSA-N	414.933	4.708	50	20	HJGD	
CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)c1	1790342965	SAEABNYILBHLFS-UHFFFAOYSA-N	421.324	4.637	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(OC)c3)CCC2)cc1	1790488452	QOGJJJNRWCPGND-KRWDZBQOSA-N	418.896	4.599	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(C)c(C)c2)c1C	24001441	NMKKIDRGNHZIHP-DBRLUCFCSA-N	407.514	4.609	50	20	HJGD	
CN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(CCCCl)cc1	303085346	BCLKYQLLVSHLTB-UHFFFAOYSA-N	422.797	4.503	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c(C)n1CCC(C)C	303178011	CNJNZDOWZQKQJC-BKUYFWCQSA-N	418.541	4.606	50	20	HJGD	
C[C@@H](CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1c(Cl)cccc1Cl	726279669	FUAZZDZJOKVUDL-PXRHCINRSA-N	424.372	4.644	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cc2c(Cl)c(Cl)ccc2[nH]1	727804527	FITUTDNUMCZWLY-UHFFFAOYSA-N	417.079	4.856	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c2c(c1)C[C@@H](C)O2	728439596	BIVKFNDYLUAKPM-QDLULRBISA-N	418.415	4.789	50	20	HJGD	
CSc1nccn1-c1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	729514969	RVUQDEILHLCAKQ-UHFFFAOYSA-N	409.902	4.553	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H](CN3CCCC[C@@H]3C)C2)c1C	733779882	SLOVSJFIQQQCLA-YRCOCICZSA-N	410.606	4.535	50	20	HJGD	
C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NNc1nccc2sccc12	734249821	IDXZOTLSHREXPY-CQSZACIVSA-N	404.495	4.597	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@H](CO)c1ccc(F)cc1	734927362	LGZOQPJBVQUMRR-UKRRQHHQSA-N	422.831	4.900	50	20	HJGD	
COc1ccc(Cl)c(NC(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)c1	741865934	WATAXTJMNOVUGV-UHFFFAOYSA-N	419.721	4.679	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c1C	741974765	YQWLJRVPGNBOQC-DHLQFZLGSA-N	419.569	4.872	50	20	HJGD	
O=P(CCN[C@@H](c1ccccc1)C(F)(F)F)(c1ccccc1)c1ccccc1	744235934	DUQOMPJEDNTIHY-NRFANRHFSA-N	403.384	4.894	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	744502182	NKPXNOXIIFAKRP-GULXKOIASA-N	403.265	4.779	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc3cc(Br)ccc3[nH]2)cc1C(F)(F)F	746894892	CZGYRMCOMQIIPD-UHFFFAOYSA-N	423.192	4.578	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1	748785784	STQUTFKYWGZLMA-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
COc1ccc(N2CCC(=NNC(=O)c3sc(-c4ccccc4)nc3C)CC2)cc1	750930762	LJSADWVQTZBVHO-UHFFFAOYSA-N	420.538	4.513	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc2cccc(Cl)c2o1	753234865	SXCKOCXDOMZIAV-UHFFFAOYSA-N	401.594	4.884	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	755407042	HTRZEMXBAQYQQO-NTUHNPAUSA-N	408.351	4.756	50	20	HJGD	
CC(=O)N[C@H](CC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccc(Cl)cc1	757421000	ANTRBEFSDQJNEO-GOSISDBHSA-N	412.829	4.574	50	20	HJGD	
Cc1ccc(C(=O)CC(C)(C)CC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	759378643	MKGFCWKQQMPQDA-UHFFFAOYSA-N	421.324	4.752	50	20	HJGD	
O=C(Cc1ccccc1F)NNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762980347	PEZWASODDBIPCE-UHFFFAOYSA-N	413.343	4.879	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCC[C@@H](C)C3)s2)cc1	764762152	LXJSUKSKUDMLCI-CQSZACIVSA-N	420.629	4.913	50	20	HJGD	
CC(C)Oc1ccc2ccccc2c1CNC(=O)NNC(=O)c1cc2ccccc2o1	766624931	RSFDKIYLVCNDJP-UHFFFAOYSA-N	417.465	4.517	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C/c3cnn(Cc4ccccc4Cl)c3)nc(O)c2c1C	767898747	BJNXVMTWBIDVEL-FRKPEAEDSA-N	421.913	4.976	50	20	HJGD	
COc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(Br)c1	768010395	DWVMJNXYMASJNZ-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)Nc1ccc(-c2nc3ccccc3o2)cc1	771103836	JAHDSIKLXWHBEM-UHFFFAOYSA-N	424.258	4.801	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Br)c(F)c2)cnn1C1CCCC1	771678664	KADPRVRWLOGIGI-UHFFFAOYSA-N	409.303	4.609	50	20	HJGD	
COc1ccc2[nH]cc(C3CCN(C(=O)[C@H](Br)C(C)(C)C)CC3)c2c1	781081231	XVKUYEWCNNJZKR-SFHVURJKSA-N	407.352	4.692	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc2cnn(C(C)C)c2nc1Cl)c1ccccc1	787144438	JUFWNAPDWCMIMO-DMVFFGLYSA-N	407.905	4.840	50	20	HJGD	
CCOC(=O)c1csc([C@H]2CCCN2C(=O)CCCC[C@@H]2CCSS2)n1	791913915	OWHWNWDCWUAEPU-UKRRQHHQSA-N	414.618	4.697	50	20	HJGD	
C=C(CBr)COC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	795421152	LOTHUKNWWKAOQY-UHFFFAOYSA-N	420.250	4.866	50	20	HJGD	
O=C(NNc1ncccc1F)c1ccccc1Oc1cccc(Br)c1	804219187	SGHQDUDTDTUGTC-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc3nc(C(F)F)sc3c2)cc1	806967490	GQEUJMLDIKCMIL-UHFFFAOYSA-N	418.469	4.613	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1ccccc1Sc1ccc(Br)cn1	808245931	JIXTZKLUJADGEQ-UHFFFAOYSA-N	420.159	4.871	50	20	HJGD	
O=C(COc1ccccc1O)NN=Cc1ccccc1Oc1ccc(F)cc1Cl	814953095	UHMNIKGWZGNYGI-UHFFFAOYSA-N	414.820	4.506	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccccc1Oc1ccccc1C#N	816485674	WBTAOLZDOIGVRV-UHFFFAOYSA-N	407.861	4.674	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c(C(F)(F)F)c1	816702925	IGBREDUYRZHLMH-UHFFFAOYSA-N	416.403	4.534	50	20	HJGD	
O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NNc1cccc(Cl)n1	817004514	FSHURSCGWDAWOC-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)CCCC[C@@H]2CCSS2)C1=O	818638687	GNASIPBORVCMDL-ATZDWAIDSA-N	424.607	4.708	50	20	HJGD	
CCN(Cc1ccccc1C)C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	914504523	HZOQVLZHHQWEJG-JXCKLXDISA-N	405.542	4.548	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2cccc(C#N)c2)c1)C(=O)c1ccc2c(c1)OCO2	915990396	RXJKLRDPTYCMRW-UFFVCSGVSA-N	408.413	4.656	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)CCSc3ccc(F)cc3)c2C)cc1	916345729	CMXGMNVUKWPACW-UHFFFAOYSA-N	424.545	4.628	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccccc3I)c[nH]c2c1	920068560	RSBYPOWQERFRHR-NTEUORMPSA-N	412.230	4.871	50	20	HJGD	
O=C(NN=Cc1cn(Cc2ccccc2)c2ccccc12)c1nnc(-c2ccccc2)o1	920381282	KYMJXUPJTRDLOH-UHFFFAOYSA-N	421.460	4.504	50	20	HJGD	
CC(C)n1ncc2c1[C@@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)CCC2	1321195289	VZGVJKXYDJFAFI-AWEZNQCLSA-N	400.285	4.614	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)cc1Cl	1323252219	IDPUJDNBLWBGKJ-UHFFFAOYSA-N	401.772	4.516	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]3C)CCC2)cc1	1786070570	ISMUHEZUULTXKV-HDMKZQKVSA-N	421.379	4.588	50	20	HJGD	
C[C@@H](CBr)C(=O)Nc1ccc(C2(NC(=O)CC3CCCC3)CCC2)cc1	1786070735	WVJSWIPJYUZBLA-HNNXBMFYSA-N	421.379	4.732	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCBr)CCC2)cc1	1789451691	SMXSUFGYZIGWAM-GOSISDBHSA-N	419.363	4.674	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)c3ccccc3)CCC2)cc1	1790488053	SCDPSQQWMHMRPX-OALUTQOASA-N	402.897	4.849	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4cn3)CCC2)cc1	1790489464	DKNPAVCIPOMMKY-QGZVFWFLSA-N	411.889	4.593	50	20	HJGD	
Cc1cc(OC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)ccc1[N+](=O)[O-]	112607968	GKDFRWXGRCPPEV-SFHVURJKSA-N	418.449	4.514	50	20	HJGD	
O=C(NC[C@@H](O)c1cccc(F)c1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	728735070	JUGJOOPVJFDYTG-UKRRQHHQSA-N	422.831	4.900	50	20	HJGD	
Cc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)c(C)n1-c1ccc(C#N)cc1	729514854	JGSZQPBFOLVJPQ-UHFFFAOYSA-N	415.884	4.924	50	20	HJGD	
COc1ccccc1-c1cc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)n[nH]1	729528717	GPBHGUFSXPNZNQ-YBFXNURJSA-N	417.513	4.705	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC[C@H](C2OCCO2)C1	729553483	QNBQQYJREQWVFQ-NHYWBVRUSA-N	424.872	4.523	50	20	HJGD	
Cc1ccccc1Oc1ccccc1CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	730223294	AKUJVGZTMHDZIG-MTJSOVHGSA-N	410.477	4.529	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12	731981823	RMSGWVFSWMAHDJ-UHFFFAOYSA-N	415.468	4.676	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3C[C@@H](OCC(C)C)C3(C)C)s2)cc1	737427432	LLQCGUDYPKUUCS-LJQANCHMSA-N	415.559	4.563	50	20	HJGD	
COc1cccc(Oc2ncccc2CNC(=O)NNc2c(C)cc(C)cc2C)c1	741428703	YSDBNIBSIAWLDA-UHFFFAOYSA-N	406.486	4.634	50	20	HJGD	
C[C@H]1CC(=NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)CCN1C	741452594	BFZCVWPGNYDTAW-SFHVURJKSA-N	401.510	4.619	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3OC)cc2)cc1OC	741468108	FKYWAYNLAJWIIY-RGEXLXHISA-N	414.461	4.925	50	20	HJGD	
Cc1cc(C)n([C@H](C)CC(=O)NNc2c(Cl)cc(Br)cc2Cl)n1	742005620	CERWLPZPUCNUBO-SNVBAGLBSA-N	420.138	4.664	50	20	HJGD	
Cc1nc(COc2ccccc2C(=O)NNc2ccccc2Br)cs1	748058438	MINUAGCOTYSCGK-UHFFFAOYSA-N	418.316	4.550	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(Oc2ccccc2)o1	748718287	HYXBNFAFGWEDIH-UHFFFAOYSA-N	409.186	4.870	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)c(C)n1CC(C)C	749141461	IRMFOMVFMZSMDF-LSCVHKIXSA-N	422.920	4.541	50	20	HJGD	
COc1ccc2[nH]cc(C3CCN(/C(=C\C#N)c4ccc([N+](=O)[O-])cc4)CC3)c2c1	750037806	CEXPNPSFMSDHOM-NYAPKIOYSA-N	402.454	4.829	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(C(F)(F)F)nn1)c1ccc(-c2ccccc2)cc1	755189548	QDKIRLRTORILCN-UHFFFAOYSA-N	400.404	4.583	50	20	HJGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1	756783758	LUMUUAKHFRGDKW-UKTHLTGXSA-N	407.214	4.905	50	20	HJGD	
N#C/C(=C\c1cc(Br)cc(C(F)(F)F)c1)c1nnc2n1CCCCC2	759031627	AFZBKYKNINRPGF-WUXMJOGZSA-N	411.225	4.850	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c1	760141314	QTOOMHQJGURKJK-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
CCc1nnc(S)n1CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762965196	DYXXMHVGPOVBRQ-UHFFFAOYSA-N	417.429	4.608	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@H]1CCCc2c[nH]nc21	765872379	PVLUMLRSBVCBCT-SMDDNHRTSA-N	404.845	4.828	50	20	HJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc(C#N)cc2)cs1	765980915	FHVRICARQPEMLF-CHHVJCJISA-N	403.379	4.562	50	20	HJGD	
CC(C)n1ncc2ccc(NC(=O)NNc3ccc(Br)c(F)c3)cc21	771132542	DMBBYYOVZQDOPN-UHFFFAOYSA-N	406.259	4.667	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)CC(=O)c2ccco2)c(C)n1C1CCCCC1	771563819	KGWGOVCOTQTPGR-IEOAWGNMSA-N	407.514	4.888	50	20	HJGD	
N#C/C(=C\c1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)c1cc(F)cc(F)c1	773169383	ARPNKMVNJLSWCM-IZZDOVSWSA-N	405.191	4.642	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	773471965	NNFFPODZTXJZCY-AQTBWJFISA-N	410.433	4.690	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cc3ccccc3o2)c1C	785615464	KYBBYQSOFDNDKZ-VKAFWAACSA-N	405.498	4.843	50	20	HJGD	
O=C(NCc1ccnc(Oc2ccccc2F)c1)NNc1ccccc1C(F)(F)F	787389810	CSZIBEFJRWHRMO-UHFFFAOYSA-N	420.366	4.858	50	20	HJGD	
N#Cc1ccc(NNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1Cl	787513660	JBDSPPSOPPCDCV-UHFFFAOYSA-N	417.321	4.598	50	20	HJGD	
CC(C)N(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1	790102093	XTXHZNZZOVSQLN-XNTDXEJSSA-N	402.470	4.787	50	20	HJGD	
COc1cc(NNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)ccc1Cl	790187130	NHDLNYIWDXZSHQ-UHFFFAOYSA-N	407.857	4.556	50	20	HJGD	
CC(C)(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	791007365	NDCJHQGDZHWVRJ-CYBMUJFWSA-N	416.412	4.556	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc2nc(-c3ccccc3)oc2c1	793710118	JHDHJACCJUJQEK-UHFFFAOYSA-N	408.801	4.813	50	20	HJGD	
O=C1Cc2cc(OS(=O)(=O)c3ccc(S(F)(F)(F)(F)F)cc3)ccc2N1	795428903	MNXPVEZZWDMDPX-UHFFFAOYSA-N	415.361	4.606	50	20	HJGD	
N#Cc1ccc(CSc2ccccc2C(=O)NNc2nccnc2C2CCC2)cc1	805464714	LXCHPZTVXIMYPM-UHFFFAOYSA-N	415.522	4.665	50	20	HJGD	
CCC[C@]1(CO)CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	808813124	BYOXRDOVNKNLDI-ZBFHGGJFSA-N	410.889	4.922	50	20	HJGD	
CC(C)c1scnc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	810374938	LVXGBTJWXKLCPI-UHFFFAOYSA-N	408.243	4.805	50	20	HJGD	
C[C@H](C(=O)NNc1ccccc1OC(F)(F)F)c1cccc(Br)c1	812551732	IDSPWOOEWVJJAG-JTQLQIEISA-N	403.198	4.595	50	20	HJGD	
O=C(CCOc1ccc2ccccc2c1)NNc1ccc(OCC(F)(F)F)cc1	813495158	PCJIATNDSQVGKM-UHFFFAOYSA-N	404.388	4.693	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c(C(F)(F)F)c1	816703052	MRFBGMWWRTZCEH-UHFFFAOYSA-N	418.371	4.934	50	20	HJGD	
C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)C(C#N)=C1Nc2ccccc2N1	825700262	YJWZAWPMXLLFIO-LBPRGKRZSA-N	406.442	4.803	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCOCC3)cc2C)c1C	914740564	DADVHYDAPOUHQA-JWGURIENSA-N	420.557	4.596	50	20	HJGD	
O=C(Nc1cccc(C(=O)NN(Cc2ccccc2)c2ccccc2)c1)c1cccnc1	914836706	LIDMONZNZXGYDS-UHFFFAOYSA-N	422.488	4.686	50	20	HJGD	
O=C(NN=Cc1cc2ccccc2nc1Cl)c1ccc(COc2ccccc2)o1	916359909	QQWXJJUVLRARLA-UHFFFAOYSA-N	405.841	4.824	50	20	HJGD	
C=CCN(Cc1ccccc1F)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	918171232	VIJPGOZIEAHZFS-QLTNSANVSA-N	409.505	4.573	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(OCC2CCCCC2)cc1	920210790	OSVJZMGGJVESSA-UHFFFAOYSA-N	417.962	4.931	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2nnc(C(F)F)s2)c1C	920228870	BMVWBFAUMVKSNS-OQLLNIDSSA-N	413.453	4.737	50	20	HJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccc(Br)cc3)cs2)cc1	1317927871	XQSKCERKNCDBPR-UHFFFAOYSA-N	400.301	4.645	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)CCc1nc2ccccc2s1	1320074633	KOBQCXKHGJEUQS-UHFFFAOYSA-N	404.333	4.697	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2nc(-c3ccccc3)cs2)c1C	97529521	XAPVJQLIFNVCLV-YBEGLDIGSA-N	405.479	4.722	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C	105284479	YWJMKTGQYPSESB-AYCSXLNKSA-N	416.319	4.621	50	20	HJGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	252617583	KWGXAMSJDXGHAL-UHFFFAOYSA-N	405.461	4.850	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1cccc(OCc2ccc(Cl)cc2)c1	733810655	TTZUXGKYPXWXNO-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1	733876099	QKAPUGJLLASRGJ-UHFFFAOYSA-N	401.869	4.709	50	20	HJGD	
CCOc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3OC)cc2)cc1OC	741454193	CKVGXNRGHQFNQM-UHFFFAOYSA-N	404.466	4.533	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Oc1ccccc1Cl)c1ccccc1	742466440	ZDEWHGLNUIOACQ-UHFFFAOYSA-N	401.249	4.861	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1	744569490	CWWXNKZCGBVXIL-HUCUOGIVSA-N	403.438	4.655	50	20	HJGD	
COc1ccc(NNC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)cc1	746882463	DJIVMRMCFDMVQD-HXUWFJFHSA-N	400.450	4.950	50	20	HJGD	
COc1cc(C=NNC(=O)c2cccc3cccnc23)ccc1OCc1cccs1	747355942	HYXQHJMLBUEXJQ-UHFFFAOYSA-N	417.490	4.648	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(Cl)cc(Br)c1	747590398	IAQJDAJTKLWVOQ-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1csc(-c2ccccc2Cl)n1	748733181	WIMJERBSHZWZGI-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1C	750959212	ZREUSNFJOWWNRZ-GDXCHIGESA-N	418.497	4.877	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(Br)cc(C(F)(F)F)c1	756015092	XRNNHWBKCUCNMJ-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccccn1	760861703	GLPKEBPKUJJRJB-IBGZPJMESA-N	417.296	4.813	50	20	HJGD	
COC(=O)c1sccc1S(=O)(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762456941	NDGWNTSGYLFALI-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
CCOc1cc(C(=O)NNc2ccc(Br)cc2Cl)cc(Cl)c1O	762619051	IJVRHDNREGUUHN-UHFFFAOYSA-N	420.090	4.617	50	20	HJGD	
Cc1cc(-c2cc(C(=O)OC[C@H](C)CBr)c3c(C)noc3n2)c(C)o1	770336503	LZPOOOZILGMXOE-SECBINFHSA-N	407.264	4.596	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3cnccc3C)c2C)cc1	771385757	YZWBMBUZUYBVBO-PKIWBCANSA-N	414.509	4.591	50	20	HJGD	
C=CCC[C@@H](NC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C)c1ccccc1	771955335	SIXLGQYKXKBXFO-LJQANCHMSA-N	420.538	4.770	50	20	HJGD	
C[C@@H]1C[C@H](NC(=O)CCCC[C@@H]2CCSS2)CCN1C(=O)OC(C)(C)C	773781415	CRDJNMIOKKBACC-BZUAXINKSA-N	402.626	4.605	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1cccc(C(=O)NNc2cccc(Cl)c2)c1	775522223	ROTQYXRYTUAFTL-UHFFFAOYSA-N	415.280	4.507	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)CSCc1coc(-c2ccccc2)n1	777481387	CPJMLFJBNXPBFW-UHFFFAOYSA-N	404.495	4.575	50	20	HJGD	
O=C(Cc1csc(-c2cccc(F)c2)n1)NNc1ccccc1OC(F)(F)F	779210156	ZWBQMKGOXZUDCD-UHFFFAOYSA-N	411.380	4.534	50	20	HJGD	
CN(C)[C@H](CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccco1	782978711	COQRKXWWEKGROU-CYBMUJFWSA-N	420.425	4.518	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c1	783366423	HEEAPZHJMUDSBY-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2cn(C)nc2C2CCCCC2)c(C)n1-c1ccccc1	783787058	AMCHMVSYVLMVMA-UHFFFAOYSA-N	403.530	4.639	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1cccc(OCc2ccccn2)c1	785356537	XIKMBMFUYBVTTN-VJOZSWGJSA-N	401.441	4.584	50	20	HJGD	
O=C(NNc1nc2ccccn2n1)c1ccccc1Oc1ccc(Cl)cc1Cl	791243913	XXHOFICAEZZLTA-UHFFFAOYSA-N	414.252	4.585	50	20	HJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	792781547	WQTLFYYXGVISDF-UHFFFAOYSA-N	420.347	4.588	50	20	HJGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNC(=S)Nc1ccccc1C(C)C	793986934	DELPJBZAWAVMMA-UHFFFAOYSA-N	408.527	4.713	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(=O)c2ccc(F)cc2o1	794741181	VRBDYJXPADVYMY-UHFFFAOYSA-N	401.608	4.649	50	20	HJGD	
N#C/C(=C\c1ccc2c(c1)NC(=O)CO2)c1nc2cc(C(F)(F)F)ccc2s1	794936469	FFJNVKFDHVVOCY-VZUCSPMQSA-N	401.369	4.710	50	20	HJGD	
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	797842273	XEKOFLHPYBGYNQ-FZMZJTMJSA-N	407.426	4.604	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1c[nH]cc1-c1ccccc1	804209758	ATDRAVZZWXJBIM-UHFFFAOYSA-N	423.398	4.914	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cccc(Cl)c1OCC(F)F	806823946	FNIOFXNMCXPMEE-UHFFFAOYSA-N	410.730	4.546	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3ccc(C(F)(F)F)[nH]3)cc12	807944482	CMQFHQKDBHXWJW-UHFFFAOYSA-N	417.416	4.506	50	20	HJGD	
CCC[C@@H](NCc1ccc(OCCCCl)cc1)C(=O)N1CCc2sccc2C1	811477637	ATFAKXGESVIBOF-HXUWFJFHSA-N	421.006	4.599	50	20	HJGD	
CC(=O)c1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C	817015592	JDYDDEISGBFYIX-UHFFFAOYSA-N	404.310	4.992	50	20	HJGD	
CCCCN(C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C)[C@@H](C)c1ccc(C)o1	914517857	BEWJTBGLLKKJPR-QCBCRBAMSA-N	411.546	4.950	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cn(CCC#N)c3ccccc23)c1	915905246	BOERPLVNHHSCTB-UHFFFAOYSA-N	402.498	4.516	50	20	HJGD	
O=C(CNc1ccccc1)NN=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	915917857	MNOHXFWJVOZRIU-UHFFFAOYSA-N	424.844	4.603	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(Br)cc2)c1)c1nc(-c2ccccc2)no1	917143273	XEIZNOIQUCHFTE-MHWRWJLKSA-N	418.254	4.749	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1OCC	917214682	QWPPMUVHCIISLJ-UHFFFAOYSA-N	407.854	4.583	50	20	HJGD	
O=S(=O)(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CCCl)cc1	917746729	JZTWZFJKQDQZPY-UHFFFAOYSA-N	406.866	4.595	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(-c3ccccc3)o2)c1C	917787283	ANMLRNWCTCOOHP-ZFJBLLOBSA-N	417.509	4.796	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccccc2Cl)ccc1OCc1ccc(F)cc1	1084560091	UAJCARTTXVXOGB-UHFFFAOYSA-N	412.848	4.831	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C(=O)OC)c2ccccc2Cl)c1C	1317755776	DCGXLVMYSWEVFT-PGNDWZGLSA-N	414.889	4.533	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1	1786042635	NTPPNWPQHLNJKA-NRFANRHFSA-N	423.944	4.642	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccnc(Cl)c3)cc2)CCC1	1787380684	VBLVGXWAWBTSSV-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1	1790493192	DFZCPUGHEKVAAQ-YWZLYKJASA-N	409.357	4.713	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1	1822973754	NJTHUTBXMHLSKG-HZUJVAHNSA-N	406.958	4.556	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1	1828257330	GGULONJHQRZHIQ-VQTJNVASSA-N	416.949	4.684	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)c1C	7459901	GIRSCBHPZKVEPD-IOVUBPJKSA-N	407.514	4.609	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cs1	303432192	DZRWNIQHCXEEHS-QGOAFFKASA-N	422.554	4.834	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)cc(C#N)n1C	725732489	IXEURKSSCPOSGW-RSZPVBOMSA-N	410.477	4.782	50	20	HJGD	
CC(C)C[C@@H](NC(=O)NNc1cncc(Cl)n1)c1cccc(C(F)(F)F)c1	726851645	TXQNQRUXZRUJMH-CYBMUJFWSA-N	401.820	4.562	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1C	728875686	GAAWYOAZHHZPGF-QUYTYNJFSA-N	411.933	4.675	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1O	730151831	ZOVQCQBHHPVKJC-ONNFQVAWSA-N	405.248	4.976	50	20	HJGD	
O=C(CCc1ccccc1F)NNc1ccc(Br)cc1C(F)(F)F	731477878	QFBNJLXIRKPHLS-UHFFFAOYSA-N	405.189	4.683	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c1C	732159429	JLAIKMJROKBCOT-FYJGNVAPSA-N	422.492	4.733	50	20	HJGD	
CCn1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cn1	732529312	VPILLNFIKRPYJC-YVLHZVERSA-N	405.527	4.870	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3cc(C(C)C)no3)c2C)cc1	733945873	BIHMRCUPAYAUTL-JAIQZWGSSA-N	402.498	4.737	50	20	HJGD	
Cc1ccccc1Nc1nc2sc(C(=O)NNc3ccc(Cl)nn3)cc2s1	735687189	XYHCXPFRICNQFU-UHFFFAOYSA-N	416.919	4.610	50	20	HJGD	
CCCn1ccc2ccc(NC(=O)/C(C#N)=C\c3cc(C)n(CCOC)c3C)cc21	743542862	XYIGSEYKIPTWBW-STZFKDTASA-N	404.514	4.662	50	20	HJGD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)CCCC[C@H]3CCSS3)ccc2NC1=O	744752021	OAEMOIFBRSXXCV-QRTARXTBSA-N	408.589	4.687	50	20	HJGD	
COc1sc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1Br	746519736	FKHBOMLDUQQAOF-WTKPLQERSA-N	405.248	4.929	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1	746652353	ZDDAXLWRLHHZPA-QGOAFFKASA-N	417.440	4.744	50	20	HJGD	
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NNc1cccc2c1CCCC2	748589269	WYNGIGPBSSNOMB-UHFFFAOYSA-N	414.918	4.504	50	20	HJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccc(OC(F)F)cc1	748637597	UDVKTTVEKMJZQI-UHFFFAOYSA-N	402.319	4.629	50	20	HJGD	
COc1cc(C(C)=O)ccc1S[C@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	749849401	QFOZHPZQQAZPQW-QQJFDMGQSA-N	410.520	4.900	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2noc(-c3ccccc3)n2)c1C	750631500	KOBUPTMXWCHEBD-DEDYPNTBSA-N	404.470	4.605	50	20	HJGD	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NNC(=O)c1ccc(Cl)nc1	756344926	UVNWIAYHBMLAMQ-HNNXBMFYSA-N	424.888	4.650	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	758803929	KPXJXKVYHSVVDW-YESZJQIVSA-N	416.653	4.852	50	20	HJGD	
COc1ccccc1SCC(=O)NN=Cc1ccc(-c2cccs2)cc1F	761269407	CANMCQJSSAXOGS-UHFFFAOYSA-N	400.500	4.805	50	20	HJGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1cccc(NC(=O)c2ccccc2)c1	767032384	LKGOIZFOHWQZLV-KBXCAEBGSA-N	417.347	4.926	50	20	HJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNC(=S)Nc1cccc(Cl)c1	769096596	CYYQGAIFLXUQPB-UHFFFAOYSA-N	406.898	4.510	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1	771689608	VOCBIOPHFNYERH-UHFFFAOYSA-N	412.465	4.798	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2sc(C3CCCCC3)nc2C)cc1	775602932	DZKCLCGQVSMEDJ-UHFFFAOYSA-N	418.588	4.529	50	20	HJGD	
C[C@@]1(C(=O)O)CCCC[C@H]1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776637911	ICEBMKDLAUMXAK-TZMCWYRMSA-N	423.425	4.656	50	20	HJGD	
Cc1cc(C(=O)NNc2nc3ccccc3cc2C)ccc1NC(=O)OC(C)(C)C	777476899	UFIOFRMXHHWBEX-UHFFFAOYSA-N	406.486	4.956	50	20	HJGD	
CC(C)n1ccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1	777950013	QPULEZDVKYNTRX-UHFFFAOYSA-N	405.414	4.600	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cccc(Oc2ccc(Cl)cc2)c1	778394162	SCDSHYGFXRIBOQ-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
Cc1cc2cc[nH]c2cc1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	781547049	POSZKCIBLIUMEP-IOAQBMTJSA-N	402.498	4.619	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	781548146	UIJGOAZREQZUTO-ZROIWOOFSA-N	404.438	4.913	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1	789357616	MVVGCLCCWFHNMH-UHFFFAOYSA-N	409.664	4.647	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1NC(=O)NC(C)(C)C	791726755	MWWQTQGFAOVVRN-UHFFFAOYSA-N	409.317	4.979	50	20	HJGD	
CC(=O)N(Cc1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1)C1CC1	792315218	FERLTFOUIGZYEL-UHFFFAOYSA-N	407.301	4.653	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1-n1cncn1)C(=O)c1cccc(C(F)(F)F)c1	794945222	YIJWAESONBNZQN-MKMNVTDBSA-N	402.763	4.729	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNC(=O)c1cccc2ccccc12	795130718	TYTDAXCNOUKVLA-UHFFFAOYSA-N	405.841	4.531	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2c(F)cccc2F)c1C	797026015	RUKWYRAPWRASOY-UXKHZEQISA-N	402.441	4.802	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNc3nccnc3C3CCC3)cc2)cc1	806232456	DCDIPDHFSVHVSP-UHFFFAOYSA-N	400.442	4.557	50	20	HJGD	
C[C@@H]1C[C@H](C=NNC(=O)c2c(Cl)cccc2Cl)CCN1C(=O)OC(C)(C)C	807968621	ARNOLWKNMVUPQW-CHWSQXEVSA-N	414.333	4.745	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc(OC)c1OCC(F)F	809145877	IMZPKCWBVVFEKX-CAOOACKPSA-N	401.409	4.754	50	20	HJGD	
CC(CCCCNC(=O)OC(C)(C)C)=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	811635054	KJWSGOUSGPPSNT-CQSZACIVSA-N	407.580	4.674	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cccc(Cl)n3)c3ccccc3n2)cc1	817006771	YLRVJQVMZYSDKK-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
CC(=O)NCc1ccc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cc1	878642781	ZPHCPYUOZVIRLT-KRWDZBQOSA-N	416.852	4.794	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc(Cl)ccc1Br	913484693	WPSYKCZKWWLRNH-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(C#N)cc2)c(C)n1-c1ccc(F)cc1	914497579	IYSPZRPZCJDMLL-XKZIYDEJSA-N	412.468	4.671	50	20	HJGD	
O=C(NCCC1=CCCCC1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	915878242	SJDDSOLKFGDVOJ-UHFFFAOYSA-N	414.509	4.736	50	20	HJGD	
CCN(CC)c1ncc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)s1	916283680	NBLSBDHCRPFUBZ-UHFFFAOYSA-N	419.510	4.561	50	20	HJGD	
O=C(NNc1ccc(F)cc1)[C@H](Oc1ccccc1Br)c1ccccc1	918014330	TWJNGDQYFHKBQU-LJQANCHMSA-N	415.262	4.852	50	20	HJGD	
Cc1csc(C(=O)NC2(c3ccc(NC(=O)CCBr)cc3)CCC2)c1	1787670443	VPAYHPFPRRHPAT-UHFFFAOYSA-N	421.360	4.589	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1	1815322436	NBTYEJGMJRSCKJ-OYNZLANYSA-N	420.985	4.636	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)[nH]n1	1820859639	FHUVGIZWYCLLJP-DOTOQJQBSA-N	423.344	4.695	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)CC(F)(F)F)C1	1842805434	UEXZHNGVBOZDGO-UHFFFAOYSA-N	424.935	4.892	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)C2(F)CCC2)C1	1846752999	AXVVLXKVTQHYBJ-UHFFFAOYSA-N	414.993	4.832	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(F)F	33422054	QOXHRJKGIVTTRP-GHXNOFRVSA-N	412.314	4.861	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1cccc2cccnc12)[C@H](C)c1cc2ccccc2o1	148508977	ADKNVZITEWIMET-MRXNPFEDSA-N	416.481	4.809	50	20	HJGD	
CCOc1ccc(-c2nc(C(=O)NNc3cccc(Br)c3)cs2)cc1	195544775	LDGANFWPIAOYEC-UHFFFAOYSA-N	418.316	4.728	50	20	HJGD	
COc1cccc([C@@H](CNC(=O)CCCC[C@H]2CCSS2)N2CCCC2)c1	302711235	SMTDMOBKWNHGQK-VQTJNVASSA-N	408.633	4.662	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)c1	726631320	YQDUXLDAFAFFMW-UHFFFAOYSA-N	417.506	4.942	50	20	HJGD	
COc1cc(C=NNC(=O)CCCc2ccccc2)ccc1OCc1cccs1	727689566	UVDMDNXRZNPSHP-UHFFFAOYSA-N	408.523	4.809	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)c1ccc(F)c(F)c1	728715947	AXXIZLVLTDCWQY-UHFFFAOYSA-N	420.337	4.972	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3ccc(F)c(F)c3F)cs2)cc1	728716170	XUBOMCNBGJHGJQ-UHFFFAOYSA-N	407.417	4.773	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1	731930513	ABEGHYSMYUQPBF-QHCPKHFHSA-N	409.493	4.578	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1C(F)(F)F	741518261	UKPHWQRFGBULFV-JHMRYYBSSA-N	408.464	4.563	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1nc2ccccc2n1C(F)F	741772489	XZPAYRNSVWGGPN-UHFFFAOYSA-N	409.343	4.579	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2	743426060	GQQBXHKXIHSJNK-SXYIGIQMSA-N	416.949	4.564	50	20	HJGD	
O=C(NC[C@@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1)c1ccccc1	746638036	LLCOCRTULJVXSS-RBUKOAKNSA-N	406.617	4.512	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1cccc(F)c1)c(C)n2Cc1ccccc1	748101106	KRBUUWDUIRYWSJ-UHFFFAOYSA-N	403.457	4.903	50	20	HJGD	
C[C@H](CCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	749875056	SHODHTBLSDXDMP-AKWGVZKHSA-N	423.520	4.681	50	20	HJGD	
Cc1ccccc1[C@@H](NC(=O)NNC(=O)c1ccc(Br)s1)C(C)(C)C	751102156	GPOSSILOPMTAQM-OAHLLOKOSA-N	424.364	4.550	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1	752390305	WHFQDEXLPYPRDT-BOLOISJXSA-N	404.466	4.679	50	20	HJGD	
Cc1nc2cc(O)nn2c(C)c1CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762518485	SJGLPMKXAABJDM-UHFFFAOYSA-N	422.379	4.890	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccccc1NCc1ccco1	765005008	SHURVIMMKIVHMC-UHFFFAOYSA-N	404.239	4.550	50	20	HJGD	
O=C(NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Nc1cc(F)cc(F)c1	765290246	OZGWQMCPRWQNLR-UHFFFAOYSA-N	409.607	4.783	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccc(COc2ccc(Cl)cc2)cc1	766673562	NMJRMYIVWANSMZ-UHFFFAOYSA-N	410.886	4.681	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2ccccc2OC(F)(F)F)cc1OC	767168510	MDAVAGCOARJPQW-UHFFFAOYSA-N	410.392	4.537	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	768187919	SDUIRZDCYHKFQR-UHFFFAOYSA-N	419.384	4.920	50	20	HJGD	
CCn1nc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c2ccccc21	769744285	WIUNZNMIGVCZSS-ACCUITESSA-N	401.495	4.709	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1nnc(SCc2ccccc2)s1	771094777	KOSPESCYDONPJT-UHFFFAOYSA-N	409.899	4.772	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1cn(Cc2ccccc2)c2ccccc12	771552968	QWJKSRYFIWZHDR-UHFFFAOYSA-N	421.298	4.604	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(COc2ccc(Br)cc2)o1	771707964	VTEDFTWGORJETI-UHFFFAOYSA-N	419.250	4.826	50	20	HJGD	
CN1C(=O)CCc2cc(/C=C(/C#N)C(=O)c3ccc(F)c(C(F)(F)F)c3)ccc21	773915363	LQKCMRXUWDBTLH-DHDCSXOGSA-N	402.347	4.543	50	20	HJGD	
Cc1coc2ccc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)cc12	775447300	OIEGTJAHQRWTQX-BYHQVZLYSA-N	403.482	4.884	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc3ccccc3n2)cnn1-c1ccc(Cl)cc1	777464116	DHKBFAFVMXVOHU-UHFFFAOYSA-N	405.889	4.954	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1coc(-c2ccc(Br)cc2F)n1	778564950	JWDLDDGLQMBEOI-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(OC(F)(F)F)cc1	780634573	HNSUHOXUYCXIHQ-UHFFFAOYSA-N	415.393	4.752	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	781365264	DKALEARRUTWUIQ-UHFFFAOYSA-N	418.837	4.690	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	782813594	MZLNPZBNUDECPR-UHFFFAOYSA-N	416.466	4.794	50	20	HJGD	
Cc1nc(C)c(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)s1	782981444	PAKCFWYRCHSWCI-UHFFFAOYSA-N	408.439	4.896	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@@H](c3cccc(C)c3)C2)c1C	784521175	XGKDWCVPZMIBGQ-NXBQOPCYSA-N	405.542	4.544	50	20	HJGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1Cl	785120554	XQJNWAWHMDLLSF-UHFFFAOYSA-N	423.860	4.846	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(-c2ccccc2)[nH]1	804208504	NYRMDDKMHTXICX-UHFFFAOYSA-N	423.398	4.914	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	805381715	UJMYKBGDNPCCLD-UHFFFAOYSA-N	407.270	4.698	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1ccc(Oc2cccnc2)cc1	808897352	HEIGSBPMTBQQLR-UHFFFAOYSA-N	417.238	4.924	50	20	HJGD	
COCCOCc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)cc1	809156485	CAWPXIHEENWZPM-MHWRWJLKSA-N	417.259	4.584	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cn(C)nc3C(F)F)n2)c1	812241196	FLWLZPVIATUFGX-NTUHNPAUSA-N	413.453	4.644	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1	914767488	IGURXTKILNXSDF-JWGURIENSA-N	416.521	4.731	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1	1786012486	IGNIXUOEUULPKI-UHFFFAOYSA-N	409.917	4.571	50	20	HJGD	
O=C(CCc1ccccc1F)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1791982677	ATDQFBMKPKSVKW-UHFFFAOYSA-N	423.315	4.696	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)C1	1806162684	SGEJSZPBGOUHER-CTNGQTDRSA-N	419.009	4.819	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1	1817827134	SBGQYWYAQUTJPA-OCCSQVGLSA-N	420.922	4.541	50	20	HJGD	
COC(=O)c1coc(COC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1	726634501	KIVMVNSXIZPYSV-ZDLGFXPLSA-N	410.470	4.640	50	20	HJGD	
CCN(Cc1ccc(C(=O)NNC(=S)Nc2ccccc2C(C)C)cc1)C(C)C	727174588	SDDGYLNATNFOMT-UHFFFAOYSA-N	412.603	4.672	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cocn2)c(C)n1-c1cc(Cl)ccc1Cl	730763504	MOVGLAVJNSIBMK-GIDUJCDVSA-N	415.280	4.612	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC3CC3)cc2)c(C)n1C[C@H]1CCCO1	733117026	KJJGUOPQEPCQCU-NIQJEMAJSA-N	419.525	4.618	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1	733889642	HSYDDFTZEKEOJS-UHFFFAOYSA-N	411.868	4.673	50	20	HJGD	
O=C(/C=C\C1CCCCC1)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	735522292	XBNABFGJJWWUGB-TWGQIWQCSA-N	405.873	4.813	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cccc(-c2nc(C)cs2)c1	740176794	FLQTWCZSRATZJN-UHFFFAOYSA-N	410.568	4.621	50	20	HJGD	
CCCc1c(C(=O)NNc2c(F)cccc2F)nnn1-c1ccc(C(C)(C)C)cc1	743455624	PNOHBJVWZQLYKD-UHFFFAOYSA-N	413.472	4.552	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C)c2)c1C)C1CCOCC1	746409348	CGHMFNZGFUSPAJ-FCKOQQNDSA-N	405.542	4.631	50	20	HJGD	
N#C/C(=C\c1coc2ccccc12)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	746523684	WKJMDYVTRSRLBB-NTUHNPAUSA-N	403.419	4.513	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)C1(c2cccc(C(F)(F)F)c2)CC1	748701621	QIOLZEFEKSSKMU-UHFFFAOYSA-N	418.337	4.821	50	20	HJGD	
N#CCc1ccc(Oc2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1	748726755	PTTDLLJQYQECIX-UHFFFAOYSA-N	422.828	4.863	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1ccc(Br)c(C(F)(F)F)c1	748770197	ZKJMKMOWIKTSDA-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2noc(-c3cccs3)n2)c(C)n1CC(C)C	752809032	WDWYSCPCEVZRHO-MFOYZWKCSA-N	410.499	4.523	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCN(C2CCOCC2)CC1	752989103	ZQWPWHKTIBGDBD-UHFFFAOYSA-N	415.428	4.673	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1csc(Cc2ccc(Cl)cc2)n1	754548103	XQUMSMMKTIJRCQ-CXUHLZMHSA-N	410.882	4.743	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2cc(F)cc(OC)c2)cc1OCC	759321773	JKTJEBFCRPQXOW-UHFFFAOYSA-N	410.873	4.822	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1ccc(Sc2ccccn2)o1	766434248	VGLKXGNWJXCEQP-UHFFFAOYSA-N	401.488	4.597	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccccc1OC(F)(F)F	767081845	VIAGNWVZQBKMNX-UHFFFAOYSA-N	414.383	4.781	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[C@@H](Br)C(C)(C)C	767331413	JJROBLNKEREKRK-RHSMWYFYSA-N	409.368	4.758	50	20	HJGD	
C[C@H](Br)c1nc2cc(-c3cccc(Br)c3)sc2c(=O)[nH]1	767361651	WOYIJJWWCCSIGK-ZETCQYMHSA-N	414.122	4.870	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCCC(Cl)(Cl)Cl)c1C	767410096	BEQVORZBJWXCCS-AZZDOICSSA-N	407.725	4.523	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(Br)cc2)c1)C(=O)c1cc(F)cc(F)c1	772176164	MEGYHILEUATQJC-LHHJGKSTSA-N	414.209	4.703	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1	773149979	LHNUCIILNOWEBA-MDWZMJQESA-N	410.792	4.578	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)C(=O)NNc3c(Cl)cccc3Cl)cc2)cs1	773693890	CPWABAKIIOYMJI-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
COc1cc(NC(=O)NNc2cccc(Cl)c2)ccc1NC(=O)OC(C)(C)C	775513418	IQLOYOZIJSYRGW-UHFFFAOYSA-N	406.870	4.844	50	20	HJGD	
CN(C(=O)Cc1ccc(NC(=O)NNc2cccc(Cl)c2)cc1)c1ccccc1	775537296	QILZTZGEVFRCGS-UHFFFAOYSA-N	408.889	4.694	50	20	HJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1	777809441	SUILVIPZQQCRMZ-JLWFYQMASA-N	406.490	4.505	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCOC[C@@H]1c1ccco1	777949722	JBTPFQFXIMUXKH-CYBMUJFWSA-N	419.393	4.699	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(CCC(F)(F)F)cc1	783367065	KVIRCFOJPXHXIF-UHFFFAOYSA-N	420.218	4.570	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2	787335508	SWWNDWFACBAUDW-WNRWPCNTSA-N	410.473	4.530	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)c1	791271685	ACIOECROWNUBGB-UHFFFAOYSA-N	414.937	4.779	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2)c1	791272634	KYCUKVHDUAAYIL-UHFFFAOYSA-N	406.511	4.688	50	20	HJGD	
O=S(=O)(Nc1cc2n(n1)CCCC2)c1ccc(S(F)(F)(F)(F)F)cc1	795376516	ACDYQJNKAARMLZ-UHFFFAOYSA-N	403.398	4.678	50	20	HJGD	
CCCc1cc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n(C)n1	807484485	KVBGVSCBFJLPBA-UHFFFAOYSA-N	412.384	4.607	50	20	HJGD	
N#C/C(=C\c1cn2ccc(Br)cc2n1)c1nc2ccccc2n1C(F)F	811688578	QJNOZNNQBOLOHL-YRNVUSSQSA-N	414.213	4.906	50	20	HJGD	
CCOc1ccc(C(=O)NN=C2CC(c3ccc(Br)cc3)C2)cc1OC	814755164	VPFSDQLAVYYSND-UHFFFAOYSA-N	417.303	4.520	50	20	HJGD	
CCN(Cc1cccc(Cl)c1)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	914501685	LPAZZBKSUCUPQU-WCEBZYJUSA-N	413.949	4.921	50	20	HJGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1	915843118	RPTLUKXQYBALES-ADFUCPMPSA-N	412.467	4.540	50	20	HJGD	
CC[C@H](C)C(=O)NN=Cc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl	915974772	OYFBAAVDLCXAIU-JTQLQIEISA-N	401.725	4.696	50	20	HJGD	
CCCc1ccc([C@@H](NC(=O)NNc2ccc(Cl)nn2)c2cccs2)cc1	916195261	OGGNDAHBHJFWKK-GOSISDBHSA-N	401.923	4.560	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ccccc3)cn2)c1C	918673566	LNZSOCOHWSJBOC-QRAWFLTRSA-N	414.509	4.920	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)cc1	921259607	VSGYIJWNPPWODN-OQLLNIDSSA-N	420.387	4.539	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CCC1)[C@@H](F)Cl	1786030473	WJBYMJJDDQUNBV-IPMKNSEASA-N	418.871	4.598	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccnc(C(F)F)c3)cc2)CCC1	1787018882	YMNAPZPIQJPPAN-INIZCTEOSA-N	421.875	4.784	50	20	HJGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl)C(F)F	1800011693	CUWUQSBEIIMSHF-BJWYYQGGSA-N	406.945	4.639	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1	1820559892	LJHIVSOKNXPYQK-RDJZCZTQSA-N	423.344	4.777	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](Cl)CCC)CC1	1824139088	FHYULKIHUVELLG-LEWJYISDSA-N	409.014	4.782	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cs2)CC1	1824608907	DJIGXVDTYSJAAV-MSOLQXFVSA-N	411.011	4.697	50	20	HJGD	
Cc1cscc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1827801889	QVUONOHGJIUWPT-SFHVURJKSA-N	411.011	4.555	50	20	HJGD	
O=C(NNC(=O)c1ccccc1SCc1cccs1)c1ccc2ccccc2n1	21008407	UXXGLPXZFXUHIC-UHFFFAOYSA-N	419.531	4.663	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccccn2)c(C)c1	47880717	PWZLMUNGPFEXDV-XSFVSMFZSA-N	413.477	4.832	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1	727263373	AJKDRPCEGLBXCH-XNTDXEJSSA-N	408.807	4.633	50	20	HJGD	
COc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)ccc1OC1CCCC1	729514832	NDSWKWSAEMYPHV-UHFFFAOYSA-N	411.889	4.975	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc([S@](C)=O)c2)c1C	732122355	CGKPDCJRVBIGFW-HHHNJPMXSA-N	417.534	4.686	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Oc2ccccc2)cc1	732976495	GUGUYOHMYUTWQU-UHFFFAOYSA-N	406.829	4.939	50	20	HJGD	
O=C(NNc1cnccn1)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	734243907	JCCNRJJSADJODF-KRWDZBQOSA-N	405.310	4.760	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@H](C)C(C)(C)C)cc2)cc1	734388307	ZNWSJIXQBPDOLW-INIZCTEOSA-N	402.560	4.768	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCSC[C@@H]2c2ccccc2)c1C	734396373	GKQABVRQHBUOST-DQHOQNCISA-N	423.582	4.536	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@H](Cc1ccccc1)c1cccs1)c1ccccc1	735188271	DCCNCMIHQHNDCL-VQTJNVASSA-N	407.539	4.556	50	20	HJGD	
CCO[C@@H](C)c1nc(COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cs1	736743714	YJFDNUSNYZTXBT-IFQVXRHPSA-N	415.559	4.965	50	20	HJGD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	737768427	SQRBNSKVEINHKQ-JTQLQIEISA-N	419.230	4.652	50	20	HJGD	
CC1(C)Cc2cccc(/C=C(/C#N)c3nc(O)c4cc(Br)ccc4n3)c2O1	738289802	SEHZQZAJUNUFMT-ZSOIEALJSA-N	422.282	4.876	50	20	HJGD	
C[C@@](O)(CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccsc1	741056570	HLMCYTFHMLIAMZ-UKRRQHHQSA-N	424.897	4.997	50	20	HJGD	
CCOc1cccc(NC(=S)NNC(=O)c2sc3ccccc3c2Cl)c1	742975947	RPYRYKHQJGVRHE-UHFFFAOYSA-N	405.932	4.585	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccc(Oc3cnccn3)cc2)n1	743058417	YUDUPYFBFMYIKO-GDNBJRDFSA-N	405.483	4.569	50	20	HJGD	
CC(C)C[C@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)c1ccc(Cl)cc1	745841006	VQQJQBLDKQSIQH-INIZCTEOSA-N	405.951	4.622	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1Oc1ccncc1	746894996	AIPVAYABLLTVQA-UHFFFAOYSA-N	412.371	4.830	50	20	HJGD	
C[C@@H](c1ccco1)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	747000769	SBDNMAHHLQJJRB-QFYYESIMSA-N	420.840	4.657	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)n1	748332992	AGPFVNSGNUFPFA-SFHVURJKSA-N	420.872	4.693	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1c(-n2cccc2)sc2c1CCSC2	748813221	YAPDSJYXASCARC-UHFFFAOYSA-N	409.458	4.502	50	20	HJGD	
CCCNC(=O)Nc1ccc(CC(=O)NN(c2ccccc2)c2ccccc2)cc1	751314626	FPOHQQNMBOMSEF-UHFFFAOYSA-N	402.498	4.630	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3cc(Cl)ccc3Cl)c3c2CCC3)cc1	752812680	KDJUNLIALUGAGZ-UHFFFAOYSA-N	401.297	4.733	50	20	HJGD	
CC(C)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752985644	VQYPMDVANIPGJQ-CYBMUJFWSA-N	401.401	4.722	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2-c2nncn2C(C)C)c1C	753272381	OAUVGZKVMSYQAV-MOSHPQCFSA-N	416.529	4.900	50	20	HJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2ncccc2C(F)(F)F)cc1	757387269	IYTNZEUNWVRYQO-UHFFFAOYSA-N	412.371	4.830	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	767032370	LEFWWQFEVFRBLI-JTQLQIEISA-N	402.182	4.638	50	20	HJGD	
Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@@H](Br)C(C)(C)C	767333563	VEMKMCQJOBEQBN-SUMWQHHRSA-N	409.368	4.615	50	20	HJGD	
Cc1c(C(=O)NNc2c(F)cccc2Cl)nnn1-c1ccc(-c2ccccc2)cc1	770190505	IYRGEBTYKGACCU-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Cl)cc2Cl)cnn1-c1ccc(OC)cc1	771422645	HGEOWURUFZXYDC-UHFFFAOYSA-N	405.285	4.507	50	20	HJGD	
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCS1	773754437	YXFGXEJGTBLPEF-JTQLQIEISA-N	404.426	4.637	50	20	HJGD	
C[C@@H]1C[C@@H](NC(=O)CCCC[C@H]2CCSS2)CCN1C(=O)OC(C)(C)C	773781464	CRDJNMIOKKBACC-PMPSAXMXSA-N	402.626	4.605	50	20	HJGD	
COc1ccc(-c2ccncc2)cc1C=NNC(=O)CSc1ccc(Cl)cc1	774337218	TVOOKMQKZDIPNC-UHFFFAOYSA-N	411.914	4.653	50	20	HJGD	
C[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC(F)F)cc1	774936904	JKSDPAIXSVBDHJ-GOSISDBHSA-N	415.420	4.953	50	20	HJGD	
COc1ccc([C@@H](NC(=O)NNc2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1	775992460	RZADSGDMONZQGK-CQSZACIVSA-N	423.313	4.524	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl	777482121	ZNULESAGWDVDDV-UHFFFAOYSA-N	410.905	4.938	50	20	HJGD	
Cc1ncsc1CN(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777941575	ZBKSNBFLCQEJAQ-UHFFFAOYSA-N	408.439	4.930	50	20	HJGD	
Cc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2Br)sc2ccc(F)cc12	779145014	PDVGKDPFTDJKGC-UHFFFAOYSA-N	424.251	4.776	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccnc(F)c3)c3cnn(C(C)C)c3n2)c(C)s1	781366707	QLGQSVYDRQJJPM-UHFFFAOYSA-N	424.505	4.649	50	20	HJGD	
CCSCc1cccc(NC(=O)C(=O)NN(Cc2ccccc2)c2ccccc2)c1	782824414	ICOFBPYHVGIPPG-UHFFFAOYSA-N	419.550	4.616	50	20	HJGD	
COC(=O)c1csc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782915513	IIFMKZHLJSCFGI-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
Cc1ncc(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)s1	782987558	NBGVJPKTMRPOPT-UHFFFAOYSA-N	408.439	4.630	50	20	HJGD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NNc1cc(Cl)ccn1	784861349	XXHCNCRKUMQXMH-UHFFFAOYSA-N	418.950	4.550	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(Cl)c(OC)cc2Cl)cc1	787153581	FOFNCYPPXSBZLD-PWDRSIHYSA-N	405.281	4.795	50	20	HJGD	
O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NNc1c(Cl)cc(F)cc1Cl	790562148	YNOISSPQEAGGFG-UHFFFAOYSA-N	410.591	4.519	50	20	HJGD	
O=C(NNc1nc2ccccn2n1)c1ccc(Oc2cccc(Cl)c2Cl)cc1	791243604	UVEBOTCLWNWDOM-UHFFFAOYSA-N	414.252	4.585	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	792636142	PRNFRDDOEZFNBD-YVLHZVERSA-N	423.947	4.560	50	20	HJGD	
COc1ccccc1Nc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cn1	800539393	BLPQHRYVVBZAFW-UHFFFAOYSA-N	402.376	4.610	50	20	HJGD	
O=C(NNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)Nc1ccccc1	801990352	GEZGFXMPBSYFDE-UHFFFAOYSA-N	416.412	4.614	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	806864836	UCKWACGQUZQRDV-CWRNSKLLSA-N	419.451	4.607	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c(Cl)cc1F	808865596	XEEWWKGYFWGYOK-ZTXRYZOMSA-N	415.896	4.931	50	20	HJGD	
Cn1cc(C(=O)NN=Cc2cc(C(F)(F)F)ccc2Br)c2ccccc21	811637169	VFNYDQJXJWAOAE-UHFFFAOYSA-N	424.220	4.724	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)cc1	893803501	JLPVMSCQCWGPQY-LCJWNIEWSA-N	408.498	4.667	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2O)c1C	915198882	STILCCHWSOXURQ-DHDCSXOGSA-N	402.292	4.529	50	20	HJGD	
Cc1nc2scc(C)n2c1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	916283624	KTRLFNKFDWACKE-UHFFFAOYSA-N	415.478	4.585	50	20	HJGD	
CCCC(=O)Nc1ccc(O)c(C(C)=NNC(=O)c2cc3c(s2)CCCCC3)c1	916370060	SIZAXKODXCWOML-UHFFFAOYSA-N	413.543	4.615	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1	918596971	HQBDGWGYNNQFJU-UHFFFAOYSA-N	416.890	4.674	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNC(=O)c2ccc3ccccc3c2)cc1	918624587	WZUPVKILDXPCGL-UHFFFAOYSA-N	415.518	4.584	50	20	HJGD	
Cc1[nH]nc2ncc(NC(=O)/C(C#N)=C/c3cc(C)n(C4CCCCC4)c3C)cc12	920212800	KHKRKBNLBJQDFN-VCHYOVAHSA-N	402.502	4.736	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccc(OCC#N)c3)c2C)c1	1318514859	ULWMJQNPEJQBOL-HZHRSRAPSA-N	424.504	4.528	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)/C(C)=C/c3cccs3)CC2)C1	1806154497	GDZBVQUJILMBAT-POWXATIXSA-N	423.022	4.790	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C(C)C)CCC2)n[nH]1	1823063076	HBKBIEYNUOLSKX-NVXWUHKLSA-N	408.974	4.636	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(C)c2C)CC1	1830305324	NYGQPNQSAWNKCJ-RTBURBONSA-N	411.011	4.616	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)OC2CCCCC2)cc1OC	14178913	QGOIFWLZHHNARE-XNTDXEJSSA-N	420.303	4.805	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NNc1ccccc1C(F)(F)F	45480836	VSVLAKRCBJULIC-UHFFFAOYSA-N	408.811	4.669	50	20	HJGD	
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccc(C)c2)c1	216668025	HMZWROYUMUUPRA-UHFFFAOYSA-N	412.493	4.672	50	20	HJGD	
CCC[C@H](NC(=O)NNC(=O)Cc1ccccc1F)c1ccc(Cl)c(Cl)c1	731403796	WHHRXWVZUNJPEB-KRWDZBQOSA-N	412.292	4.547	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ncc(-c3ccc(Br)cc3)[nH]2)cc1	732713633	IXZLRGQUIPQXJO-XNTDXEJSSA-N	407.271	4.693	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1C	739821145	WVNKWJYZVIKWMM-SRKIZSPNSA-N	424.520	4.791	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC[C@@H](C)c2ccc(OC)cc2)c1C	741615852	UYXKTMGRDDYKDC-TXGMUTBFSA-N	423.557	4.538	50	20	HJGD	
CC1(C)C(=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)[C@@H]2CCCO[C@H]21	743431397	UJNDNKUFZGOEOE-SCLBCKFNSA-N	403.935	4.572	50	20	HJGD	
O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NNc1ccc(Cl)nc1	743818770	LZKRTQYLXBKHGV-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCc2nc3ccccc3s2)c(C)n1CC(C)C	744388024	ICZFPQPCLBOGJK-XDHOZWIPSA-N	406.555	4.637	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c(C)n1-c1ccc(C#N)cc1	746895616	WZMZQQNPYAJUGP-UHFFFAOYSA-N	423.398	4.613	50	20	HJGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)Nc2nc3ccccc3nc2Cl)c1	756783747	LSOSQRZJWKENID-UKTHLTGXSA-N	414.799	4.739	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1Cl	761191684	KHHILIAIVFHPSP-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
COCCOC[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762968029	LZEMQZNCRKOCFP-LBPRGKRZSA-N	404.401	4.861	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12	770015463	YODPELQXTXWEIA-UHFFFAOYSA-N	424.823	4.758	50	20	HJGD	
C[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773072549	HRXDZAXPNRHZNG-NSHDSACASA-N	409.380	4.897	50	20	HJGD	
CSc1cc(/C(C#N)=C/c2ccc(OCCBr)c(Cl)c2)ncn1	773172288	MDHSQSXIPCIRRZ-WUXMJOGZSA-N	410.724	4.690	50	20	HJGD	
CCc1cnc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)s1	773337651	FIULTUDPQWYBBN-UHFFFAOYSA-N	415.409	4.618	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)cc1Br	776259227	FVGAEGQNMYBUTB-MDWZMJQESA-N	408.198	4.849	50	20	HJGD	
COc1ccc(C2(C(=O)NNc3cccc(C(F)(F)F)c3)CCCC2)cc1OC	777422729	UBAVEEMUPYANCC-UHFFFAOYSA-N	408.420	4.678	50	20	HJGD	
C[C@H](CCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)N1CCCCC1	778061766	PTMXGBLIMQQXJM-CYBMUJFWSA-N	422.485	4.887	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NNc1ccc([N+](=O)[O-])cc1Br	779146112	SDSUDYZPHYVDHG-NSHDSACASA-N	420.354	4.515	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)ccc1[C@H](C)O	781004161	XHWDTGXVKMQUHE-IOVUBPJKSA-N	420.557	4.590	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(C3CC3)cs2)c1C	781178672	DPYKJKRNOVCCNG-IKKOKKJKSA-N	413.543	4.858	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	782569185	TXMRBDSARBYMKP-KBPBESRZSA-N	407.527	4.780	50	20	HJGD	
COc1ccc(C=O)c(OS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782984784	VXHPTFKOCABIJJ-UHFFFAOYSA-N	418.361	4.933	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnc3c(C)cc(Br)cn23)c(C)c1	783698251	ZBZRDQQEIVUMCJ-OVCLIPMQSA-N	409.287	4.568	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1cccc(-c2cccs2)c1	784831111	IRACODAEFAUKKD-UHFFFAOYSA-N	405.401	4.516	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(OC(F)F)c3cccnc23)ccc1Cl	788675194	MOIONCCHKZCOID-UHFFFAOYSA-N	408.792	4.647	50	20	HJGD	
COc1ccc(-c2noc(CCCC(=O)NNc3cc(Cl)cc(Cl)c3)n2)cc1	791734690	PGJYBKPVFMIPRO-UHFFFAOYSA-N	421.284	4.518	50	20	HJGD	
Cn1nc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c2ccccc2c1=O	792548803	XVNWRBFSMZOVJC-UHFFFAOYSA-N	405.348	4.843	50	20	HJGD	
C[C@@H]1CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC2(CCOCC2)O1	792881727	NUGYTQLBMOKPDT-LJQANCHMSA-N	405.655	4.978	50	20	HJGD	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)NNc1ccc(C)cc1	794923435	KYJXVKVMSYFSGS-UHFFFAOYSA-N	400.276	4.732	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(Oc2ccccc2Cl)cc1	803433733	QHBFYERATZVHAF-UHFFFAOYSA-N	405.841	4.731	50	20	HJGD	
Cc1cccc(C(NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)c2cccc(C)c2)c1	806934278	LLZOOBZSXVAFMM-UHFFFAOYSA-N	412.493	4.561	50	20	HJGD	
Cn1ccc([C@H](NCc2ccc(OCCCCl)cc2)c2ccc(Cl)cc2)n1	811490288	OLIFVFIYMXPSGA-OAQYLSRUSA-N	404.341	4.960	50	20	HJGD	
O=C(NN=C1CC[C@@H]1C1CC1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	814704311	UOTXWAXGNPIDMZ-HXUWFJFHSA-N	409.489	4.906	50	20	HJGD	
CCOc1ccc(NNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1	817882181	CIXSAGNKZWUDOP-UHFFFAOYSA-N	405.376	4.824	50	20	HJGD	
O=C(NNc1ccccc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	916571737	OBJJLOMIJIYBRN-MYJAWHEDSA-N	403.754	4.876	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/C1=Cc2cc(Br)ccc2OC1)c1ccccc1	917400435	VRMOYYUPNIIRLV-XKYMITNMSA-N	409.283	4.552	50	20	HJGD	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CCSc2ccccc21	918184955	UXNVVCLXDMOKSH-LBPRGKRZSA-N	402.829	4.617	50	20	HJGD	
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)CCCC[C@@H]1CCSS1	918696580	AZVVQUIHLOETCT-RTBURBONSA-N	409.617	4.917	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc2OC)o1	918712770	BTFLAJAGRQKSLG-YBEGLDIGSA-N	411.454	4.566	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(C3CC3)no2)c1C	918808144	LUFRAVQWUYVOSU-RONKMWSCSA-N	416.481	4.874	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@H](c1ccc(Cl)cc1)c1ccsc1	920046345	GPCWWKIXLWOXGE-QGZVFWFLSA-N	420.321	4.789	50	20	HJGD	
Cc1noc(C)c1CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	920279853	NVTYLHJKTJTPNM-ZDLGFXPLSA-N	408.889	4.576	50	20	HJGD	
C[C@@H]1CCCN(Cc2csc(NC(=O)NNc3ccccc3C(F)(F)F)n2)C1	920929006	YPIIWBPVTWOIEO-GFCCVEGCSA-N	413.469	4.542	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cccc(NC(=O)c2cccs2)c1	932523069	MQSJOJIYGXMAHD-UHFFFAOYSA-N	416.300	4.520	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNC(=O)c1ccccc1Cl	1344476299	MIHMGIFRFBNDOO-UHFFFAOYSA-N	424.671	4.685	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CCC2)cc1)[C@H](F)Cl	1788580728	PPDLJVSMSWJYEV-OTWHNJEPSA-N	418.871	4.598	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCBr)CCC2)cc1	1789626249	OKWWXUVFWSFLBI-UHFFFAOYSA-N	421.379	4.898	50	20	HJGD	
CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](Cl)CC)CCC3)cc2)c1	1790342724	XBKBGFWTMASJJO-HXUWFJFHSA-N	414.933	4.850	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccc4o3)CCC2)cc1	1790490063	RVANUHZXTNVKRY-INIZCTEOSA-N	411.889	4.593	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cc2ccsc2[nH]1	1790877413	QRVWVMAWJMVAJT-OAHLLOKOSA-N	405.882	4.512	50	20	HJGD	
C[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CC=CCC3)CCC2)cc1	1791436607	UPTWIJXWWDAHRY-YWZLYKJASA-N	419.363	4.650	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1	1820559893	LJHIVSOKNXPYQK-WBVHZDCISA-N	423.344	4.777	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2csc(N(C(C)=O)c3ccccc3)n2)c1	7211439	GRXROLNBDNYXQG-GZTJUZNOSA-N	403.463	4.626	50	20	HJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1)O[C@H](C)C2	23100935	ORCIBKQHXHCLPL-AZZDOICSSA-N	416.449	4.879	50	20	HJGD	
O=C(NNC(=S)Nc1ccccc1Oc1ccccc1)c1cccc2cccnc12	64377402	GBXNSHDCGIEIQQ-UHFFFAOYSA-N	414.490	4.659	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C/C=C\c3ccccc3)cc2)n1	252457530	PDSWTELKLXMJOF-CSNJCODYSA-N	402.523	4.815	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1	726851446	OZJGTNOFBCLUFA-QGZVFWFLSA-N	418.419	4.672	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)c1ccc(Br)s1	730437079	WSXBXXJKCBHUEL-YRNVUSSQSA-N	407.245	4.607	50	20	HJGD	
COc1ccccc1CCC(=O)NNc1ccc(Br)cc1C(F)(F)F	731477959	UEZHSSVUAGHNCV-UHFFFAOYSA-N	417.225	4.552	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)c1C	734352116	OAPFCAPVAGDLDE-DFOZZHOTSA-N	405.542	4.706	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c1C	734354506	FJFLPVCGPWIAPV-BRYOZTLPSA-N	405.542	4.624	50	20	HJGD	
N#C/C(=C/c1cnc2ccc(Br)cn12)c1nc(-c2ccncc2)cs1	736410329	QOGRTUQJVBMDSR-QPEQYQDCSA-N	408.284	4.679	50	20	HJGD	
COc1ccccc1[C@@H]1CCN(C(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)C1	737747783	RIMCCYIZDAAZGI-ZWAQGKOVSA-N	405.542	4.693	50	20	HJGD	
Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)CCCC[C@H]2CCSS2)o1	737882886	QHDSSQMYZCLESQ-ZWKOTPCHSA-N	403.573	4.718	50	20	HJGD	
O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	741896173	DICJAXHLXXRVPX-OAHLLOKOSA-N	404.797	4.995	50	20	HJGD	
Cc1cc(C=NNC(=O)CSc2nc3ccccc3s2)c(OC(F)F)cc1C	743424254	GXFKXAYWXYSKED-UHFFFAOYSA-N	421.494	4.757	50	20	HJGD	
COc1cc(C(C)=NNC(=O)c2cn(C)c3ccccc23)ccc1SC(F)F	746489162	SIGNALKFPGOBAX-UHFFFAOYSA-N	403.454	4.656	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1ccn(-c2cccc(C(F)(F)F)c2)n1	748588755	OBTIIDFEWAZKFV-UHFFFAOYSA-N	400.404	4.527	50	20	HJGD	
Cc1c(NNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-]	748666984	UAJUAAYQEOWYTJ-UHFFFAOYSA-N	414.421	4.982	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3csc(C)n3)c2C)cc1	753907724	XRKXDOADAACTCZ-VCHYOVAHSA-N	407.495	4.518	50	20	HJGD	
Cc1csc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1Br	754173250	BNOACHZFYRVXML-UHFFFAOYSA-N	424.198	4.503	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccc([S@](C)=O)cc1	756738598	MFOPDXUFTNRGHG-IJRMKIOGSA-N	420.749	4.772	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	760873359	MNZQTUVNEKDGTI-UHFFFAOYSA-N	422.444	4.626	50	20	HJGD	
O=C(NN=Cc1cc(Cl)cc2cccnc12)c1ccc(COc2ccccc2)o1	763138142	PVMYMPRSOIGWSQ-UHFFFAOYSA-N	405.841	4.824	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(OCc2cccnc2)c1	766485553	TVRUCTRGJZEZDX-WQRHYEAKSA-N	419.868	4.868	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C	772226705	SCGXNWDBAOPSAG-KOSHJBKYSA-N	421.972	4.958	50	20	HJGD	
CCn1ccc(CN(C)C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	773732854	UNRRGBRNNKORPK-UHFFFAOYSA-N	411.396	4.763	50	20	HJGD	
O=C(NNc1ccccn1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	777470265	IGHUELWIUNGJKW-AYZSHTAMSA-N	421.385	4.647	50	20	HJGD	
O=C(O)Cc1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	777595835	KHIRZEPLEMTDBV-UHFFFAOYSA-N	417.377	4.772	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cncc(Cl)c2Cl)c(C)n1C[C@@H]1CCCO1	778076925	IUWOXODCOWNUBD-UJPCXNRSSA-N	419.312	4.531	50	20	HJGD	
Cc1ccc(C(N)=O)c(OS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782978676	AYJTWLXVAQAPJB-UHFFFAOYSA-N	417.377	4.519	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCC[C@@H]1c1ncc[nH]1	782985506	OFQJUVUJEASYHY-CYBMUJFWSA-N	417.425	4.983	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCN(c3cc(C#N)ccn3)CC2)cc1	792862519	MDWCSRJCRSSIAQ-UHFFFAOYSA-N	422.649	4.797	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccccc1OCc1ccc(F)cc1	798141971	FNSFSPVODAYBSE-UHFFFAOYSA-N	414.868	4.728	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)c1C	801072648	ABGAAJRNDDNEHU-XKZIYDEJSA-N	421.541	4.919	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c1C	809290641	WVBYBQRUGFFSJX-RDBHYMDISA-N	411.571	4.891	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(C(F)(F)F)cc(Cl)n1	810687161	IRHZUFXCKFBFCA-UHFFFAOYSA-N	408.605	4.582	50	20	HJGD	
COc1ccc([C@H](O)C2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)cc1	812626320	OOQMUROIKQLCQT-FPOVZHCZSA-N	409.617	4.681	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F	816486634	LUALNHCADFQVBN-GHXNOFRVSA-N	419.234	4.996	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nc(O)c3cc(Br)ccc3n2)c(C)n1C1CC1	914786915	UFSNBWXZUYBZTO-ZSOIEALJSA-N	409.287	4.915	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=CCCc3ccccc3)cc2)n1	916293981	QUHAXYFBWYHHPC-UHFFFAOYSA-N	404.539	4.734	50	20	HJGD	
CCCCN1C(=O)CC[C@@H](C(=O)NNc2cc(C)cc(C)c2)[C@H]1c1ccc(OC)cc1	917155051	QFSKXXDHERXMOE-ISKFKSNPSA-N	423.557	4.535	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc3nc(O)[nH]c3c2)c(C)n1CCC(C)C	918601267	YNHZWJSGFLVGDA-IWEBCOIVSA-N	419.529	4.517	50	20	HJGD	
C[C@H](CC(=O)NNC(=S)Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1	920211081	ZLNDIOLDLMYWOK-LLVKDONJSA-N	415.868	4.870	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cccc(OCc2cccc(C(=O)O)c2)c1)C1CCCCC1	1322753141	UQQWSRIXPCJOMJ-BKUYFWCQSA-N	418.493	4.662	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(Cn3c(C)nc4ccccc43)o2)c1C	1323945578	HTXKQLBDGRUAPY-XDHOZWIPSA-N	400.486	4.669	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H](c1ccccc1)c1cccc(Cl)c1	1337500763	URLCVRGOZURUST-LJQANCHMSA-N	414.292	4.727	50	20	HJGD	
C[C@@H](Cc1ccccc1)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788587969	RUEFFELGUYJRKD-HNAYVOBHSA-N	402.897	4.534	50	20	HJGD	
CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)[C@H](C)Br)cc3)CCC2)CC1	1791434989	ZAXFTGSIFFFNEA-HOTGVXAUSA-N	419.363	4.650	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1	1830991001	PCIDJKNXWRHYQM-UXHICEINSA-N	416.949	4.684	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1Cl)c1ccc(-c2ccc(F)cc2)s1	10735547	KPFVUTPMMYQIIK-UHFFFAOYSA-N	409.269	4.936	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2csc(-c3cccs3)n2)cc1	15717680	AYJXUHZLBZLJIE-UHFFFAOYSA-N	416.597	4.846	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC	24869837	ICPIBPYGJQCBPJ-NTEUORMPSA-N	410.271	4.963	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](C)Sc3ccccc32)c1C	24872194	XTDOETUPVONPDG-TYSUYXETSA-N	409.555	4.576	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(-c3ccsc3)no2)c1C	25734863	QGWSZLYNPMQCES-VCHYOVAHSA-N	410.499	4.667	50	20	HJGD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	303048477	RBCROYCBWLVSBG-ZDUSSCGKSA-N	406.741	4.517	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)Cc2ccccc2)c1C	303677339	LJQAPYFFPNAKOL-VFOSSOBBSA-N	407.558	4.604	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1C	725906409	KOIFSCUVXFJPCO-UHFFFAOYSA-N	414.918	4.552	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1ccc(-c2ccc(OC)cc2F)cc1F)c1ccccc1	731998791	CFKNMASXCGHTCV-SFHVURJKSA-N	424.447	4.595	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=C(CC1CCCCC1)c1ncccn1	733906600	DRPVEQJCYGBBLJ-UHFFFAOYSA-N	419.554	4.634	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2cc(F)c(F)cc2F)c(C)n1CCC(C)C	734552951	ZJFGGQNUDISEPR-PXNMLYILSA-N	404.436	4.619	50	20	HJGD	
CC(C)(C)c1ccc(N2CCC(NC(=O)NNc3c(F)cccc3F)CC2)cc1	735758458	WUBBJOKLCTWBET-UHFFFAOYSA-N	402.489	4.557	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1ncccc1C(F)(F)F	740087252	MBBZFXXZHNJVRT-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
CCOc1ccc(C(=O)NN=Cc2cc(Cl)ccc2OC2CCCC2)cc1OC	743430312	IVXIMBVOGKPVJI-UHFFFAOYSA-N	416.905	4.833	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCc2ccc3ccccc3n2)c1C	743723142	MCLQYIPSFXPHCU-JWGURIENSA-N	400.526	4.719	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	743815527	BZQINCFONRGTDQ-SFHVURJKSA-N	405.857	4.990	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1c[nH]cc1-c1ccc2c(c1)OCCO2	748018977	TZCJXFXMXQDMKX-UHFFFAOYSA-N	404.253	4.517	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc3c(c2)CC(=O)N3)c1C	748506636	GHOKQYDNOQPSAS-KKJJZKEWSA-N	405.498	4.611	50	20	HJGD	
Nc1c(Cl)cc(NC(=O)NNc2ccc(F)cc2Br)cc1Cl	753089736	ONLJVQHRSRRZMI-UHFFFAOYSA-N	408.058	4.626	50	20	HJGD	
CC[C@@H](C)n1ncc2c(C(=O)NNc3cc(C(F)(F)F)ccc3F)cc(C)nc21	754153303	GXCKPLVQGZFHHQ-LLVKDONJSA-N	409.387	4.626	50	20	HJGD	
CC(C)c1ccc(Sc2ccc(NC(=O)NNC(=O)Cc3cccnc3)cc2)cc1	756296085	WMBAULXJYPZGMC-UHFFFAOYSA-N	420.538	4.752	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)n[nH]1	756466403	QLIRWUDSRYKOLA-UHFFFAOYSA-N	411.465	4.519	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1	768416778	NWZRCYWOCAVFRS-UHFFFAOYSA-N	418.837	4.690	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H](c1cccc(Cl)c1)C1CCCC1	771559794	LDEAKMSWCAPYOL-HXUWFJFHSA-N	410.905	4.697	50	20	HJGD	
Cc1ccc(Sc2ccc(C(=O)NNc3nccnc3C(C)C)cc2[N+](=O)[O-])cc1	772866768	KYJICPYHDVNFCT-UHFFFAOYSA-N	423.498	4.725	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(Br)c2OC)cc1Cl	773909355	RFDLWLDYKZNMGE-WQLSENKSSA-N	421.678	4.665	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)CCCC(F)(F)F)c(C)n1C[C@@H]1CCCO1	774724556	WPGZKZQXQZPKDX-DPNKQQMTSA-N	412.452	4.855	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cn(-c2ccccc2)nc1-c1ccccc1	775252043	ADWUWMCAMSYNKP-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
Cc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)c(Sc2ccccc2)n1	775272263	CHUBZOFPXKATDS-UHFFFAOYSA-N	405.310	5.000	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)c(Br)c1)C(=O)N(CC(F)(F)F)C1CC1	776189856	KRCNPAXZTBIFBE-YHYXMXQVSA-N	407.617	4.563	50	20	HJGD	
COc1cc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)ccc1O	777962015	NYOASBHQVRTZLW-UHFFFAOYSA-N	419.393	4.537	50	20	HJGD	
CC[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777963880	LVQCGSBVDVKDFQ-KBPBESRZSA-N	409.442	4.658	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1	780806037	REUMXGKRYUPIHB-UHFFFAOYSA-N	414.509	4.968	50	20	HJGD	
CCN(CC)C(=O)CCC1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	782733291	PFNQUYFGIHJGKP-GOSISDBHSA-N	400.654	4.588	50	20	HJGD	
CCCN1CCC(N(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782980152	SRRMNUZPZPVWSL-UHFFFAOYSA-N	422.485	4.839	50	20	HJGD	
C[C@H](CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)CN1CCCCC1	782983237	MDMFLLDAOLQICW-CYBMUJFWSA-N	422.485	4.744	50	20	HJGD	
C[C@@H]1CC/C(=C/C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783461532	RUNCHDFTOOHWAP-QLWWJYNRSA-N	405.410	4.895	50	20	HJGD	
N#CCCn1ccc(NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n1	787384692	OVDZZEAYTVJNJU-CYBMUJFWSA-N	403.817	4.660	50	20	HJGD	
COc1cc(NNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)ccc1Cl	790171884	XSTZEDBJAMQTFE-UHFFFAOYSA-N	402.800	4.668	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCc2ccc(-c3ccco3)cc2F)c(Cl)c1	790531923	JUWLVRTVLSGGTG-UHFFFAOYSA-N	416.840	4.583	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(C#N)c(Cl)c2)cnn1-c1ccccc1Cl	790884095	HXRLSWQFOYIZNP-UHFFFAOYSA-N	414.296	4.931	50	20	HJGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNc1cccc(F)c1[N+](=O)[O-]	791069929	UNZXLQXDDKYISO-UHFFFAOYSA-N	407.401	4.507	50	20	HJGD	
Cc1cccnc1NNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	791224975	YTDDZDHOKQPUDN-UHFFFAOYSA-N	417.900	4.582	50	20	HJGD	
CCCOc1ccc(C=NNC(=O)c2cc(-c3ccccc3)on2)c(OCCC)c1	794781742	NGIDQEKTNNNLAE-UHFFFAOYSA-N	407.470	4.683	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Br)cc1Br	799759699	UKGYQCRJORDUJV-UHFFFAOYSA-N	412.125	4.839	50	20	HJGD	
O=C(NNC(=O)[C@H]1SCCc2sccc21)Nc1ccc(-c2ccccc2)cc1	802037959	WGHSBCUYBRHVRN-IBGZPJMESA-N	409.536	4.598	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cc2cc(F)ccc2o1	804208055	WKNUNUNJOLQZGB-UHFFFAOYSA-N	416.334	4.805	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(NC(=O)[C@H](C)CC)c2)c1C	915732599	IGWJCGYDXWJXAC-FEMWLQECSA-N	420.557	4.723	50	20	HJGD	
Cc1ccc(C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c(C)c1	916293762	FRMDFWVVFXLKGH-UHFFFAOYSA-N	404.539	4.766	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(C(=O)NCc2ccccn2)c1	918587459	DSPLILHFEPERJI-LJQANCHMSA-N	415.584	4.664	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3scnc3C3CC3)cc2)CCC1	1787186568	SHFLBVMAILQVBT-MRXNPFEDSA-N	417.962	4.786	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1	1787275696	ADHOYHXIKYFSLZ-SFHVURJKSA-N	411.354	4.732	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3cccc4ccoc34)CC2)C1	1806165035	RQABKSMOMLUTSG-LJQANCHMSA-N	416.949	4.685	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@H](C)c1cc2ccccc2o1	10467150	YRXFJPQMYQPXOT-CYBMUJFWSA-N	420.494	4.570	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc(Br)c1O	43079836	IGGJQASHDVXSMV-QPEQYQDCSA-N	411.255	4.825	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1csc(-c2cccs2)n1	728426190	XBKVGJHJYSETPQ-UHFFFAOYSA-N	410.549	4.688	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)c1ccccc1	731931295	DSXSAJXRUONGLB-HSZRJFAPSA-N	415.493	4.591	50	20	HJGD	
CC(C)(C)c1ccc(OCC(=O)NN=Cc2c(Cl)cccc2OC(F)F)cc1	732924044	MTBDZWACEBXSKH-UHFFFAOYSA-N	410.848	4.768	50	20	HJGD	
CC1(C)Cc2cc(C(=O)NNc3cnnc4ccccc34)sc2-c2ccccc21	733812240	SCNCWULJQUGOTR-UHFFFAOYSA-N	400.507	4.949	50	20	HJGD	
O=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(CCCl)cc1	734975877	PYICFXISLQZMLA-UHFFFAOYSA-N	411.914	4.583	50	20	HJGD	
COC(=O)c1sc2ncc(C(C)=NNC(=O)c3cccc4ccccc34)cc2c1C	741462928	ROPBQNYZGFBXCU-UHFFFAOYSA-N	417.490	4.699	50	20	HJGD	
CC(C)(C)OC(=O)NCc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)o1	742490615	LYRWGQHBERVVFY-UHFFFAOYSA-N	421.497	4.656	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)cc1	742893914	XAMLSAINEOIPFZ-UYRXBGFRSA-N	406.482	4.515	50	20	HJGD	
Cc1cccnc1[C@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)C(C)C	743617006	OKULNDWFIQBMRI-OAQYLSRUSA-N	417.513	4.790	50	20	HJGD	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NNC(=O)c1cccc2ccccc12	743630051	LKRVREQDDLJWRK-UHFFFAOYSA-N	415.415	4.735	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)ccc1SC	746342055	KSKHKUYKTNICCT-LDADJPATSA-N	418.522	4.765	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	748740532	IAMLJEZRICVLJH-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cc(C(F)(F)F)ccc1Br	748769541	JQVCMYQSMVHHME-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(C#N)cc2)c(C)n1C1CCCCC1	749219542	BOQAYPNLZGPRKR-XKZIYDEJSA-N	415.493	4.815	50	20	HJGD	
CCCOc1ccc(Cl)cc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	749373536	RORYTMJBESCHOX-UHFFFAOYSA-N	401.677	4.510	50	20	HJGD	
CCOC(=O)N1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	753925219	FYLPIFBGLAYYIY-UHFFFAOYSA-N	403.373	4.650	50	20	HJGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1ccc(Br)cc1C(F)(F)F	754022668	QWGBURDNNQLSPG-MRVPVSSYSA-N	420.229	4.710	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NNc1cccc(C(F)(F)F)c1	756018362	XXHKJTPTBNZHPT-UHFFFAOYSA-N	409.408	4.738	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cncc3ccccc23)c(-c2ccccc2)n1	759867227	MSTAQJPNBCOKQG-DEDYPNTBSA-N	418.460	4.558	50	20	HJGD	
CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762760270	KYODYPHOQLGGTF-UHFFFAOYSA-N	416.393	4.968	50	20	HJGD	
CN(C(=O)c1ccccc1NC(=O)NNc1ccccc1Cl)C1CCCCC1	769972952	NXCSJLVBXINPFY-UHFFFAOYSA-N	400.910	4.893	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(C(F)(F)F)cc2)cc1OCCC(C)C	773759934	APYSNATZSDHASS-UHFFFAOYSA-N	423.435	4.521	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc4c(c3)CCC(=O)N4C)n2)cc1	773916248	WJKXRQAGAAEAKZ-LDADJPATSA-N	401.491	4.792	50	20	HJGD	
CCn1c(NNC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)nc2ccccc2c1=O	776457022	SEXITXUYVLFIHZ-UHFFFAOYSA-N	416.481	4.557	50	20	HJGD	
Cc1ccc(F)c(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1Br	787462441	XXRQOSZQDQXVPJ-UHFFFAOYSA-N	407.161	4.552	50	20	HJGD	
N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	792587006	LUUKTJIKVVEPPY-OALUTQOASA-N	424.035	4.763	50	20	HJGD	
COc1ccc(NNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)nc1	797755419	GRWDKHRDIOXIKM-UHFFFAOYSA-N	421.284	4.932	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNc3ccc(Br)cc3C)cc2)cs1	799706770	VKVUHIYOKFGUIE-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)NC(=O)CC1CCCCC1	800827974	QUJPSZVVNVTVPX-OAHLLOKOSA-N	401.576	4.798	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)nc(CC)n3C2CC2)cc1	802185510	JWJVFJYIIAJMRM-UYRXBGFRSA-N	414.509	4.556	50	20	HJGD	
Cc1noc([C@H]2CCCCN2C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	807756799	XRDGVDOBFKSMCQ-VOSMRYOYSA-N	421.545	4.962	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1	811557867	IBSPNIZOUZOFPP-BZUAXINKSA-N	411.593	4.689	50	20	HJGD	
Cc1cccc(C(=O)NNc2c(C)cccc2C(C)C)c1I	812764666	BHSXHQXVVKCRNF-UHFFFAOYSA-N	408.283	4.788	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2c3ccccc3CC23CCOCC3)c1C	813286201	VJWNSVBFXSOYNT-FCKOQQNDSA-N	417.553	4.632	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)c(C(=O)OC)c2F)c1C	813306552	ZTNWYZZGZWVTSA-WJDWOHSUSA-N	415.440	4.516	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1occc1Br	817016684	HHSWWYIEFJCNKA-UHFFFAOYSA-N	417.103	4.837	50	20	HJGD	
O=C(NNc1ncncc1F)c1oc2ccccc2c1CSc1ccc(F)cc1	817081008	MWXTZYUEAQFFLW-UHFFFAOYSA-N	412.421	4.550	50	20	HJGD	
CCCOc1c(Br)cc(C(=O)NNc2cc(C)cc(C)c2)cc1OC	857494824	ZWXRTRROZYRGCP-UHFFFAOYSA-N	407.308	4.620	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3)o2)cc1OC	915983705	FYBZAKMVOSIEDU-HMMYKYKNSA-N	416.477	4.538	50	20	HJGD	
C[C@@H](Oc1cccc(Br)c1)C(=O)NN=Cc1ccc(Cl)cc1Cl	916343857	MKPRNJLVUIZKDD-SNVBAGLBSA-N	416.102	4.674	50	20	HJGD	
C[C@@H](CC(=O)NNC(=S)Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1	920211082	ZLNDIOLDLMYWOK-NSHDSACASA-N	415.868	4.870	50	20	HJGD	
COc1cc(OC)cc(C(=O)NN=C(C)CCc2ccc(OCC=C(C)C)cc2)c1	920364141	PWXIYPHWHCAIJY-UHFFFAOYSA-N	410.514	4.787	50	20	HJGD	
CN(N=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C	920381509	UKTOYKBNCXUPES-UHFFFAOYSA-N	421.457	4.648	50	20	HJGD	
CCC(CCc1ccc(Br)cc1)=NNC(=O)c1cc(Cl)ccc1O	921138764	BVMRLQUICOMEKJ-UHFFFAOYSA-N	409.711	4.937	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nccc4occc34)CCC2)cc1	1790486088	QPAAFZARJSOORR-KRWDZBQOSA-N	411.889	4.593	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4n3C)CCC2)cc1	1790486751	IGLNDGNIWIJBLI-IBGZPJMESA-N	423.944	4.943	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cccc2cc[nH]c12	1791604306	MVJJBHATVXSMKA-UHFFFAOYSA-N	416.308	4.719	50	20	HJGD	
O=C(NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2ccccc2n1	24515163	OQJLYFGYXDWHPX-DEOSSOPVSA-N	420.472	4.575	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCCOc2cccc3ccccc23)c1C	46811792	CCDFKJYZQFIMRD-UHFFFAOYSA-N	407.539	4.633	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)oc(=O)n3C)c(C)n1C1CCCCC1	261397621	ZEWHXYJTONZERF-PDGQHHTCSA-N	418.497	4.601	50	20	HJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)c1	726742214	MKUMDCITLAOKMS-VBKFSLOCSA-N	417.856	4.511	50	20	HJGD	
CCOc1c(Cl)cc(C(=O)NNC(=S)Nc2ccccc2C(C)C)cc1OC	727174387	MEDOEGADZXDWLN-UHFFFAOYSA-N	421.950	4.502	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c(C)n1CCC(C)C	727718024	IKVDSXSJFFNSSN-FVIRYLMMSA-N	423.561	4.832	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1	727843977	XWLRHHPOAOIUGS-SECBINFHSA-N	420.218	4.717	50	20	HJGD	
COc1ccc2cc(C=NNC(=O)c3cc(F)ccc3Br)ccc2c1	728436889	YTUPQHBBRKEQQT-UHFFFAOYSA-N	401.235	4.514	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ncccc2OCCCC#N)c(C)n1CCC(C)C	731992380	HRHIEZZWKOOKNG-QNGOZBTKSA-N	419.529	4.774	50	20	HJGD	
CCn1cc(/C=C(/C#N)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cn1	732528891	DCRYQBGPUCFYBF-YVLHZVERSA-N	410.424	4.702	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)c(OCC)c2)c1C	733937830	VWTPJUHRFVOAHE-STZFKDTASA-N	409.530	4.536	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)s1	734011573	NKLUFUYLTMLYBU-SNVBAGLBSA-N	406.722	4.804	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cc3c(ccc4ccccc43)[nH]2)c1C	734260045	SGMFHHWTUOWSAN-UHFFFAOYSA-N	408.465	4.547	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3c(F)cccc3F)c2)cc1	735698478	JUBORFOKBTZORU-UHFFFAOYSA-N	424.447	4.822	50	20	HJGD	
Cc1cc(NNC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)nc(C)n1	736711722	HPAJCFZKESBIEO-UHFFFAOYSA-N	415.469	4.909	50	20	HJGD	
C[C@@H](C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccsc1	738507798	WQLLLHKAAPRXTE-MRVPVSSYSA-N	407.870	4.542	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)c1C	744369395	HCTAQORTGMYUHE-KEZYJQNYSA-N	419.569	4.761	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)O	744855095	XOORCNWPMZIIOH-MFOYZWKCSA-N	406.463	4.655	50	20	HJGD	
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)NNc3ccc(Cl)nc3)c2)c1	745665524	PKBMVVOBIUSPAB-UHFFFAOYSA-N	424.892	4.514	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(C)c2O)c1C	747933782	CSDQECFTLSNEIO-CNGOAVBNSA-N	401.894	4.525	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)cc2F)c1C	748047047	DPRGUHIOHYMGPH-JJLFXSABSA-N	413.493	4.784	50	20	HJGD	
O=C(NNc1ccccc1Br)c1ccc(Cl)cc1Br	748066142	KWIHZSQYCPLSNF-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1OCCC	748717717	GNQWLWKVUGBRKA-UHFFFAOYSA-N	407.854	4.583	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccc(Cl)cc2)c1C	749525629	LJTVKVZLTDGDHR-OJSPLJLUSA-N	413.949	4.622	50	20	HJGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	750933788	MHUWSDCMMQSQCN-UHFFFAOYSA-N	409.355	4.572	50	20	HJGD	
O=C(NNC(=O)c1cccnc1)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1	755434467	QPTGUQAOJAHHOE-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1	763617875	VNXGGAPPUWKJDM-UHFFFAOYSA-N	409.273	4.649	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)CSc2cccc3cccc(Cl)c23)c1	768703033	YECYWICYQQBUMX-UHFFFAOYSA-N	403.294	4.649	50	20	HJGD	
C[S@@](=O)c1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1F	770043628	YPNATRZFERWCKD-XMMPIXPASA-N	410.685	4.672	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)c(F)c1)c1ccccc1C(F)(F)F	771691765	SSBDEUAWCMKXII-VIFPVBQESA-N	405.189	4.854	50	20	HJGD	
CN(C)c1ccc(CN(CCP(=O)(c2ccccc2)c2ccccc2)C2CC2)cc1	771791756	TVDLOCSMWVENQO-UHFFFAOYSA-N	418.521	4.731	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cccc(NC(=O)C2CCCCC2)c1	775264484	DKFSOIWBTSHNJZ-UHFFFAOYSA-N	407.301	4.664	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC(n2ccnc2)CC1	777920308	MVXBUQWCDDNYBN-UHFFFAOYSA-N	417.425	4.566	50	20	HJGD	
CC[C@@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C1CCOCC1	777983970	QPZOCHFXTLIDFH-CQSZACIVSA-N	409.442	4.828	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2	778449461	PXGQNSKKLOAICB-UHFFFAOYSA-N	416.312	4.600	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CC(=O)N(CC(F)(F)F)C1	782118832	YFCUUVYUVSKHPG-QMMMGPOBSA-N	412.302	4.693	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc2c(c1)COC2	784772491	NTZOCJQQSVIBLA-UHFFFAOYSA-N	408.348	4.951	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccc(F)c(F)c1	786053794	OSRTUJZKGLGCLZ-RIYZIHGNSA-N	415.852	4.965	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1	787143800	CJABZAFSXKSQAT-MJSCBBHESA-N	414.259	4.532	50	20	HJGD	
C=C(CBr)CN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl	791476812	ZZVDZZPOIVUYQP-OAHLLOKOSA-N	406.151	4.738	50	20	HJGD	
O=C(NN=C(C[C@H]1CCOC1)c1ccc(F)cc1)c1ccc(COc2ccccc2)o1	792943949	PEDMDGPYSZOSIL-QGZVFWFLSA-N	422.456	4.558	50	20	HJGD	
CN(C[C@@H]1C[C@H](F)CN1C(=O)CCCC[C@H]1CCSS1)C(=O)OC(C)(C)C	793471960	OHFIHMVSMJMRMH-JYJNAYRXSA-N	420.616	4.506	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1	797769507	GLXQGVCZGDHSSV-XATQLNLPSA-N	415.262	4.564	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1cccc([N+](=O)[O-])c1C	797949376	QNCJZVCLBYBCCE-UHFFFAOYSA-N	421.240	4.930	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cc2c(F)cccc2[nH]1	804210478	YXNUNPQPQBOQQR-UHFFFAOYSA-N	415.350	4.540	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1	805811148	MECUCSDKZGKDPH-NRFANRHFSA-N	402.655	4.653	50	20	HJGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	814727482	PWSSCDNBRRSXAA-PBHICJAKSA-N	414.889	4.526	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)C1CCN(c2noc3ccc(Cl)cc23)CC1	815857433	CVYYNTBKTNFVSE-UHFFFAOYSA-N	423.275	4.633	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ncnc(Cl)c1C(C)C	857546574	VXGJYZZWZSPQHN-UHFFFAOYSA-N	406.273	4.627	50	20	HJGD	
COc1ccc(OC)c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1	912722219	NKMOYOIYDUTQOO-PDGQHHTCSA-N	419.456	4.796	50	20	HJGD	
CC(C)Cc1ccc([C@H](NC(=O)NNC(=O)c2ccccc2)c2cccs2)cc1	916195968	ZSTVLOKRRZFPPH-NRFANRHFSA-N	407.539	4.680	50	20	HJGD	
O=C(NN=Cc1sc(Oc2ccccc2)nc1Cl)c1cncn1-c1ccccc1	1317866340	WBKAMOSAUMBVQO-UHFFFAOYSA-N	423.885	4.538	50	20	HJGD	
C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](Cl)CCC)CCC2)cc1	1786364152	CWKVKQISHKIHDB-IBGZPJMESA-N	406.954	4.511	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cccc2ncccc12	1788584550	YQJFKZLDSBROTB-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cc2cc(F)ccc2[nH]1	1789233075	SITXUDQUQSWCMC-SFHVURJKSA-N	417.843	4.589	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(C)cc3)CC2)C1	1806162376	MEHOHOIVXYYYPA-NRFANRHFSA-N	419.009	4.566	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(C)cc2)[nH]n1	1820860461	LLDHSMAHRAEUHL-HHXXYDBFSA-N	416.953	4.531	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)c1C	24001565	MZOGEXGDVIDEFJ-IOVUBPJKSA-N	407.514	4.609	50	20	HJGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	110652582	FCHQAAKOGXSSBK-LUMBYOQCSA-N	407.278	4.623	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(NC(=O)c3ccco3)c2)c1C	303651981	UKQKJXWLOPCEJW-UYRXBGFRSA-N	417.465	4.873	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(Cl)c1Cl	727263495	BCJQKCPRDBJZQY-GXDHUFHOSA-N	420.271	4.515	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](SCc2ccccc2)C(C)C)cc1C	727492912	BGODWEGFTFQNBW-LJQANCHMSA-N	401.601	4.579	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1	727845798	YYIZGNITPRWXAL-QHCPKHFHSA-N	421.928	4.783	50	20	HJGD	
Cc1ccc2c(Cl)c(C(=O)NNC(=S)Nc3ccc(N(C)C)cc3)sc2c1	729690250	VJPYMSCMRABWOI-UHFFFAOYSA-N	418.975	4.561	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(-c2nnc3n2CCCC3)cc1	731349030	GSSSRQMDFMWYGG-QGZVFWFLSA-N	402.589	4.934	50	20	HJGD	
COC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	733175335	ROLNLRWPZWCLTG-BDBXIWDTSA-N	411.933	4.540	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(Cl)ccc2Cl)c1C	741819662	ORGHWBBQWNIMSX-CXUHLZMHSA-N	407.297	4.709	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)o1	746523716	GBZAOMXEECFYNO-UHFFFAOYSA-N	416.437	4.752	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1	747875482	SAWZFCHLFPBKKX-ATTDUZETSA-N	409.829	4.610	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1cccc(F)c1)c1ccc2c(c1)CCCC2	748099286	YLCPBMNCIOUHRU-UHFFFAOYSA-N	409.486	4.775	50	20	HJGD	
Cc1nc(-c2cccs2)sc1C(=O)NNc1ccc(Br)cc1F	748171614	WVFLYZUWZFBVPT-UHFFFAOYSA-N	412.309	4.839	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(n3c(C)ccc3C)CC2)c1C	751410427	IHNJWPUYWYJEEU-BTVXTAIASA-N	422.573	4.501	50	20	HJGD	
CCC1(CNC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CCC1	752737799	MMASKNUUQNMIES-OAHLLOKOSA-N	408.873	4.541	50	20	HJGD	
Cc1coc(-c2cc(NC(=O)NNC(=O)c3ccc4ccccc4c3)ccc2C)n1	757709135	KODLBBBGQBMBFD-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
N#C/C(=C\c1cc2ccccc2s1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	758417997	MEWZMMWBMIBWSZ-FOWTUZBSSA-N	423.925	4.937	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2O)c1C	760424836	COLVLNWCNSQJAK-FVTUNSQFSA-N	422.312	4.870	50	20	HJGD	
O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NNc1ccc(OC(F)(F)F)cc1	761591495	PHEORDPEECKGEQ-UHFFFAOYSA-N	411.767	4.579	50	20	HJGD	
CS[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762663815	FQNTULMRIWBBBJ-WDEREUQCSA-N	404.426	4.683	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCC[C@H](OC(F)F)C1	762681072	WABLLQRIQURCSW-JTQLQIEISA-N	424.338	4.513	50	20	HJGD	
COC1CCN(CCNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762976113	RFUHYFVSVMJXNW-UHFFFAOYSA-N	403.417	4.576	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)c(OCc2cccnc2)c1	766492607	ZRNXVNJIGDARBN-VXLYETTFSA-N	417.421	4.650	50	20	HJGD	
C=C(C)[C@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1	773261541	IYLWCBBGCDWNRV-INIZCTEOSA-N	414.239	4.533	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1	774918177	BVNYCGSPUAGBSE-FLIBITNWSA-N	402.813	4.682	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(-c2ccccn2)nc2ccccc12	775266078	DGAXYEMGURARCJ-UHFFFAOYSA-N	410.264	4.756	50	20	HJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1	775732368	DCSLQFSBOACURW-YFMIZXKXSA-N	405.242	4.665	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(Sc2ccccc2Cl)nn1	777463987	BMRIGCALIWHBIX-UHFFFAOYSA-N	407.886	4.586	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC(CCCO)CC1	778064368	VTPBQFHALYGNHZ-UHFFFAOYSA-N	409.442	4.517	50	20	HJGD	
O=C(NCc1ccc(Oc2ccccc2)nc1)NNc1ccccc1OC(F)(F)F	779552063	LPXSIQBJFNFECX-UHFFFAOYSA-N	418.375	4.599	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1	780375804	ZUZOEMJHTATEJD-MFOYZWKCSA-N	406.367	4.767	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(C3CC3)no2)c(C)n1-c1ccccc1F	781868092	UVDQUDUSHIISEN-JQFNYASXSA-N	420.444	4.705	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNc2ncncc2Cl)cc1Cl	782019671	SWKIORABSWSRCW-OAHLLOKOSA-N	413.268	4.587	50	20	HJGD	
O=C(Cc1ccc(Br)c(Cl)c1)NNc1cccc(Br)c1	787133919	PTPGEPNNAALCAU-UHFFFAOYSA-N	418.516	4.551	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(OC)c(OCCCC#N)c1)c1ccccc1	787144157	GWNGHKVGFNJZPX-LSSXRZCCSA-N	403.482	4.552	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccn2)c(C)n1-c1cccc(Cl)c1	790128189	FTOOBMYJUHBKNN-PUMYGXPMSA-N	404.901	4.927	50	20	HJGD	
Cc1ccc([C@H](NC(=O)NNc2ccccc2OC(F)(F)F)c2ccccn2)cc1	792293346	JJBXLPOEVVBZQT-IBGZPJMESA-N	416.403	4.704	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21	793074210	WXJPHNADGCWILW-JXAWBTAJSA-N	412.470	4.966	50	20	HJGD	
Cc1cc(NNC(=O)c2c(-c3ccccc3C)noc2C)ccc1Br	793712850	WQJAJJFGHUETQV-UHFFFAOYSA-N	400.276	4.786	50	20	HJGD	
CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	808977080	SFEGIDBPQPOPCB-LBPRGKRZSA-N	417.444	4.519	50	20	HJGD	
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCO1	815891436	KTTWLCHNODHBFX-AWEZNQCLSA-N	416.412	4.556	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(OC3CCCC3)c(OC)c2)c(C(F)(F)F)c1	816702710	YUANSBWKNPZASS-UHFFFAOYSA-N	424.419	4.801	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc(C#N)cc3)c3ccccc3n2)cc1	913459068	FAEGTUDSSJMNND-UHFFFAOYSA-N	421.460	4.548	50	20	HJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1C	915855216	CUOYVWZTLCUJKV-UNOMPAQXSA-N	409.917	4.648	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H](c1ccccc1)c1cc2ccccc2o1	916227816	NCVUMGMJBWUYBG-QHCPKHFHSA-N	424.460	4.648	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc(Br)cs1	916348762	GJCRIZBRDDAKPF-UHFFFAOYSA-N	406.330	4.706	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCCc3ccccc32)c(C)n1C[C@@H]1CCCO1	916560039	LMRXZQLABXHKLQ-YVFHEOCESA-N	417.553	4.727	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(Br)cc2)c1)C(=O)c1c[nH]c2ccccc12	917145016	NRQDSKFBHTXZCH-OQLLNIDSSA-N	417.266	4.906	50	20	HJGD	
CCCCn1nc(C(=O)NN=Cc2ccccc2-c2ccccc2)c2ccccc2c1=O	917538563	ROTHTEVFPNSSMA-UHFFFAOYSA-N	424.504	4.628	50	20	HJGD	
Cc1cc(OC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)ccc1[N+](=O)[O-]	918491876	KOADQDRHKKYPQU-UHFFFAOYSA-N	408.385	4.822	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCOc2ccccc2-c2ccccc2)cc1	921030243	LBUJDBMYPAGLKO-PYCFMQQDSA-N	412.489	4.854	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1	1786012730	XJKGEHBWMNPIPT-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C)c2F)[nH]n1	1815314486	PPMCYRSYEVQXHQ-WBVHZDCISA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(C)c2)CC1	1824614138	GQLKZOUDKDGNQN-FCHUYYIVSA-N	419.009	4.565	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)CC1	1832366864	FNYAWQJJNOURFM-WLRLJWMZSA-N	411.030	4.840	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2)cc1	207813917	GXWKDUKQYRKIIH-AQTBWJFISA-N	415.424	4.632	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cccc(OC(F)(F)F)c1	727971212	QJWZGOOJJMNBSY-UHFFFAOYSA-N	405.401	4.781	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(COc2ccc(Cl)cc2)cc1	728081364	UGEAAYXKPLIGJR-UHFFFAOYSA-N	420.856	4.726	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2CN2CCCC2)c(C)n1CC(C)C	728388207	RGIRZKSOEGPCQR-QFEZKATASA-N	418.585	4.580	50	20	HJGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1csc(-c2csc(C)n2)c1	729144343	UKCOEIUUQUJZLA-GFCCVEGCSA-N	403.504	4.627	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3occc3C(=O)O)cc2)c(C)c1	730951177	LDSFCGQWQJKTAT-LDADJPATSA-N	416.433	4.719	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl)c1ccccc1	731932028	WOKDMMTWIVAOEB-LJQANCHMSA-N	412.896	4.676	50	20	HJGD	
CCn1cc(/C=C(/C#N)C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cn1	732529168	PUICTPVWVYKGPW-YVLHZVERSA-N	423.314	4.863	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	733876121	SKGWVGNTXZURAJ-UHFFFAOYSA-N	411.893	4.635	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	734304735	UVIVAAMLTYPNSY-SFQUDFHCSA-N	403.463	4.855	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)c2nccs2)c(C)n1-c1ccc(F)cc1	734805218	JBZUPPWVYKPWJO-ATVHPVEESA-N	408.502	4.648	50	20	HJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccccc1N1CCCC1	738299471	PXWSODAQGQGGCC-UHFFFAOYSA-N	418.521	4.733	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	740783086	LMDPRAXWPNRNTM-UHFFFAOYSA-N	422.821	4.823	50	20	HJGD	
O=C(CCCc1c[nH]c2ccccc12)NNc1c(F)cc(F)cc1Br	741978207	BSYCKYBZUXDNNC-UHFFFAOYSA-N	408.246	4.675	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc2c(s1)CCCCC2	741979918	NURZMBMNSBYHME-UHFFFAOYSA-N	401.276	4.815	50	20	HJGD	
CN(C)c1ccc(N2CCC(NC(=O)CCCC[C@@H]3CCSS3)CC2)cc1	742109046	KZHQASOHLIJRAY-HXUWFJFHSA-N	407.649	4.552	50	20	HJGD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743619961	VYDWREYXLDWMNQ-CTNGQTDRSA-N	424.545	4.531	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3cccc(C#N)c3)c2C)cc1	743777891	ZBXIEWIASVPHLE-PVFDWLMNSA-N	424.504	4.759	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1cc(C)ccc1F)c1ccc(C(F)(F)F)cc1	748359878	AAIWWJSURLFCJX-ZRDIBKRKSA-N	411.424	4.574	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cccc1[N+](=O)[O-]	748666062	HBXPVKSRFMCREL-UHFFFAOYSA-N	424.438	4.720	50	20	HJGD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3ccc(C#N)s3)c2C)cc1	748999896	STDNTUYPPRUNOU-GZTJUZNOSA-N	415.474	4.604	50	20	HJGD	
C[C@@H](CCC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccccc1	750537571	PKTUGMHGCPPDSP-AWEZNQCLSA-N	415.419	4.584	50	20	HJGD	
O=C(Cc1csc2ccc(Cl)cc12)NNC(=O)c1c(Cl)cccc1Cl	751858916	ILTOZCUJUYJHNY-UHFFFAOYSA-N	413.713	4.865	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1	752162254	RANKLQAJFCTLSB-MHWRWJLKSA-N	420.831	4.672	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1cccc(CSC2CCCC2)c1	756707692	NFXMXFNKYKQNIA-UHFFFAOYSA-N	420.538	4.877	50	20	HJGD	
CO[C@]1(C)C[C@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1(C)C	762666949	RUECXOPCEKJZHL-BLLLJJGKSA-N	416.412	4.602	50	20	HJGD	
Cc1ccc(COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1F	766293482	RNRQHCOREKBHPU-DEDYPNTBSA-N	414.440	4.562	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@H](c1cccc(Cl)c1)C1CCCC1	771559486	LDEAKMSWCAPYOL-FQEVSTJZSA-N	410.905	4.697	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H]2COc3cc(Cl)ccc32)c1C	774516012	XKYCGYKJHHXASG-ZWHAIJCBSA-N	414.889	4.550	50	20	HJGD	
Cc1cccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1I	780805880	GPQPMAZCZVBWMK-UHFFFAOYSA-N	408.283	4.654	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1Cl)C(=O)c1c[nH]c2cc(F)ccc12	789127469	KOMUSJUFVNIGMU-OVCLIPMQSA-N	404.832	4.995	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Br)cc2Cl)cnn1C(CC)CC	790804781	XGFYQOQOILVBAS-UHFFFAOYSA-N	413.747	4.979	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ncccc2C(F)(F)F)cnn1-c1ccccc1Cl	792343787	RFHQENWFYZBSOU-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
CC(C)c1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)nc1	810374648	AMGDHZIBTDMGGX-UHFFFAOYSA-N	402.214	4.743	50	20	HJGD	
CCOc1ccc(C(=O)NN=C/C(C)=C/c2ccccc2OC(F)F)cc1OC	811634099	CNRZSJFJLLPAFD-KHQZAJAQSA-N	404.413	4.514	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nnc(C2CC2)s1	813836511	NTTGBXIZOTZFSB-UHFFFAOYSA-N	411.331	4.602	50	20	HJGD	
COc1ccc(NNC(=O)c2cnn(-c3ccccc3)c2C2CC2)c(C(F)(F)F)c1	816703457	FSKNGCMQBQKAIH-UHFFFAOYSA-N	416.403	4.534	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)Nc1ccc(C(=O)O)cc1	817914977	FGPWLYYHQKBKCZ-PTNGSMBKSA-N	419.418	4.567	50	20	HJGD	
Cc1ccc(N2C(=O)C[C@H](C(=O)NNc3cccc(C)c3)[C@H]2c2cccs2)cc1	912634636	OPPATIOZWLYVSX-UGKGYDQZSA-N	405.523	4.602	50	20	HJGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1sc(C(C)(C)C)nc1C	915111209	BNXLSWDKMJBMRD-UHFFFAOYSA-N	412.584	4.955	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1	916613764	VSABZJAYAYXWAP-JJBLJPBOSA-N	417.490	4.596	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1C	918182949	FTFJYJFNLHWPSI-ZDLGFXPLSA-N	424.526	4.630	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(F)c(Cl)c2)c1C	918809241	GLPBGQXYRFBIOM-ZNBBLSJYSA-N	404.869	4.755	50	20	HJGD	
Cc1coc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c1C	1261127799	YOYSCZDWTBMCCV-UHFFFAOYSA-N	412.511	4.610	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1c(F)cccc1Cl	1788586055	AMDOGLFGZQICAX-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)c(C)n1C	1789973527	MKWGTBXDCDUXJY-UHFFFAOYSA-N	415.965	4.655	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3)cc2)CCC1	1790262180	WGWNUJVPPMRNCH-FQEVSTJZSA-N	423.315	4.810	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)CCC1	1791725494	NDYSBAVVUMDASH-PWRODBHTSA-N	410.945	4.942	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1815317848	KFHIBCXUSRUISP-SJLPKXTDSA-N	408.974	4.780	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1	1820860376	LIPUFTILSAPYET-PKOBYXMFSA-N	414.937	4.610	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)ccc2C)n[nH]1	1823143012	RFGLNQBVYNNWQP-HKUYNNGSSA-N	416.953	4.740	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C)CC1	1823894866	ZHXGSUMLTPKGNW-NHCUHLMSSA-N	422.972	4.775	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1	1830309099	FWARQFQIMUMFRY-MOPGFXCFSA-N	411.373	4.591	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)c1C	26886341	OKWQDWGETBOKLO-YODDIOPGSA-N	407.514	4.783	50	20	HJGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1cccc(Br)c1	195576082	FQNNSMIAOCRZTI-UHFFFAOYSA-N	400.276	4.570	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)cc1	207927877	INLIIBCGZJTARW-QNGOZBTKSA-N	411.461	4.770	50	20	HJGD	
O=C(NCc1nccn1C(F)F)Nc1ccccc1S[C@H](Cl)C(F)(F)F	726697648	AZERJVWUQUITKZ-NSHDSACASA-N	414.787	4.819	50	20	HJGD	
O=C(NCC1CC1)NNC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	730215481	HUPWIBOOQFNAOV-KRWDZBQOSA-N	424.353	4.567	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(Cc3ccccc3)ns2)c1C	730513595	KHMAEYZJDJZTTJ-CPNJWEJPSA-N	405.527	4.503	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc1	731017478	UMHCWHBJHTWARM-BVTUPMQUSA-N	417.278	4.771	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1	731232355	PRJRFZGCURMYDU-FCHUYYIVSA-N	419.550	4.748	50	20	HJGD	
CCc1nnc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)o1	732310925	PSZMOVQHCGAOKR-UEXNTNOUSA-N	404.470	4.559	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OCc2ccccc2)cc1	732978410	PJHPKPOOCITHRF-UHFFFAOYSA-N	420.856	4.726	50	20	HJGD	
N#C/C(=C/c1ccccc1OCC(=O)NCC1CC1)c1nc(-c2ccccc2)cs1	734832017	BNHTYWYGCCAPBD-NDENLUEZSA-N	415.518	4.779	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl	739425009	ALBPKJDASJAWLH-WUXMJOGZSA-N	417.657	4.893	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)ccc1C(=O)N(C)C	740808220	GFAKBSATKRIQHC-STZFKDTASA-N	420.557	4.707	50	20	HJGD	
O=C(CCC(=O)c1cccs1)NNc1c(Cl)cc(Br)cc1Cl	742006291	HISPOAXCIIOBHI-UHFFFAOYSA-N	422.131	4.924	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)C1(c2cccc(Cl)c2)CCOCC1	748740714	NHAVODFRFIQRLI-UHFFFAOYSA-N	423.738	4.602	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CCc2cccc3ccccc23)c1C	751148458	UONXPOFDWXQQAO-JJIBRWJFSA-N	415.537	4.513	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(n3c(C)ccc3C)CC2)c1C	751410434	IHNJWPUYWYJEEU-RXULLKCLSA-N	422.573	4.501	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc(Br)cc2cccnc12	759659187	MKVWEHCIZKUVPI-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	767401468	FPZJADDEOUOEES-VIFPVBQESA-N	416.305	4.715	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1ccc(OCc2ccccn2)c(Cl)c1	769987316	YNSFERBUAJCDMX-UHFFFAOYSA-N	422.794	4.880	50	20	HJGD	
CC(C)c1nc2ccc(NC(=O)C(=O)NNc3c(Cl)cccc3Cl)cc2s1	773694194	HNPFZFWYTVGEQW-UHFFFAOYSA-N	423.325	4.808	50	20	HJGD	
CCc1cc(NNC(=O)c2sc(C3CCCCC3)nc2C)nc(-c2ccccn2)n1	775604561	QQQNTUHKVYEFMH-UHFFFAOYSA-N	422.558	4.671	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	777465963	YCVYGOJFTRGTLR-UHFFFAOYSA-N	413.437	4.512	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(NC(=O)c2cccs2)c1	777478285	AEPHCSOGLLDYKX-UHFFFAOYSA-N	402.479	4.614	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	778447385	TUAWCMNYUMTSME-UHFFFAOYSA-N	424.291	4.998	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)NNc3ccccn3)ccc2OC(F)F)cc1	779013785	KEMMBSZRJNCPTO-UHFFFAOYSA-N	400.385	4.507	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1OC(F)F	779524557	UWVLKOURNITCSL-SNVBAGLBSA-N	405.323	4.574	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1ccc([N+](=O)[O-])cc1	782017408	XDZHJJKIUDTMFT-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
N#C/C(=C\c1cc(Cl)cc2c1OCC2)C(=O)Nc1ccccc1Br	782888698	ZAGQOZCUXOQHAW-NTUHNPAUSA-N	403.663	4.583	50	20	HJGD	
CN(Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1)C(=O)OC(C)(C)C	785227223	CUTHIXDQHDSVBL-PDGQHHTCSA-N	409.461	4.738	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc3c(cc2Cl)OCCO3)c1C	790823168	JXILEFIFYVWSKH-YVLHZVERSA-N	413.905	4.875	50	20	HJGD	
CC(C)(CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)CN1CCCC1	790935441	INYLZKICIOLPFM-UHFFFAOYSA-N	422.485	4.744	50	20	HJGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2c(Cl)cc(Br)cc2Cl)C1	793577342	OUHNPFAOEPNARR-ONGXEEELSA-N	410.139	4.794	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(/C#N)C(=O)c1c[nH]c2cc(F)ccc12	794696771	BHUDRXCMIRUSSU-JYRVWZFOSA-N	405.820	4.639	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2csc(-c3ccc(Cl)cc3)n2)cc1	797304337	IMJCURTVBQJGEQ-SFQUDFHCSA-N	423.925	4.738	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(C)cc2C)c1C	801072909	JHMBDPNLMKNAIX-BKUYFWCQSA-N	407.514	4.611	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2	804770995	CBUBMTSNBVTKNV-CCEZHUSRSA-N	414.440	4.996	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1	811056130	YOIDFVFZYWVOQW-LFYBBSHMSA-N	407.209	4.561	50	20	HJGD	
O=C(NCc1coc(-c2ccccc2)n1)NNc1ccc(Br)cc1Cl	812057834	RAJNHRLCDXPMLJ-UHFFFAOYSA-N	421.682	4.584	50	20	HJGD	
Cc1ncc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(C)C)n1	817016363	RCEPSXASEYRRDJ-UHFFFAOYSA-N	406.330	4.703	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C	843130988	WBSCXMQBIFCSCI-CJTQKWKHSA-N	421.328	4.747	50	20	HJGD	
N#Cc1ccc(CSCC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	915801149	LPFKWIBISAPPCO-UHFFFAOYSA-N	400.718	4.895	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC(C)C	915863614	HYZSXQLNTHXKBS-UNOMPAQXSA-N	421.497	4.624	50	20	HJGD	
N#C/C(=C/c1ccc(-c2cccs2)cc1F)C(=O)N1CCn2c1nc1ccccc12	917621378	CRNCEHZABXCAJT-ATVHPVEESA-N	414.465	4.858	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1	1327510514	PMFQMBUESNOIKJ-UHFFFAOYSA-N	400.774	4.663	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3cccs3)CCC2)cc1	1786444005	OKGVAQUKITVEBI-SFHVURJKSA-N	404.963	4.832	50	20	HJGD	
Cc1nc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1	1789916434	PRUDVVDRGAGHNZ-UHFFFAOYSA-N	417.912	4.542	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3)CCC2)cc1	1790493396	IYHKXTSFMXXPBH-HXUWFJFHSA-N	423.315	4.810	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)c(C)c2)n[nH]1	1821113945	JGVWCXRUSMDVKN-QAPCUYQASA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2c1oc1ccccc12	1847869642	SKYHLXTUJLUWTQ-UFYCRDLUSA-N	424.928	4.809	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1OC	23101218	XSUHTPACRRGYNZ-XNTDXEJSSA-N	400.862	4.692	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cc(Br)c(O)c(OC)c2)cc1	212018851	HOWAWDPZIAAUFZ-SXGWCWSVSA-N	400.272	4.906	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cnc(-c3ccccc3)s2)cc1	727263507	BPWMQVJMRRPSOW-SFQUDFHCSA-N	403.463	4.532	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2)CC1	727434572	LVFXOIULMWOUEQ-VBKFSLOCSA-N	419.834	4.615	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)o1	729968341	PHELEYXMZHJVBX-UHFFFAOYSA-N	424.888	4.588	50	20	HJGD	
CCc1nnc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)o1	732317517	OBHPXAYSLWUTBG-LSPINASFSA-N	404.470	4.559	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)N(C)C1CCCCC1	732716515	STJPOXJHQPIVFR-ATVHPVEESA-N	414.912	4.730	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1cccc(-n2cccn2)n1	736462669	YDGJSRMBDTXFJH-INIZCTEOSA-N	412.824	4.739	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)Nc1ccc(F)cc1	740764148	MMGBXZCDEMTXDZ-BOPFTXTBSA-N	408.864	4.886	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=Cc2cccc(C(F)(F)F)c2)cc1Cl	741769846	QTQJYBGCGVVLLY-UHFFFAOYSA-N	401.772	4.532	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1sccc1-c1ccc(F)cc1	743738033	QTNQIGPVMCYHRO-UHFFFAOYSA-N	420.918	4.761	50	20	HJGD	
CC[C@@H](C)n1c(SCC(=O)NNc2ccc(F)cc2C)nnc1-c1ccccc1	748551978	RUQLPGJRDOAQAI-OAHLLOKOSA-N	413.522	4.599	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1cccc([N+](=O)[O-])c1C	748670642	VGIBGOCXQSNBJZ-UHFFFAOYSA-N	402.863	4.745	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNc2cc(Cl)ccc2Cl)c1C	752808937	ZIKLSCDAWADQPH-TUTDSIAXSA-N	421.328	4.669	50	20	HJGD	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NNc1ccc(C(F)(F)F)nn1	755182663	ABPILXPMDJFTQQ-POHAHGRESA-N	408.380	4.520	50	20	HJGD	
Cc1nc(CNC(=O)NNc2ccc(Cl)c(F)c2)oc1-c1ccc(Cl)cc1	761769867	ZPHHQZDESNXWDC-UHFFFAOYSA-N	409.248	4.922	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c(OCc2cccnc2)c1	766491852	SAAYOQAWGTXOCN-JAIQZWGSSA-N	401.422	4.950	50	20	HJGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2ccc(F)cc2Br)c1C1CC1	770086769	HTYRHSKQDAMVNF-SNVBAGLBSA-N	410.291	4.782	50	20	HJGD	
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCS1	773754439	YXFGXEJGTBLPEF-SNVBAGLBSA-N	404.426	4.637	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(C(F)(F)F)cc2Cl)c1C	775604465	LNDLAVNEVDBHEL-UHFFFAOYSA-N	421.810	4.585	50	20	HJGD	
Cc1nc(COc2cccc(C(=O)NNc3nc4ccccc4cc3C)c2)cs1	777479594	ZSLZQOYMLJSRNZ-UHFFFAOYSA-N	404.495	4.644	50	20	HJGD	
O=S(=O)(NCC1(CO)CCCCC1)c1cccc(S(F)(F)(F)(F)F)c1	777989050	HHQQABCEIMPXMC-UHFFFAOYSA-N	409.442	4.565	50	20	HJGD	
CC[C@]1(CO)CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	778127023	GITKVAKHVDQBGY-AWEZNQCLSA-N	409.442	4.517	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	781075259	GHXLYHKVDZWEIY-HNNXBMFYSA-N	413.743	4.997	50	20	HJGD	
COc1ccc(NNC(=O)c2cc3sc(Nc4ccccc4C)nc3s2)nc1	781521285	QJRLUMUWTQOSMB-UHFFFAOYSA-N	411.512	4.570	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2n1CC(F)(F)F	787465483	ZHQCRABBMLNOJE-UHFFFAOYSA-N	412.755	4.522	50	20	HJGD	
Cc1cccc(Nc2ccccc2C(=O)Nc2cccc(NC(=O)NN(C)C)c2)c1C	788255680	OPSIZXNFYCRGFQ-UHFFFAOYSA-N	417.513	4.897	50	20	HJGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(Cl)cc1-c1cccc(Cl)c1	788699882	JGUKCJGXTIEUON-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
COc1cc(NNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)ccc1Cl	790181513	WETPZCPIDDHVOT-UHFFFAOYSA-N	402.857	4.554	50	20	HJGD	
O=C(CSCC(=O)c1ccc(Cl)cc1)NNc1cc(Cl)cc(Cl)c1	791730848	GXLCMPQUHYEKNB-UHFFFAOYSA-N	403.718	4.706	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1ccc(Br)cc1	793709815	UABWTBOYXBMAQT-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)c1ccc2ncccc2c1	794965678	XIUHVXBZSJAIFL-OQLLNIDSSA-N	420.259	4.912	50	20	HJGD	
Cc1nc(-c2ccccc2NC(=O)C(=O)NNc2cc(Cl)ccc2Cl)cs1	797051534	OUFYAFQJRMZWDX-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1cnc2ccccc2n1	797987435	IFRRBDADJRVNEZ-UHFFFAOYSA-N	414.252	4.657	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2c(F)cncc2F)c(C)n1CCC(C)C	804826945	FMEJEAWRDFKZOQ-QANDDYDISA-N	400.473	4.609	50	20	HJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NN=Cc3ccc([S@](=N)(=O)O)cc3)cc2C1	811634973	HYIOWDJQMKXPAZ-OAHLLOKOSA-N	419.572	4.542	50	20	HJGD	
O=C(NN=Cc1cccnc1Cl)c1cc(-c2ccc(F)cc2)nc2ccccc12	814713417	AEGZXGYDNVDXCF-UHFFFAOYSA-N	404.832	4.853	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc3cc(OC)ccc3c2)c1C	892268810	IGTLURAUDUXWDT-YDZHTSKRSA-N	418.493	4.564	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1C	915598480	WQBHLCHZYZLFGT-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCOc2ccc(C(C)C)cc2)c1C	915710742	OAPJRUWUZILSRH-JVMBGAFUSA-N	423.557	4.538	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2N(C)C)c1C	915868131	TYILFJYHNANFJP-JQFNYASXSA-N	414.937	4.577	50	20	HJGD	
CCOc1cccc(C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1	915939054	MSVTVHLESCBCKA-UHFFFAOYSA-N	420.538	4.548	50	20	HJGD	
COc1cc(C(=O)NN=Cc2cc(Cl)ccc2OC(F)F)ccc1OC(C)C	915950789	CVWPJXHVHXHQCF-UHFFFAOYSA-N	412.820	4.501	50	20	HJGD	
COCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	916058515	SPTMSGTXZAQOOQ-MOSHPQCFSA-N	403.457	4.925	50	20	HJGD	
CCc1nc2cc(NC(=O)/C(C#N)=C\c3cc(C)n([C@@H](C)COC)c3C)ccc2o1	918639888	IWUIVRJOIIVGNJ-PACYTGELSA-N	406.486	4.562	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(C(F)(F)F)cc1	920038046	YDMBSOLFBILXBN-AWEZNQCLSA-N	400.400	4.813	50	20	HJGD	
CCCCOc1ccc(-c2nnc(/C(C#N)=C/c3cc(C#N)n(C)c3C)o2)cc1OC	1257897341	WDCCGQHVBYOJDJ-VCHYOVAHSA-N	417.469	4.507	50	20	HJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1ccc(Br)cc1	1317991324	WRTIQVDPRDFFLT-UHFFFAOYSA-N	400.276	4.984	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)no3)CCC2)cc1	1786447087	ONHHEMQZHSOQRW-QGZVFWFLSA-N	417.937	4.953	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccc4o3)cc2)CCC1	1790851849	TYWCEESARBBUSX-INIZCTEOSA-N	411.889	4.593	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CC)c2ccccc2)[nH]n1	1820852555	CEDGWDRUIUKAMY-AOIWGVFYSA-N	416.953	4.613	50	20	HJGD	
Cc1[nH]ccc1C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124681	UOIMQJLVRUOCDH-UHFFFAOYSA-N	422.013	4.890	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845125047	ITXYFPZSUUQJMV-SFHVURJKSA-N	419.437	4.957	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	21607500	JQUCWWCDIALVJF-RIYZIHGNSA-N	422.790	4.756	50	20	HJGD	
Cc1cccc(NNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1	215741623	VEHDJLSRVXHOOJ-UHFFFAOYSA-N	417.553	4.585	50	20	HJGD	
CN(C)CCOc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1Cl	303693547	VWTSMXCCJXTCFI-HNNXBMFYSA-N	403.013	4.933	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3C#N)c2)cc1	731320292	UOUFJIIMZMOZRH-FYJGNVAPSA-N	409.445	4.692	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NNc1nccc2sccc12	734247070	STOOKGLCKGMVSU-UHFFFAOYSA-N	406.945	4.821	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cn(-c2ccccc2)nc1-c1cccs1	734249390	XCHDQQZNFHHFPE-UHFFFAOYSA-N	417.519	4.967	50	20	HJGD	
Cc1cc(Cl)cc2nc(SCC(=O)/C(C#N)=C3\Nc4ccccc4N3C)oc12	735235091	RSKVHRRTOIMVNR-CPNJWEJPSA-N	410.886	4.748	50	20	HJGD	
CC[C@@H](Cc1cccc(Br)c1)C(=O)NNc1cc(F)c(F)cc1F	735327270	XKEIVEXUZPRXAT-NSHDSACASA-N	401.226	4.578	50	20	HJGD	
C[C@@](CO)(NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccccc1	735863847	LNTPFGRWZDDHKX-WBVHZDCISA-N	418.868	4.935	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=C(C)c2ccc(OC(F)F)cc2)cc1Cl	741769996	UANZJKSNVJZDSA-UHFFFAOYSA-N	413.808	4.504	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1nc(-c2ccccc2)cs1	741980048	DXFUFTNXGSVVOE-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
CCOc1cccc([C@H](C)NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1	743568436	HBYFETBOGSXXKQ-KRWDZBQOSA-N	418.497	4.849	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c1	743821756	ZGXNHIKWQZNVJJ-CQSZACIVSA-N	409.477	4.834	50	20	HJGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)c1cccc(Br)c1)c1ccccc1	745525264	NOZCKZDVIJYGSK-GOSISDBHSA-N	418.335	4.571	50	20	HJGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NNc1ccc(OC(F)F)cc1	748654230	HBQLSAFJCTWYJY-UHFFFAOYSA-N	409.241	4.763	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(COc2ccccc2)cc1	748694808	AQDXXQIUGGEYDU-UHFFFAOYSA-N	416.399	4.964	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(Br)ccc1Cl	748702571	WDPJMDWURAYIID-UHFFFAOYSA-N	423.616	4.801	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1	751576675	ODHATAADLSDFBB-DEDYPNTBSA-N	405.473	4.568	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	752293633	LNYQMRATIQDUDP-HXJASHHUSA-N	420.488	4.665	50	20	HJGD	
CC(C)n1cc(Br)cc1C(=O)NNc1cc(C(F)(F)F)ccc1F	754152526	OCYCURHEYZOKLX-UHFFFAOYSA-N	408.193	4.746	50	20	HJGD	
CSc1nc(C(C)C)nc(C)c1C(=O)NNc1cc(C(F)(F)F)ccc1F	754153229	DNQALBGHFQAULW-UHFFFAOYSA-N	402.417	4.545	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)F)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F	754681083	VNDSPSVFHMXXQH-XFFZJAGNSA-N	400.278	4.992	50	20	HJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3nc(C(F)(F)F)cs3)c2c1	755851988	BNJRBELDHOQSAN-UHFFFAOYSA-N	406.433	4.961	50	20	HJGD	
CCOc1cc(Cl)ccc1NC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	759485315	ZXTFEHDIJYQNMZ-YQYFLZKSSA-N	415.921	4.910	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1	762011699	CTMNIUUJQSCHKJ-HZQOKBKYSA-N	414.509	4.583	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3ncnc4ccsc34)oc2c1	766679410	XBOGYHJKCWNCMS-UHFFFAOYSA-N	416.462	4.870	50	20	HJGD	
CCC(C)(C)NC(=O)c1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	769975375	VOAXMORBRMDFIJ-UHFFFAOYSA-N	424.423	4.652	50	20	HJGD	
COC(=O)COc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1Cl	771292269	NGWCHNCJBQRFTL-ZDUSSCGKSA-N	403.953	4.544	50	20	HJGD	
Cc1cccc(COc2ccc(NC(=O)C(=O)NNc3cccc(Cl)c3)c(C)c2)c1	773744963	GXCUHKCBCYZMHW-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
CC(C)(C)c1nnc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)o1	775094775	RYQSBXUGCDOSFK-UHFFFAOYSA-N	407.386	4.825	50	20	HJGD	
O=S(=O)(Nc1cnn(CC2CC2)c1)c1cccc(S(F)(F)(F)(F)F)c1	777632888	OMDKRWCDXDRHNL-UHFFFAOYSA-N	403.398	4.751	50	20	HJGD	
O=C(Nc1cccc(Cl)c1Cl)C(=O)NN(Cc1ccccc1)c1ccccc1	782825590	UBADISYCDUMTCR-UHFFFAOYSA-N	414.292	4.670	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3n[nH]c(C4CC4)c3C)c2C)cc1	783648484	XQVYKTJPKDAJFY-UNOMPAQXSA-N	415.497	4.557	50	20	HJGD	
C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)NNc3ccccc3Cl)c2)C1	784776365	BHPASORWSPJIAZ-YJBOKZPZSA-N	415.921	4.517	50	20	HJGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)c1cc(F)ccc1Br	785453440	JFVZTJMWKMPVTP-UHFFFAOYSA-N	403.173	4.679	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1OC	787145408	QJAAUMQTQTYYQL-UGMNDJHYSA-N	405.281	4.795	50	20	HJGD	
Cc1nc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)sc1Cc1ccc(F)cc1F	787588391	XSSKKBWUQJZOAY-OVCLIPMQSA-N	411.433	4.572	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cnc2c(cnn2Cc2ccccc2)c1	791734032	ODFZZKBICVKPRS-UHFFFAOYSA-N	412.280	4.543	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cn2cc(Cl)cc(Cl)c2n1	799832787	NBLWRDSILYAFBV-UHFFFAOYSA-N	406.660	4.600	50	20	HJGD	
COCCn1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c(=O)cc1C	807250677	KGLYHWUNDGJLMC-UHFFFAOYSA-N	412.380	4.713	50	20	HJGD	
CC(CCCCNC(=O)OC(C)(C)C)=NNC(=O)c1c(Cl)cccc1Cl	811641277	VGPYQYKZYQZEDV-UHFFFAOYSA-N	402.322	4.794	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccccc1OCc1ccncc1	914691570	AMKCRCNXEPKXSA-UHFFFAOYSA-N	411.914	4.556	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(OC)c2ccccc12	915985334	SPKZVXMZKPRYLY-ATVHPVEESA-N	402.450	4.760	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c1	918713097	KMGCCSBMGWYQBF-JYRVWZFOSA-N	413.264	4.938	50	20	HJGD	
CCN(C[C@H]1CCOC1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	920749878	UIAPAHCXMXCZQI-BAOGCXAUSA-N	411.933	4.540	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1csc(Cc2ccc(Cl)cc2)n1	1318658292	MUIWPCYPWFRXKI-UHFFFAOYSA-N	412.824	4.558	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1C(F)(F)F)c1ccccc1Cl	1326863022	IWQIWGZNQLQPHA-UHFFFAOYSA-N	405.601	4.885	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1)C(Cl)Cl	1786246094	PJNTYNXNKWVACG-UHFFFAOYSA-N	419.299	4.750	50	20	HJGD	
Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)cc1	1787772232	RZVNMOASKMVDGL-UHFFFAOYSA-N	424.617	4.523	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C=O)s3)cc2)CCC1	1788150197	UAMWSWCSKQXRIQ-UHFFFAOYSA-N	418.946	4.573	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccc2ncccc2c1	1788908022	NBEKECBNQYYJGN-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3)CCC2)cc1	1790485789	KRHBXNGPWRQAJW-LJQANCHMSA-N	416.974	4.930	50	20	HJGD	
C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](Cl)CCC)[nH]n1	1814440634	XDMRUCGNOAZFMG-RDJZCZTQSA-N	408.974	4.802	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](Cl)CCC)n[nH]1	1815319435	JNXDPTXVHLLRSN-NUJGCVRESA-N	406.958	4.578	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1	1815320816	JRAWFDHSXMTUFY-NVXWUHKLSA-N	423.344	4.777	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1	1831790346	HOUDZFHVUTUKDB-VQTJNVASSA-N	411.030	4.984	50	20	HJGD	
O=C(N/N=C1/C(O)=Nc2ccc(F)cc21)c1ccc(COc2ccc(Cl)cc2)cc1	20791484	CFNYOZAZXPTFGC-UHFFFAOYSA-N	423.831	4.794	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccccc2F)s1)C(=O)Nc1ccc2c(c1)OCCO2	46568767	ZTNPWSNNWXJRML-SDNWHVSQSA-N	406.438	4.871	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(OC)c1	79107915	QRTCVDBLILZLQD-XFFZJAGNSA-N	421.678	4.665	50	20	HJGD	
CC(C)[C@H](NC(=O)CCCC[C@H]1CCSS1)c1nc(-c2cccnc2)no1	728073605	MKVONPQPNZTCPA-RDJZCZTQSA-N	406.577	4.659	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](C)C#N)c(C)n1-c1cccc(Cl)c1Cl	732111339	JHSAERRRTSFZCW-LUMBYOQCSA-N	401.297	4.584	50	20	HJGD	
O=C(CSc1cccs1)Nc1ccc(C(=O)NNc2cccc(Cl)c2)cc1	735270522	RUIRMSSYVYXFJX-UHFFFAOYSA-N	417.943	4.889	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC3CCOCC3)cc2)c1C	736517950	TWEDTTBWPNOKAW-JCMHNJIXSA-N	421.541	4.866	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(C3CCOCC3)[nH]n2)c(C)n1C1CCCCC1	742785443	WFMHWSLHGVNKLR-MOSHPQCFSA-N	421.545	4.773	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC3(CCOCC3)C2)c(C)n1-c1cccc(Cl)c1	743784063	QDKGRAQHQHNQDC-DEDYPNTBSA-N	423.944	4.684	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F	745234494	KNLJDWNEEXIYHO-AWEZNQCLSA-N	410.424	4.729	50	20	HJGD	
CCCc1ccc([C@@H](NC(=O)NNC(=O)c2cccc3cccnc23)C(C)C)cc1	747460519	XTQURQCLZRKQMV-NRFANRHFSA-N	404.514	4.529	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccccc3Br)s2)cc1	748058681	JHNPPCAZRLISBO-UHFFFAOYSA-N	418.316	4.647	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1sc(COc2ccc(Cl)cc2)nc1C	748549313	KAEPVYLXBUTPRF-UHFFFAOYSA-N	405.882	4.888	50	20	HJGD	
CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(CCCCl)cc1	751270689	JQNZRXUBIQBTKL-UHFFFAOYSA-N	420.731	4.585	50	20	HJGD	
CSc1cc(Br)ccc1C=NNC(=O)c1ccc(Cl)cc1F	755891911	NSXJMWDFIKVLJU-UHFFFAOYSA-N	401.688	4.727	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2c(Cl)oc3ccccc23)cc1Br	761259026	OSINHMPDVWLLLJ-UHFFFAOYSA-N	407.651	4.621	50	20	HJGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762411631	VSOIYKZWLIRUJQ-LBPRGKRZSA-N	423.407	4.914	50	20	HJGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1Br	765612914	GJXSOJMNCVMVBF-WIMOKQHYSA-N	400.188	4.886	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3c(F)cccc3Cl)c3c(C)noc3n2)c(C)o1	770197030	FYUACTIGFXCEHA-UHFFFAOYSA-N	414.824	4.957	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccccc1CCC(F)(F)F	771680250	GGNLKLRCUUDUSG-UHFFFAOYSA-N	405.189	4.840	50	20	HJGD	
Cc1coc2ccc(NC(=O)C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc12	773503043	ZZLVZWOMMBXKPL-UHFFFAOYSA-N	412.660	4.783	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)cc1	775486852	FMTYWCVOQJEAKC-GOSISDBHSA-N	411.387	4.904	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1nc(-c2cccc(Cl)c2)ns1	775760546	LLRVXBTVTHRLIC-UHFFFAOYSA-N	415.693	4.709	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NNc1ccccc1OC(F)(F)F	779210073	ZHWJPTBPSFAGGG-UHFFFAOYSA-N	424.810	4.549	50	20	HJGD	
Cc1nc2cc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)ccc2s1	781199909	HOLFHPKXGZJBDA-ACEGTKJHSA-N	420.538	4.748	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1cc(-c2ccc(Cl)s2)nc2ccccc12	781818931	RFUOIHWPZWVEIH-UHFFFAOYSA-N	416.293	4.817	50	20	HJGD	
C[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1CC(C)(C)O	782074203	ZYYVOZUZOMMYIX-GFCCVEGCSA-N	417.444	4.653	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc([C@@H](C)OC)n2)c1C	782469664	LKUOYUGXCNXOOY-VHWUNXFSSA-N	401.532	4.719	50	20	HJGD	
Cc1cscc1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783460428	AUEWNONFNSSQRE-UHFFFAOYSA-N	407.407	4.833	50	20	HJGD	
COc1ccc(NNC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1Cl	785116118	ANNIIGITNXTJSB-UHFFFAOYSA-N	403.910	4.677	50	20	HJGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C(C)C)cc2C(C)C)cc1Cl	785117149	NUKCALDEUYHQBS-UHFFFAOYSA-N	403.910	4.677	50	20	HJGD	
N#C/C(=C\c1cccc(I)c1)C(=O)c1ccc2ncccc2c1	789158708	GKFHQMNDQHMPKD-CXUHLZMHSA-N	410.214	4.629	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](C)Sc3ccccc32)c1C	791012723	XTDOETUPVONPDG-PNWWAVQQSA-N	409.555	4.576	50	20	HJGD	
CO[C@@H](C)c1nsc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)n1	800991020	WWDKKRQJJXQNCX-GYXHFJGISA-N	421.526	4.507	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(F)cc1	804206926	VPEBQPWLGIKMBV-UHFFFAOYSA-N	418.394	4.722	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	805383539	GBCWOKGTKOHINM-UHFFFAOYSA-N	420.853	4.661	50	20	HJGD	
Cc1ccccc1-n1nc(C)c2cc(C(=O)NNc3nccnc3C3CCC3)sc21	805470123	UWOUFFFDQKOZSW-UHFFFAOYSA-N	418.526	4.518	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)C(C)(C)C3CC3)cc2)cc1	806380532	XEQYVFZSUIYBFH-UHFFFAOYSA-N	400.544	4.522	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)Cc1c[nH]c2cccc(Cl)c12	814313419	WDGXQUTUKCZZNO-UHFFFAOYSA-N	400.935	4.505	50	20	HJGD	
CCC[C@H](C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	852997506	FRVNDTWRYLNURJ-YXQGDLBPSA-N	413.562	4.754	50	20	HJGD	
Cc1nc2ccccc2n1CCCNC(=O)NN(Cc1ccccc1)c1ccccc1	915906698	HLJWCGZCOZNURU-UHFFFAOYSA-N	413.525	4.656	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCCCC(=O)Nc2c(C)cccc2C)cc1	916596033	DPSSWVUKRWNNAN-HMMYKYKNSA-N	406.482	4.571	50	20	HJGD	
COc1ccc(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cc1O	918216409	PZVZELWYTNKHOV-HNNXBMFYSA-N	420.840	4.942	50	20	HJGD	
COc1cccc(Oc2ccc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)cc2)c1	918678131	ZHOHGPIICZNXHO-WQRHYEAKSA-N	412.449	4.552	50	20	HJGD	
Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1ccc(CCCl)cc1	918747735	ZMQNOYFJGLJCJJ-UHFFFAOYSA-N	414.958	4.562	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@H](c1ccc(Cl)cc1)c1ccsc1	920046840	LGRBNXIGRALICB-LJQANCHMSA-N	424.913	4.616	50	20	HJGD	
Cc1nn(C)c(C)c1CCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	1317791437	XYECYTXQIVNOPJ-MRXNPFEDSA-N	405.873	4.828	50	20	HJGD	
Cc1ccc(Cn2ncc3c(C(=O)NNc4ccccc4Cl)cc(C)nc32)cc1	1335032289	PRKZKTAMJZGAFY-UHFFFAOYSA-N	405.889	4.507	50	20	HJGD	
O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NNC(=O)Nc1ccccc1	1340042830	LZJCNPWMMUNUEE-UHFFFAOYSA-N	421.309	4.512	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3scnc3C)cc2)CCC1	1787423121	ZYYAETNRBISCPG-INIZCTEOSA-N	405.951	4.607	50	20	HJGD	
Cc1ccccc1C(=O)Nc1ccc(C2(NC(=O)CO[Si](C)(C)C)CCC2)cc1	1790254291	UJXLQCKYMATGSO-UHFFFAOYSA-N	410.590	4.594	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3C)cc2)CCC1	1790345774	FGLKLJYZGIWKFP-HXUWFJFHSA-N	414.933	4.769	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)CC3CCCC3)CCC2)cc1	1791360204	SFXAPTKYXJRLOC-GOSISDBHSA-N	421.379	4.874	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)(C)C)cc1)C2	1793683183	LISDGGPQIIVWSO-AJYBTWMASA-N	420.981	4.523	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2C)[nH]n1	1815314555	LVGAVWHWVBSBDX-QAPCUYQASA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1	1824611246	INABWLYMXRWDQR-OYQYDDJWSA-N	423.022	4.789	50	20	HJGD	
Cc1ccc(-c2ccccc2C(=O)N2CC3(CCCN3C(=O)C(C)(C)CCl)C2)cc1	1841227260	YUYGZYDDDLNIHN-UHFFFAOYSA-N	424.972	4.744	50	20	HJGD	
O=C(NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1c[nH]c2ccccc12	15471802	YKNXFBPQFCZDHF-QHCPKHFHSA-N	408.461	4.508	50	20	HJGD	
Cc1cccc2sc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)nc12	72110655	RFUILDAOYLWQKJ-LOHYDARVSA-N	420.538	4.748	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccccc3Cl)c2C)cc1	211712398	QDQHEBIRMLJBDA-PDGQHHTCSA-N	420.900	4.756	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c(C)n1C1CCCCC1	726531421	XLQQPGPLBDDEIA-ORTNRGLGSA-N	405.546	4.646	50	20	HJGD	
CCCNC(=O)Nc1cccc(OC(=O)/C(C#N)=C\c2cc(C)n(CCC)c2C)c1	729213063	PYYNNHZPPHAXTI-UYRXBGFRSA-N	408.502	4.559	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNC(=O)C(C)(C)c1ccccc1)oc1ccccc12	731218050	QPDWJACUCNBRRT-UHFFFAOYSA-N	417.465	4.725	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc([S@@](C)=O)c2)c(C)n1C1CCCCC1	732123289	VTRASGRGRHYZGA-BOLOISJXSA-N	409.555	4.893	50	20	HJGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)C[C@@H](C)N1C(=O)OC(C)(C)C	733184751	MHHMLTXDIVADPC-BZUAXINKSA-N	402.626	4.557	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(OCC#N)cc2)c(C)n1CCC(C)C	733414477	HBSXYTMDRQAKRH-HYARGMPZSA-N	405.498	4.704	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(OC(F)F)c2)c1C	734118139	TZKQWZRGYBCXMR-QANDDYDISA-N	417.456	4.768	50	20	HJGD	
COc1cc(C(=O)NNc2nccc3sccc23)ccc1OCc1ccccc1	734250097	PZHYFMIJXRIOPF-UHFFFAOYSA-N	405.479	4.641	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)Cc2coc3ccc4ccccc4c23)c1C	734255991	BMWYGATWIRSMMA-UHFFFAOYSA-N	423.476	4.741	50	20	HJGD	
Cc1ncc2c(n1)CCC[C@@H]2NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	734793787	QYGNVMQDNDZXKK-BKVHRCCISA-N	417.557	4.809	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccn(C(C)C)n2)c(C)n1-c1ccccc1F	735123596	KFHDOZMTYVLGGL-UNOMPAQXSA-N	406.461	4.661	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(\C#N)c3nc4c(C)ccnc4[nH]3)o2)c([N+](=O)[O-])c1	741472781	JYJFZANACBPZRQ-UKTHLTGXSA-N	401.382	4.507	50	20	HJGD	
Cc1cccc(NNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1	743298739	CFYLWXFBZBMYAT-ZCYQVOJMSA-N	413.521	4.618	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)ccc1Br	743416234	MRDCGLVOTJEVAY-UHFFFAOYSA-N	424.726	4.762	50	20	HJGD	
Cc1cc(C)c(NNC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(C)c1	743765194	YWWYJUOPBQJRNT-UHFFFAOYSA-N	422.573	4.710	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc1	744723066	FLXDSMATNSVWPI-BMQCOBNYSA-N	409.433	4.735	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=CC2=Cc3cc(Cl)cc(Cl)c3OC2)o1	746494697	QAGZENAFNJMERN-UHFFFAOYSA-N	422.312	4.620	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NNc1cccc(Br)c1	748019891	PQMBEGPWIUQIKL-UHFFFAOYSA-N	422.735	4.912	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)c(C)n1CC(C)C	749141462	IRMFOMVFMZSMDF-QGMBQPNBSA-N	422.920	4.541	50	20	HJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)Nc3cc(C)nn3-c3ccc(C)cc3)co2)cc1	749886952	RNTBLCPYSQCTNU-MOSHPQCFSA-N	423.476	4.998	50	20	HJGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cc(Cl)ccc1Sc1ccccc1	755431130	GKNDAFABSYEDCR-UHFFFAOYSA-N	403.813	4.596	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(Cl)cc2Cl)nn1)c1nc(-c2ccccc2)no1	755586464	IRDZLTMNDGMZLN-JYRVWZFOSA-N	409.236	4.688	50	20	HJGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNc1ccc(OC(F)(F)F)cc1	761590372	LRRMTQDRROEKNY-UHFFFAOYSA-N	407.417	4.698	50	20	HJGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762725508	WYTVVJYSROUJOD-MRVPVSSYSA-N	415.413	4.785	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc([S@](C)=O)c(F)c2)c(C)n1CCC(C)C	765101634	ZXMJBODPEQBSKA-VKUFTZFMSA-N	415.534	4.573	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(-c3ncco3)c2)c1C	766054018	SWQUSNYYBSVYCA-LELXDKESSA-N	418.497	4.821	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)NNc3cccc(Cl)c3C)cn2)cc1C	773768090	KLXJDEXQTUUMPG-UHFFFAOYSA-N	424.888	4.534	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(OCC2CCOCC2)cc1	775636303	MGACSOFHDKBYEC-UHFFFAOYSA-N	409.408	4.659	50	20	HJGD	
N#C/C(=C/c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccccc1OC(F)F	775638736	GOAVFFZHLPBAJY-XFFZJAGNSA-N	423.169	4.749	50	20	HJGD	
Cc1nc(C(=O)NNc2ccc(F)cc2Br)c(-c2ccccc2)s1	778935865	GDJRFURXQVQDIK-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
Cc1cc(NNC(=O)c2cccc(Br)c2Cl)ccc1Br	780516472	OGXLDAUWTZEPTL-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
O=C(NNc1ncncc1Cl)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1	781829952	NVZDCKGFWOUFGX-INIZCTEOSA-N	423.687	4.700	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@H]1C2	783461084	KZMKVKJPPQJKRT-KWBADKCTSA-N	405.410	4.585	50	20	HJGD	
COC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1F	783562129	DFJFQIMRLAQOGI-RQZCQDPDSA-N	412.465	4.624	50	20	HJGD	
CC(=O)N(c1nc(COC(=O)/C(C#N)=C/C2CC2)cs1)c1c(C)cc(C)cc1C	786673887	MIPBRRBNBBPSLP-GIJQJNRQSA-N	409.511	4.656	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	788193725	WZVMJYDRKSQEOS-UHFFFAOYSA-N	418.428	4.617	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccccc1Br	795190867	BBJDCTZIGZKJLZ-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(Cl)cc(F)c1Br	803119233	UOWUEBUWDQEHDV-UHFFFAOYSA-N	413.461	4.700	50	20	HJGD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	808959717	ZHYJXRHGGMVIHL-BONVTDFDSA-N	422.375	4.921	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3c2COC3=O)c(C)n1C1CCCCC1	809224926	HVAJXFGMYDTXRF-LDADJPATSA-N	403.482	4.826	50	20	HJGD	
N#C/C(=C/c1cscc1C(F)(F)F)C(=O)Nc1nc2ccccc2nc1Cl	811626437	INUSLWLFDNEOMF-UITAMQMPSA-N	408.792	4.909	50	20	HJGD	
Cc1c(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)n(C)c2ccccc12	814695443	BVSQRVJGGMUKOG-UHFFFAOYSA-N	419.488	4.861	50	20	HJGD	
C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NNc1ccc(OC(F)F)cc1	857473909	KBWHYRXUYRLHKU-NSHDSACASA-N	404.335	4.509	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c(OC)c1	857576301	FWQGWSHFYRLSBL-PDGQHHTCSA-N	419.456	4.796	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1C	914510682	UFXVIZQPBXXFAA-DOUQRPAJSA-N	418.541	4.780	50	20	HJGD	
N#C/C(=C/c1csc(-c2cccc(Br)c2)n1)C(=O)Nc1nccs1	915851880	YDZYTBMKEYLRGM-XFFZJAGNSA-N	417.313	4.575	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cnn(C(C)(C)C)c3)n2)c1	915985270	KTOLTTMFCOIEKO-MFOYZWKCSA-N	405.527	4.924	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccnc(N3CCCCC3)c2)c1C	916443775	FUUQBXXPSWFYCV-XQNSMLJCSA-N	419.573	4.514	50	20	HJGD	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	916735784	IMXAYDFQDMWMQE-QMMMGPOBSA-N	422.095	4.529	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC2CCN(C(C)(C)C)CC2)c1C	918653105	FFNIAWKKYVWAFE-JWGURIENSA-N	418.585	4.689	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccccc2OC(C)C)c(C)n1C[C@H]1CCCO1	918953714	WVEYKIVSXNNOOK-ZWULCIMOSA-N	422.525	4.722	50	20	HJGD	
CCc1ccc(-c2n[nH]c(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)n2)cc1	1115811831	PAIRTNVBEWAFNP-HKWRFOASSA-N	419.535	4.648	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(Nc3ccccc3)CC2)c1C	1338244472	VGSVTHUIVOWZKI-XLNRJJMWSA-N	404.558	4.915	50	20	HJGD	
NCC(=O)Nc1ccc(C2(NC(=O)CCCCCCCCCCCl)CCC2)cc1	1787972613	QKQVSQLXGVLGSX-UHFFFAOYSA-N	422.013	4.829	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)cc3F)cc2)CCC1	1790661768	SCTSSQJXXUHEME-SFHVURJKSA-N	418.896	4.687	50	20	HJGD	
CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)[C@H](F)Cl)CC2)C1)c1ccccc1	1809158857	WJQXYYSGDODVPQ-IHPCNDPISA-N	422.972	4.582	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2)CC1	1824616382	KRWCHTPJVKCMLR-LEWJYISDSA-N	404.982	4.636	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2C)CC1	1832570710	WTJBWWKRVGPGMO-SFTDATJTSA-N	404.982	4.554	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3cnco3)c2)c1C	210095489	CXZNPUMSBGXAGV-FCASDWRQSA-N	404.470	4.513	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CC[C@H](N2CCCCC2)C1	730897611	OFYVPYRRAJNWAQ-XJKSGUPXSA-N	421.916	4.998	50	20	HJGD	
CC(C)(C(=O)NNC(=S)Nc1ccccc1Oc1ccccc1)c1ccccc1	731161289	TXNKQWDZEBUIMV-UHFFFAOYSA-N	405.523	4.774	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1Br	733203273	AOSDBFOTKKZNBE-UHFFFAOYSA-N	407.136	4.510	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccn(-c3ccncc3)n2)c(C)n1C1CCCCC1	733769536	HHPUMXWUNKCARB-HKWRFOASSA-N	414.513	4.737	50	20	HJGD	
O=C(NNc1nccnc1Cl)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1	734260809	PUYJGHFTJDGTJQ-HNNXBMFYSA-N	423.300	4.899	50	20	HJGD	
COc1ccc([C@@H](CNC(=O)NNc2ccccc2)c2c[nH]c3ccccc23)cc1	734264670	LDCMQESSKRNSBP-OAQYLSRUSA-N	400.482	4.635	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3C)o2)cc1	734305594	DEDOHEKIQQOBJP-JXAWBTAJSA-N	404.441	4.669	50	20	HJGD	
Cc1c(C(=O)NNc2ncccc2C(F)(F)F)oc2ccc(Br)cc12	740086631	BXRQYKQAJGJOKD-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc(N3CC=CC3)c2)c(C)n1CCC(C)C	741949427	ZMDBHEWWHJUZSF-LFVJCYFKSA-N	416.569	4.751	50	20	HJGD	
C[C@H](CSc1ccccc1)C(=O)NNc1c(F)cc(F)cc1Br	741979882	MKXZJUSCAMUKQW-SNVBAGLBSA-N	401.276	4.599	50	20	HJGD	
O=C(NNC(=O)N[C@H](Cc1ccccc1)C1CC1)Nc1ccc(-c2ccccc2)cc1	743626486	SRHFNLOWZGPINN-HSZRJFAPSA-N	414.509	4.711	50	20	HJGD	
CCCCN(C(=O)NNC(=O)c1cccc(Br)c1)[C@H](C)c1ccc(C)o1	743686698	DYVANIVDJJRRGP-CQSZACIVSA-N	422.323	4.568	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc(OC)c1O	747063650	PRIQNOXEGRRQMP-XNTDXEJSSA-N	419.506	4.783	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	748008749	XKNGNPSZZJTPBG-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1ccc(CCCCl)cc1	751269683	XKDQDXYWLKUSQV-UHFFFAOYSA-N	408.951	4.562	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(C(F)(F)F)ccc1F)c1ncc(-c2ccccc2)o1	754648100	YUGPVZDKLYLJMB-NSHDSACASA-N	408.355	4.887	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1Br	761588100	DOUVSHJACVSJML-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1CCO[C@H](C2CC2)C1	765121476	TUXIDLKTWLAWFC-WHOFXGATSA-N	408.873	4.985	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1	767028273	BEKBEGXICPLQIK-AWEZNQCLSA-N	413.699	4.933	50	20	HJGD	
COc1cc(OS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)ccc1C#N	767597040	MMJQHRCKMNYWAK-UHFFFAOYSA-N	415.361	4.992	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)C(=O)C3CCCCC3)cs2)cc1	767713041	IUKJZRMYTFQWSG-ATVHPVEESA-N	409.511	4.893	50	20	HJGD	
N#CCc1ccc(OCc2cccc(NC(=O)NNc3ncccc3Cl)c2)cc1	769961506	KGYHDYZFYYNJFC-UHFFFAOYSA-N	407.861	4.529	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1cc(-c2nnc3n2CCCCC3)ccc1F	770015472	HKNWWOMUVGTPCS-UHFFFAOYSA-N	414.872	4.613	50	20	HJGD	
Cc1ccc2nc(COc3ccccc3C(=O)NNc3c(F)cccc3Cl)cn2c1	770191219	QTGSTXWCEHARDG-UHFFFAOYSA-N	424.863	4.771	50	20	HJGD	
Cc1nc(NC(=O)c2c(C)nn(CCCl)c2C)sc1Cc1ccc(F)cc1F	773544334	CVRBOEGGEPQDGE-UHFFFAOYSA-N	424.904	4.625	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccncc3)ccc2OC)cc1Cl	773906850	HDQLRBNFNGTSSF-LDADJPATSA-N	419.868	4.965	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1	781553551	ATYBOEKQAUHVBS-UNOMPAQXSA-N	406.438	4.849	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1Cl	782108213	QLKPKIMADZBODY-DAXSKMNVSA-N	423.609	4.945	50	20	HJGD	
Cc1ccnc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)n1	787302387	DCWJKKJWHGRISA-KGENOOAVSA-N	407.477	4.891	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1	791494108	RLXSPJWMLPETOY-RNCFNFMXSA-N	420.806	4.729	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc(Cl)c(Cl)cc1F	799263173	QXNYYXBODZHZCI-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)Nc1ccc(OCc2ccccn2)c(Cl)c1	814626178	YVALLCVQYCQBGM-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1	815906380	XQQGWRYAZPQMEG-UHFFFAOYSA-N	406.751	4.642	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)c1cccc(C)c1C	914528899	HITBAZRMSGDDGW-DZSAKIAFSA-N	405.542	4.861	50	20	HJGD	
N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1nc2ccccc2nc1Cl	915852616	RVTKWKFZHXRBOB-WQLSENKSSA-N	413.662	4.591	50	20	HJGD	
CCCOc1ccccc1Oc1ncccc1CNC(=O)NNc1ccc(F)cc1	918227549	GIZDGCHRQGCCQO-UHFFFAOYSA-N	410.449	4.628	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(F)c(F)c2)c1C	918817158	ADNHKLVZAJJSOY-SYYUJBFQSA-N	402.441	4.802	50	20	HJGD	
CCCn1cc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)ccc1=O	919846148	IZRZOVJDJCDCCR-KGENOOAVSA-N	414.509	4.520	50	20	HJGD	
CN1CCN(c2ccc(/C=C(/C#N)C(=O)c3c(Cl)cccc3Cl)cc2F)CC1	1319161298	NAQGUQNKSOXSCR-PTNGSMBKSA-N	418.299	4.674	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccc2scnc2c1	1788584671	GIAFSPUSJCVHRM-QGZVFWFLSA-N	417.893	4.578	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)c(Cl)c1	1788588511	VTKDQHWSMYIELV-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)cccc2C)n[nH]1	1821187020	VQJPNPWROXKWLZ-WMZOPIPTSA-N	416.953	4.740	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1C	6334485	YWUKGKUDPGABCK-UHFFFAOYSA-N	416.506	4.743	50	20	HJGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNC(=O)c1cc2c(s1)CCCCC2	303217123	UDUXVUXTYCHOCY-HNNXBMFYSA-N	410.461	4.514	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl	727264277	PFVPNSSYBRCYOH-ZROIWOOFSA-N	420.271	4.515	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNc1ncccc1Cl	734247351	FHLBMTGNMNOLAN-UHFFFAOYSA-N	402.885	4.944	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(C2CCCCC2)cc1	741772288	VDKABETXXPTJDR-UHFFFAOYSA-N	413.543	4.684	50	20	HJGD	
Cc1cccc2c(CCC(=O)NNc3c(F)cc(F)cc3Br)c[nH]c12	741979500	BKONQZPUKPORNI-UHFFFAOYSA-N	408.246	4.593	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCC(OCC4CC4)CC3)c2C)c1	743784232	DXNMJZYFZXDWPF-HAHDFKILSA-N	417.553	4.727	50	20	HJGD	
CC(=O)Nc1cccc2c1CCCN2C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	743833313	SJHDXRXKSZFHRD-BKUYFWCQSA-N	418.541	4.606	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccc(Cl)cc1Br	748074335	YCVODEJFHRELBG-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)c1	749358041	NXKCHQZGFBYDBL-MKMNVTDBSA-N	401.249	4.866	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cccc(-c2ccccn2)c1C	754874199	IIRUDUFQNUSDFZ-UHFFFAOYSA-N	404.539	4.559	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc(-c2ccccn2)ccc1Cl	755181488	UTOFKHYKONEHFB-UHFFFAOYSA-N	402.679	4.921	50	20	HJGD	
COc1ccc(C(=O)NNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1OC	755363178	SWTSRRMOBAVRSW-UHFFFAOYSA-N	419.441	4.586	50	20	HJGD	
Cc1cc(C(=O)NNC(=S)Nc2ccccc2C(C)C)ccc1Br	757641979	OQVQMMWFMFMEBD-UHFFFAOYSA-N	406.349	4.512	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2ccncn2)ccc1OCCOc1ccc(C)cc1	758917510	WTTRMLAAPPPSOT-XSFVSMFZSA-N	401.466	4.706	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cccc2[nH]c(-c3cccs3)nc12	759974782	DRZAGYQHRRQEEH-UHFFFAOYSA-N	413.300	4.811	50	20	HJGD	
Cc1ccc(-c2noc(CCC(=O)NNc3c(Cl)cccc3Cl)n2)cc1F	763623524	GDPFKLNQKXZTIY-UHFFFAOYSA-N	409.248	4.567	50	20	HJGD	
CC(C)c1nccn1Cc1cccc(NC(=O)NNc2ccc(F)c(F)c2F)c1	769961246	ITBRHXMWKKGZOD-UHFFFAOYSA-N	403.408	4.621	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NNc1ccc(F)c(F)c1F	769982881	IVUBIKZNNKZDQF-ZDUSSCGKSA-N	420.435	4.576	50	20	HJGD	
COc1ccccc1COC1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	770244478	TXOWJVIVSOBXMB-LJQANCHMSA-N	409.617	4.917	50	20	HJGD	
Cc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)cc1NC(=O)c1ccccc1	775271081	AQFSASSSMUFSPU-UHFFFAOYSA-N	415.280	4.706	50	20	HJGD	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NNc3ccc4ccccc4n3)c12	777465305	ISSRYEISKQTLOU-UHFFFAOYSA-N	415.497	4.994	50	20	HJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1	777809783	UXELLCDRBMPSPH-BDBXIWDTSA-N	406.490	4.505	50	20	HJGD	
C[C@H]1CCCN([C@@H](C)CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777880759	RIYUKWOULMGPGT-STQMWFEESA-N	422.485	4.743	50	20	HJGD	
Cc1cccc(NC(=O)NNC(=O)Nc2ccc(Br)cc2Cl)c1C	778232093	HYPSYXRMZZSKMD-UHFFFAOYSA-N	411.687	4.578	50	20	HJGD	
Cc1cc(NNC(=O)c2c(F)ccc(C)c2Br)ccc1Br	787462145	SDDBCRWMCYVFEB-UHFFFAOYSA-N	416.088	4.724	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cc(-c2ccccc2)nc2ccccc12	788562660	QEKLHUCCRFMJFK-UHFFFAOYSA-N	424.489	4.572	50	20	HJGD	
COc1cccc([C@H](C)CCCC(=O)NNC(=S)Nc2cccc(Cl)c2)c1	788720088	JTZMGPQWUYAVAW-CQSZACIVSA-N	405.951	4.640	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2cnc(-c3ccc(Cl)cc3)s2)cc1	789129995	ZBUNOBDBBYFNDW-MHWRWJLKSA-N	409.898	4.695	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(Br)cc2C(F)(F)F)ccc1Cl	790168382	LDXQDQZZCNQAEP-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1	800133770	QKRCLRNPFMUHFP-UHFFFAOYSA-N	410.223	4.586	50	20	HJGD	
Cc1cc(C(C)(C)C(=O)NNc2cccc(C(F)(F)F)n2)ccc1Br	810427400	FVXWSZRHWJXYLK-UHFFFAOYSA-N	416.241	4.592	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1F)c1cccc(Br)c1	812536684	KYCJCMHFASEGBN-SECBINFHSA-N	416.088	4.598	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=C3CC[C@@H](C(=O)O)[C@@H](C)C3)c3ccccc3n2)cc1	814713794	IVCMSPHXNALDPP-QFBILLFUSA-N	415.493	4.817	50	20	HJGD	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNc1cccc(Cl)n1	817009344	GAUGEVDSWKOVOQ-PLNGDYQASA-N	409.717	4.929	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1	915910470	HWDYCOLPLVNUJS-LJQANCHMSA-N	414.292	4.727	50	20	HJGD	
CCC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccccc1	917369275	BFMOKPHRBYSBAQ-GLRUCIJKSA-N	405.542	4.849	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1	918089737	UWDLYUDCPGKPGI-MRXNPFEDSA-N	407.445	4.632	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cccc(OC(C)C)c2)c(C)n1C[C@H]1CCCO1	918951558	AQALLAXPTRVXHU-LYRGBEMXSA-N	422.525	4.722	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)CCc2ccccc2)c(C)n1C[C@H]1CCCO1	918952806	KVDQAZCQHODZIK-ZCTPCOKVSA-N	406.526	4.755	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(COCCc3ccccc3)c2)cc(C#N)n1C	920855229	DGPKAROBIJZHSB-OEAKJJBVSA-N	424.504	4.510	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCc2coc(-c3ccccc3)n2)c(C)n1CC(C)C	1251498402	ULWNPOISLXGYQX-LPYMAVHISA-N	416.525	4.682	50	20	HJGD	
CN1CCN(c2ccc(/C=C(/C#N)C(=O)c3c[nH]c4cc(Cl)ccc34)cc2F)CC1	1323446106	XLDWPKMVXBCWBV-YBEGLDIGSA-N	422.891	4.502	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1	1786442305	GKCXDDUZACZXRP-IBGZPJMESA-N	402.922	4.754	50	20	HJGD	
Cc1cccc2cc(C(=O)Nc3ccc(C4(NC(=O)[C@H](F)Cl)CCC4)cc3)[nH]c12	1789253720	XFYIEJPEOUSWFI-IBGZPJMESA-N	413.880	4.758	50	20	HJGD	
C[Si](C)(C)OCC(=O)Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1	1789649699	HCOACXILIPECRR-UHFFFAOYSA-N	420.969	4.532	50	20	HJGD	
Cc1occc1C(=O)NC1(c2ccc(NC(=O)[C@@](C)(Cl)CCl)cc2)CCC1	1790491887	NMZXUEXYVFMUHV-IBGZPJMESA-N	409.313	4.572	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(O)ccc3F)cc2)CCC1	1790642706	PQILCPJPRLZCDK-SFHVURJKSA-N	418.896	4.687	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccoc4s3)CC2)C1	1805259838	IIHLXCOGCVWJSV-UHFFFAOYSA-N	422.978	4.604	50	20	HJGD	
CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)cc1	1814697707	WZEPXJHNPLXJMA-SFHVURJKSA-N	416.953	4.543	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C)[nH]n1	1815315354	XFVDGTNCOMLFBB-AEFFLSMTSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2)CC1	1824614293	LGYPQTIAVXTSGA-WYCPQIHASA-N	416.993	4.727	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccc(NC(=O)c2ccco2)cc1	11146412	MUFMLIPAENTSKP-QGZVFWFLSA-N	404.557	4.862	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(O)c2c3c(sc2n1)CCCC3	35151819	ZSLXZULQFZUXKI-XFFZJAGNSA-N	412.858	4.901	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1	303504859	NAEGXGYHOKFPLA-XNTDXEJSSA-N	420.450	4.663	50	20	HJGD	
CCCC1C/C(=C/c2cnn(CCCl)c2)C(=O)/C(=C/c2cnn(CCCl)c2)C1	728695369	VDASSLYNLWOJLU-DIEJBQTFSA-N	421.372	4.803	50	20	HJGD	
O=C(NCc1ccccc1Sc1ccccc1)NNC(=O)c1cccc(Cl)c1	730583073	BLQLSQADXHAOMW-UHFFFAOYSA-N	411.914	4.635	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)oc1-c1ccccc1	731341700	QEIBKGGJNSRIBT-UHFFFAOYSA-N	400.394	4.674	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1cc(Br)ccc1OC(F)F)c1ccccc1	731930977	VDXAZHOGUYISGB-HNNXBMFYSA-N	411.246	4.694	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1C	740944054	MEXTVQJBCSHFNQ-OUQXZNHLSA-N	420.340	4.579	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)NC(=O)CC3)c(C)n1CCC(C)C	741721844	SQEXWAWPDBJTLM-UDWIEESQSA-N	404.514	4.581	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	741870686	ZEDFMVQNKHRQGX-PELKAZGASA-N	409.770	4.726	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)C1(c2ccccc2)CC1	742005538	YFIPBQHDCUMTQO-UHFFFAOYSA-N	400.103	4.931	50	20	HJGD	
COc1cc(CCC(=O)NNc2c(C)cc(C)cc2C)ccc1OCC(F)(F)F	743765714	ZRUNMMOFRPKYCQ-UHFFFAOYSA-N	410.436	4.637	50	20	HJGD	
O=C(NNC(=O)c1csc(-c2ccoc2)n1)Nc1ccc(-c2ccccc2)cc1	743826094	SKRYTVSKSTYESB-UHFFFAOYSA-N	404.451	4.537	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(Cl)cc(Br)cc1Cl)c1cccnc1	745311465	XMCGHNOUHIDSEQ-MRVPVSSYSA-N	404.095	4.538	50	20	HJGD	
CC(C)Cc1ccc([C@@H](NC(=O)NNC(=O)c2cccc3cccnc23)C(C)C)cc1	747538347	ZZMQPRRDUAGWNM-QFIPXVFZSA-N	418.541	4.775	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1C	747679699	CWZNVUPLWSIHTL-PXLXIMEGSA-N	418.541	4.573	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2ccccc2F)o1	748005785	OHCGFFWCBNUDNP-UHFFFAOYSA-N	418.384	4.813	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc2c(c1)nc(O)n2C1CCCC1	751316705	YKQCIGUNQPEZSK-UHFFFAOYSA-N	404.392	4.633	50	20	HJGD	
C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752981168	NHHNADNZIHXDOS-GFCCVEGCSA-N	417.444	4.653	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1csc(-c2cccc(Cl)c2)n1	755855518	YUIZDQVYBPYRPV-UHFFFAOYSA-N	404.826	4.696	50	20	HJGD	
Cc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)c(OC[C@@H]2CCCO2)c1	758160912	AYSJUHHFHCIJFV-RBUKOAKNSA-N	409.617	4.883	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(OCc2cccnc2)c1	766483275	GCVDJIFIFPRJGZ-YBFXNURJSA-N	409.445	4.940	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2Cl)cc1OC	767717193	IUEIZMBIWDUVHC-GHXNOFRVSA-N	421.678	4.665	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1C	768060509	FRZCETYTVJQBOJ-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)NNc1c(F)cccc1Cl	771674072	LAWDPRCCHDLPGU-FQEVSTJZSA-N	414.864	4.625	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cccc(Oc2nccs2)c1	771681795	XWJWEYLGDIAVGH-UHFFFAOYSA-N	408.252	4.594	50	20	HJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1	775732364	DCSLQFSBOACURW-RXEMRJGZSA-N	405.242	4.665	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3ccc4ccccc4n3)cs2)cc1	777467630	FMEODOLEXNTTSH-UHFFFAOYSA-N	404.495	4.904	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ncccc2-c2ccccc2)c1C	780027573	JKDMFDBHXSYTEO-QWQBBLJPSA-N	414.509	4.920	50	20	HJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(Br)c1	780343221	HFRVPSKWRBAWRP-UHFFFAOYSA-N	410.293	4.616	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1cnc2ccccc2n1	790228639	RBVKISVZKRXNNU-CPNJWEJPSA-N	400.445	4.942	50	20	HJGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1	792353745	XCSHCOMNWANXJI-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	792587007	LUUKTJIKVVEPPY-RBUKOAKNSA-N	424.035	4.763	50	20	HJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl	794868761	BFRMYIXUVIVTPP-XFXZXTDPSA-N	401.228	4.864	50	20	HJGD	
CC(C)c1ccoc1C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	806375571	AIFCEVDWFMZLMU-UHFFFAOYSA-N	405.829	4.707	50	20	HJGD	
C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	806402424	UZZWGJWZRHJJRQ-TZMCWYRMSA-N	415.428	4.671	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CCSc2cccc(Cl)c2)cc1	808390129	OKCNSIGAFRLYEN-UHFFFAOYSA-N	423.991	4.627	50	20	HJGD	
Cc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	849205936	SRZGSLZWLRPSHT-GFIJVFARSA-N	407.514	4.547	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NNc2ccc(C)cc2)cc1	849512293	BVGHZYIQEKKRJG-UHFFFAOYSA-N	412.493	4.542	50	20	HJGD	
Cc1nccn1CCCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	916676898	ISXJOMGYGIPWPD-AWEZNQCLSA-N	406.861	4.623	50	20	HJGD	
CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918270488	SBTKLWRQRXDWMR-QFSBIZTOSA-N	422.900	4.929	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1	920033420	ZXVPOIAVRPAMEM-JTQLQIEISA-N	419.230	4.967	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1cc(F)c(Cl)cc1Cl	1116094699	WCXLIJIBQZUNFU-VIFPVBQESA-N	400.285	4.607	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(-c3nc4ccccc4s3)s2)nn1	1251948920	NAJBXNRMPWOHKU-UHFFFAOYSA-N	409.540	4.869	50	20	HJGD	
COc1cc(Cl)c(Br)cc1C(=O)NNc1cccc(C(F)(F)F)c1	1255816122	VMMTVYIPUBDECN-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC)nc3)cc2)CCC1	1787254356	AGUWYNSIZOLVJG-HXUWFJFHSA-N	413.949	4.799	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1	1820592104	QPOHLTPMQAALSH-HKUYNNGSSA-N	416.953	4.856	50	20	HJGD	
CCCCC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1	1822001886	HCXCBTDGVYYORL-DOTOQJQBSA-N	410.990	4.883	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)CC1	1825439528	QOOOZQOCIZZXCC-MOPGFXCFSA-N	422.013	4.563	50	20	HJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1OC	72067713	AHPWEZCGSNUVRW-PDGQHHTCSA-N	402.450	4.801	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)NNc2cccc(C(F)(F)F)c2)cc1	97119120	PMSGDZFHDPKXLX-UHFFFAOYSA-N	409.408	4.738	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)Cc2cccc(Br)c2)cc1	195683247	AGIITWUCBZQXCD-PWDRBQJJSA-N	413.315	4.502	50	20	HJGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1	212050495	QJHXTCZZPSKGDR-UYRXBGFRSA-N	401.441	4.982	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCCCCc1cccs1	303403135	PIYCJKSUAYSDEQ-UHFFFAOYSA-N	413.568	4.744	50	20	HJGD	
C[C@H](NC(=S)NNC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1Cl	727172087	CPOLYMABUPNIPQ-JTQLQIEISA-N	408.310	4.610	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)c3ccc4ccccc4c3)cc2)oc1C	727839948	RGTAHRUMVRHGDD-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NNC(=O)c1c(Cl)cccc1Cl	727843100	RURIUVOIHOGYBR-ZDUSSCGKSA-N	408.329	4.694	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)c1C	728485342	VUMWRROWOIVXOM-PDGQHHTCSA-N	421.526	4.588	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)cc(C#N)n1C	729360828	WJJWIEDJHXCBPP-LPYMAVHISA-N	417.472	4.966	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)c1OC(F)F	730436941	NSMJYWTUZORONL-JXMROGBWSA-N	414.227	4.910	50	20	HJGD	
O=S(=O)(N[C@@H](Cc1ccccc1)c1cccs1)c1ccc(CCCl)cc1	735082927	QVEIVPCLEFUFPX-IBGZPJMESA-N	405.972	4.792	50	20	HJGD	
C[C@@](O)(CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccsc1	741056566	HLMCYTFHMLIAMZ-DZGCQCFKSA-N	424.897	4.997	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(/C#N)c3nc4c(C)ccnc4[nH]3)cc2)oc1C(=O)O	741470974	VVNNAAJMGBXIOC-YBEGLDIGSA-N	414.421	4.509	50	20	HJGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1c(F)cc(F)cc1Br	741980015	PZZIRLICUTWKOU-UHFFFAOYSA-N	404.280	4.547	50	20	HJGD	
CC(C)=CCOc1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	743297947	ZWGRVTBSMDUQFV-UHFFFAOYSA-N	409.364	4.716	50	20	HJGD	
COc1ccc(F)cc1[C@@H](C)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743540267	PVCKYRWRGFGPPC-OAHLLOKOSA-N	422.460	4.598	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3nnc(CC)o3)c2)c1C	743785438	XGYPRBJBPLSXRL-UNOMPAQXSA-N	403.486	4.673	50	20	HJGD	
CCc1nnc(-c2ccc(NC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)cc2)o1	743806026	DFLODYILNGDGJW-UDWIEESQSA-N	417.513	4.919	50	20	HJGD	
O=C(NNc1ccccc1Br)c1ccccc1CSC1=NCCS1	748068258	LSBFHLQQUKWDPA-UHFFFAOYSA-N	422.373	4.542	50	20	HJGD	
Cc1cccc(-c2cncc(C(=O)NNc3ccc(F)cc3Br)c2)c1	748077049	ZDWMVDOBCHQKET-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
O=C(CSCc1cccc(Cl)c1)NNc1ccc(OCC(F)(F)F)cc1	748703538	LGKXDJVVQMIQDM-UHFFFAOYSA-N	404.841	4.658	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cnc(Cc2ccccc2)s1	748754423	ROMFFCUFPPFWMG-UHFFFAOYSA-N	402.317	4.562	50	20	HJGD	
CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752989169	AGHUVJKWOGNNPG-AWEZNQCLSA-N	417.444	4.822	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C	754565669	FGMWKHBGXPDHPP-RUFMNPDLSA-N	409.505	4.598	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2ccc(F)cc2F)c1C	760158490	JWVPCFSICNBUDM-ZXMBATIKSA-N	400.425	4.515	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1cccc(CSc2c(Cl)cccc2Cl)c1	760907632	APRCTIHJMDLXAF-UHFFFAOYSA-N	423.300	4.972	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	768693405	UWLHDTHXZNGHGB-SFHVURJKSA-N	419.378	4.617	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1Cl	774806823	SIQVNIVATGMHRN-UHFFFAOYSA-N	408.232	4.644	50	20	HJGD	
CC(=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C1CCSCC1	777421574	XDIXLZZKOANBEK-UHFFFAOYSA-N	404.539	4.788	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1sc(Cc2ccc(F)cc2)nc1C	777478850	LAUJXAKKJYEYAW-UHFFFAOYSA-N	406.486	4.795	50	20	HJGD	
O=C(O)c1cc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)ccc1O	777635466	GVVYMBYFFXDZJC-UHFFFAOYSA-N	419.349	4.549	50	20	HJGD	
Cc1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c(N(C)C)n1	777677303	RUKJQXDTEZVNKL-UHFFFAOYSA-N	417.425	4.914	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC([C@@H]2CCOC2)CC1	778064129	UCBRSAMVEFREOL-CYBMUJFWSA-N	421.453	4.781	50	20	HJGD	
COCc1nc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)cs1	781866999	XEFBYCGWHAPRSO-VXLYETTFSA-N	421.522	4.656	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)c1ccc(Cl)cc1F	782890413	YFYUDQIQUARFQG-BJMVGYQFSA-N	405.191	4.642	50	20	HJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)C(=O)NCc3cccc(Cl)c3)cs2)cc1	786056101	LZXNGUFJMLGWJQ-YVLHZVERSA-N	423.925	4.907	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(OC(F)F)cc1	793711280	YWIRTSBFTXFTDT-UHFFFAOYSA-N	407.804	4.916	50	20	HJGD	
N#C/C(=C/c1ncc(I)s1)c1nc2cc(F)ccc2s1	794706172	FFXSNOMZQVMIOJ-CLTKARDFSA-N	413.240	4.561	50	20	HJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1	794874667	MYSQMVGWQIYMLV-LFIBNONCSA-N	411.454	4.566	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1	799760476	ILMDORNYIGUFPH-UHFFFAOYSA-N	411.509	4.621	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc3c(s2)CSCC3)c(C)n1CC(C)C	804361132	GXJWULJVKSCGBF-PXNMLYILSA-N	400.573	4.552	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c(C)c1OC	806554402	SIVOKNJAGVQVPK-SXGWCWSVSA-N	406.404	4.783	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cccc2cccc(Br)c12	806903263	GNRIKIHZPDDVGE-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1sc2ccccc2c1Br	810428231	UJBXVQGNEAGINM-UHFFFAOYSA-N	416.222	4.835	50	20	HJGD	
COc1ccc(NNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)nc1	857490834	SELRSNYAZDKZSE-UHFFFAOYSA-N	404.253	4.946	50	20	HJGD	
O=C(COc1cc(Cl)c(Cl)cc1Cl)NNc1cc(C(F)(F)F)ccn1	857513459	DIMCEVPDYYDIOF-UHFFFAOYSA-N	414.598	4.583	50	20	HJGD	
CCCN(Cc1ccc(F)cc1)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	914505993	KEZYGKYPRDLALP-MNOULKQQSA-N	411.521	4.797	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1C	914768155	UEIUIRNCEOMFAU-HNIBHBHRSA-N	418.497	4.877	50	20	HJGD	
N#CCOc1cccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1	915942844	KWBMVJGBWLKUFL-UHFFFAOYSA-N	424.435	4.707	50	20	HJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	916735753	GAZKKLLPCGBDFQ-UHFFFAOYSA-N	421.305	4.805	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)c2ccc(Br)cn2)c1C	917694556	CIRRZCRHRMSJGM-BOPFTXTBSA-N	415.335	4.633	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc2c(OC(F)(F)F)cccc2[nH]1	1253411793	OUOBPBAMURHGKS-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc2c(OC(F)(F)F)cccc2[nH]1	1317943032	XROINQIUSHVVKU-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
Cc1ccc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C(C)(C)CCl)sc2c1	1792883924	KDTLJIDPQHHLCT-BJWYYQGGSA-N	418.990	4.727	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1	1830304921	FZDPSRAACAYEAH-LSDHHAIUSA-N	417.402	4.652	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1	1830314327	DWNSJKBDMJNUGT-NCUFTRPVSA-N	409.014	4.594	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC(F)F)c1	16411298	KGIHDSVXBKBDCS-NTUHNPAUSA-N	422.815	4.813	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)c1C	25734767	QGDBEDNFEDFDER-YRXLECQKSA-N	421.541	4.999	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1OCC(=O)N(C(C)C)C(C)C	96663125	LFHILWWEJPWIJE-UNOMPAQXSA-N	414.546	4.632	50	20	HJGD	
O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)NNC(=O)c1ccccc1F	105742549	BRIQFYJRODOENR-ZRDIBKRKSA-N	400.862	4.682	50	20	HJGD	
CC(C)(C)c1ccc(CCCCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1	726932189	XRCRETGNUYSKTD-UHFFFAOYSA-N	405.542	4.568	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(C2SCCS2)cc1	727794951	YHXREGAJEVRUCE-UHFFFAOYSA-N	413.351	4.547	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)NCc1ccccc1-c1ccc(Cl)cc1	727844385	OJEYRRLKSNGNAZ-UHFFFAOYSA-N	421.928	4.860	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)c2cccnc2)c(C)n1CC(C)C	728493739	ZXOHMXJQKPSDCT-RVEICJNFSA-N	412.537	4.969	50	20	HJGD	
CCOc1ccc2cc(C(=O)NNc3ccc(Br)cc3Cl)[nH]c2c1	729276502	FSTRWRRQLWBKRD-UHFFFAOYSA-N	408.683	4.739	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2)C2CCC2)c1C	729657986	SARMCAMWYCCKRQ-RHLNHKFBSA-N	405.542	4.877	50	20	HJGD	
Cc1ccc(CCNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cn1	732417493	VHYNYBRZLQQLQW-OAHLLOKOSA-N	403.857	4.974	50	20	HJGD	
C[C@@H]1CCC[C@H](N2CCC(=NNC(=O)c3ccc(COc4ccccc4)o3)CC2)C1	733744821	SESOZLTWBMFGQK-QUCCMNQESA-N	409.530	4.619	50	20	HJGD	
CC[C@@H](CC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1	734257985	AJQLNTQQPDFUMQ-AWEZNQCLSA-N	415.419	4.584	50	20	HJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2csc(N(C(C)=O)C3CC3)n2)cc1	734306692	QCMHZMXIPPTVAW-ATVHPVEESA-N	408.527	4.547	50	20	HJGD	
O=S(=O)(N[C@H](Cc1ccccc1)c1cccs1)c1ccc(CCCl)cc1	735082928	QVEIVPCLEFUFPX-LJQANCHMSA-N	405.972	4.792	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1ccccc1Nc1cccc(C(F)(F)F)c1	735688778	UACNEYDJQZNXQS-UHFFFAOYSA-N	407.783	4.649	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](COCc3ccccc3)C2)c(C)n1CC(C)C	742017788	JQYKZFUXUWRMBE-ABBHQSEISA-N	419.569	4.733	50	20	HJGD	
Cc1nc(NCC(=O)NNc2ccccc2Cl)c2cc(-c3ccccc3)sc2n1	748301305	BKQPTFKXOXPBFM-UHFFFAOYSA-N	423.929	4.875	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C	748548678	FLPNJCRTZPBLNR-UHFFFAOYSA-N	401.438	4.652	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C	748572107	WIOOKVKFDHHPDI-UHFFFAOYSA-N	401.825	4.698	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cccc3cnccc23)cnn1-c1ccc(Cl)cc1	748754765	YXMVFAGWLNNAMZ-UHFFFAOYSA-N	405.889	4.954	50	20	HJGD	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1	752303605	WBVJBDOQDHDJCW-FTJBHMTQSA-N	414.489	4.772	50	20	HJGD	
CC(C)Oc1cc(Br)ccc1C(=O)NNc1ccc(C#N)c(Cl)c1	753303494	WUEDSDTVRMQFSO-UHFFFAOYSA-N	408.683	4.518	50	20	HJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	756135216	DWFAXTFSNDOLRH-OWBHPGMISA-N	403.935	4.548	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	756772454	IOZYHPQFYBSXDR-QLFBSQMISA-N	419.451	4.607	50	20	HJGD	
O=C(NN=c1cc[nH]cc1Cl)c1sc(-c2ccccc2)nc1-c1ccccc1	757417530	GHMACZZVCYBKMK-UHFFFAOYSA-N	406.898	4.704	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNc3nc(O)c4ccccc4n3)c(F)c2)cc1C	758300206	PZYDIKHTLCJDRJ-UHFFFAOYSA-N	402.429	4.515	50	20	HJGD	
O=S(=O)(NCCC[C@H]1CCCCO1)c1ccc(S(F)(F)(F)(F)F)cc1	760616577	MJPISLVCBCCOGK-GFCCVEGCSA-N	409.442	4.972	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(C2SCCS2)cc1	761585161	RUDXTBXUXXUIBZ-UHFFFAOYSA-N	400.447	4.821	50	20	HJGD	
O=C(NCCCCN1CCC[C@H]1CO)Nc1cccc(S(F)(F)(F)(F)F)c1	762966363	PRKIJCUVAAAVBF-AWEZNQCLSA-N	417.444	4.702	50	20	HJGD	
Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)[C@H](Br)C(C)(C)C)c(Cl)c1	766748812	BKEGPGPCYQXSBA-FZMZJTMJSA-N	404.732	4.637	50	20	HJGD	
C[C@H](CCC1CC1)NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	769281077	CWQHMXHIDLRVQY-HWPZZCPQSA-N	408.873	4.539	50	20	HJGD	
CCc1noc(-c2ccc(C)c(NC(=O)NNc3ccc(OC(F)(F)F)cc3)c2)n1	770057402	NAEXQKGCONAXOX-UHFFFAOYSA-N	421.379	4.655	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(/C#N)c2cc(SC)ncn2)cc1OC	773176443	MIPHLVSSXOMFSI-MLPAPPSSSA-N	420.332	4.823	50	20	HJGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2c(Cl)cc(Br)cc2Cl)CCO1	779921262	BEBQSHVIPXWZJT-GXSJLCMTSA-N	410.139	4.794	50	20	HJGD	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)NNc1ncncc1Cl	782030808	XPVRUTLGSUTKFU-UHFFFAOYSA-N	417.828	4.527	50	20	HJGD	
Cc1cc(NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)nn1CCC#N	782700386	VFTQQTOFVVDKNY-CQSZACIVSA-N	417.844	4.969	50	20	HJGD	
Cc1ccncc1/C=C/C(=O)NNc1c(Cl)cc(Br)cc1Cl	784048937	HNAONVSMFYSZEW-NSCUHMNNSA-N	401.091	4.616	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc3cccc(C)c3nc2Cl)cc1	787155539	SJLJELREQUDVKJ-IYSPOMMRSA-N	405.885	4.990	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(F)F)cc1	787182440	HRNQKQUGKJXKHU-DGGAMASNSA-N	406.816	4.734	50	20	HJGD	
CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccnc(O)c1	790281570	JGYYUBFHDNBQEX-UHFFFAOYSA-N	416.868	4.810	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)c1	790809153	UDNQWHQEFNYZKL-UHFFFAOYSA-N	409.339	4.573	50	20	HJGD	
COCCCC[C@@H](NC(=O)NNC(=O)Nc1ccc(C)cc1Cl)c1ccccc1	792285114	XCBKLHRZUCIKFG-GOSISDBHSA-N	418.925	4.542	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	797399206	VHMXNFPVHWJIND-UVTDQMKNSA-N	415.346	4.829	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2ccccc2c(O)n1	817014327	CGHNYPSTMJXYMP-UHFFFAOYSA-N	415.293	4.735	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(-c3ccc(F)cc3)no2)c1C	915376647	UQSOCVWZONAMPI-ODLFYWEKSA-N	407.445	4.959	50	20	HJGD	
CC(C)CCNC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	915880139	OZDKTBGKYQNLOP-UHFFFAOYSA-N	405.951	4.622	50	20	HJGD	
CCCc1noc2nc(C3CC3)cc(C(=O)NNc3ccc(Br)cc3)c12	918320086	OUVYMHMQPIHSIS-UHFFFAOYSA-N	415.291	4.572	50	20	HJGD	
O=C(CCOc1cc(Cl)ccc1Cl)NNC(=O)c1c(Cl)cccc1Cl	1318211585	NMJCLZZQHGDCNP-UHFFFAOYSA-N	422.095	4.530	50	20	HJGD	
Cc1cc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)[C@H](F)Cl)CCC4)cc3)cc2s1	1790879528	IMBLWDBWPRFIOJ-KRWDZBQOSA-N	419.909	4.820	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1	1824616050	IKOQPNLRKYPLIN-FGZHOGPDSA-N	419.009	4.944	50	20	HJGD	
Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	7633992	SLDYFSIKJCVXAK-XLKWYTADSA-N	421.541	4.855	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=S)Nc1cc(Cl)cc(Cl)c1	15150812	CNFUKLMLWLAXEW-UHFFFAOYSA-N	420.774	4.757	50	20	HJGD	
N#C/C(=C\c1ccc(SC(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)OCCO2	17699697	LWPFEMQAOYQULM-UKTHLTGXSA-N	406.385	4.615	50	20	HJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1OC	206876149	YPWAHCZLNUTTNS-NTEUORMPSA-N	420.387	4.667	50	20	HJGD	
CC(C)NC(=O)NNC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	730215363	YBOFCNBGPSIPSI-INIZCTEOSA-N	412.342	4.566	50	20	HJGD	
O=C(NN=Cc1ccnc2ccccc12)c1cn(-c2ccccc2)nc1-c1ccccc1	731315082	VCNIXJCRLLREKJ-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
Cc1cc(OCc2ccccc2)ccc1NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	735274418	ZESUZTIHRLBJJL-CIAFOILYSA-N	410.477	4.638	50	20	HJGD	
CC(=NNC(=O)COc1ccccc1-c1ccccc1)c1cnc2ccsc2c1	739399980	LESJCYGQNJQZTJ-UHFFFAOYSA-N	401.491	4.883	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(Oc2cccc(Cl)c2Cl)nn1	742042044	HOFMOGQONOSPTH-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
COc1cc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)ccc1OC(C)C	743805879	VKXBYNSUMVGTNI-UHFFFAOYSA-N	419.481	4.616	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1	746249918	LOXWDCIIMLHECP-UHFFFAOYSA-N	408.999	4.513	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)NCc2ccc(Sc3ccccc3)cc2)cc(C#N)n1C	747443378	GAABBFVHKZZLPW-NDENLUEZSA-N	412.518	4.580	50	20	HJGD	
N#Cc1cccc(OCc2ccoc2C(=O)NNc2ccc(C(F)(F)F)cc2)c1	747609455	UJGNZMREGRCOOJ-UHFFFAOYSA-N	401.344	4.506	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(OC(F)F)cc3)c3c(C)noc3n2)cc1	748661232	NLJQYOFFBNNSIP-UHFFFAOYSA-N	424.407	4.865	50	20	HJGD	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1cc(F)c(F)cc1F	750241264	DOEZOCJUXYIAGT-SECBINFHSA-N	411.836	4.929	50	20	HJGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)c[nH]1	753131376	CCKDDWZKMQLHJN-NVMNQCDNSA-N	421.884	4.711	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](CCO)c2ccccc2)c(C)n1C1CCCCC1	755854977	MPWARFYYNJCPMF-OLCUMFGGSA-N	419.569	4.800	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(OC)c(O)c2Br)cc1	761015884	RSPBVPJCSWJNNC-WJDWOHSUSA-N	400.272	4.906	50	20	HJGD	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NNc2ncnc3ccsc23)c1	766680531	KWJUEXLNPSVTTE-UHFFFAOYSA-N	421.869	4.766	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	768121686	ZCGZJEKFKWVPSJ-UHFFFAOYSA-N	401.394	4.781	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccccc1NCc1cccnc1	768549881	ZPTFDGWFOAQFKL-UHFFFAOYSA-N	405.260	4.897	50	20	HJGD	
O=C(NNc1ccccc1F)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	769977315	ZYAPANFKUFZZSV-UHFFFAOYSA-N	404.873	4.690	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CC=C(c2ccc3c(c2)OCCO3)CC1	771330537	ZFNRRVHBRLMTGX-SFHVURJKSA-N	405.585	4.788	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)c(C)c1	771590285	MLRCNURJQSXSIN-UHFFFAOYSA-N	412.446	4.654	50	20	HJGD	
CSCC[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773292454	FRMVUBRVDGKVCQ-SNVBAGLBSA-N	406.442	4.883	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cnc2c(C)cc(Br)cn12	783698245	YTMSEJRQPIJWPH-NVNXTCNLSA-N	409.287	4.568	50	20	HJGD	
CCCOc1ccc(CN(CCC)C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1OC	786993520	NGLKKAIFMTZBMX-XSFVSMFZSA-N	408.498	4.535	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1	787432082	KQXWUZNQIKTZHQ-OJHVLRHSSA-N	406.844	4.997	50	20	HJGD	
C[C@@]1(C(=O)O)CCCC[C@@H]1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790620530	QWOHFEGKFJXJSK-GXTWGEPZSA-N	423.425	4.656	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ncc(Cl)cc2Cl)c1C(C)C	790908453	HQEYBVABQWHXTN-UHFFFAOYSA-N	404.301	4.763	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C(F)F	791446657	YCYIHCLTNXDSSF-UHFFFAOYSA-N	412.889	4.685	50	20	HJGD	
COc1cccc(NC(=O)[C@@H](OC(=O)/C(C#N)=C\c2ccccc2)c2ccccc2)c1	793070936	FKLPSMMIDFCPKO-WNPPMXKSSA-N	412.445	4.525	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)[C@H]2CCCOC2)cc1	794883346	KSDIYCKCQSMESL-MQXJPVLKSA-N	411.505	4.810	50	20	HJGD	
CCc1c(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cnn1C1CCCC1	802037757	SDORZXFPVPSEKC-UHFFFAOYSA-N	417.513	4.694	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cccc(Cl)c1F	804211793	WPCZNCJUFIWVMS-UHFFFAOYSA-N	410.758	4.712	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1sc2ccc(C#N)cc2c1C	815855630	BNKBKOCGQJVEAU-UHFFFAOYSA-N	400.301	4.909	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1	817015281	VCNDCDVYUZANOS-UHFFFAOYSA-N	402.216	4.898	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1[nH]c(-c2ccccc2)nc1C	915111749	MPQNBQVHPMCDHR-UHFFFAOYSA-N	414.465	4.711	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc(C2SCCCS2)cc1	917196557	YLJVHQFYGPNVEM-UHFFFAOYSA-N	422.575	4.712	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1	920023282	ZFVMFASVWJDLRZ-BUBBNXEVSA-N	408.464	4.563	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1ccc(C(F)(F)F)cc1	920036758	JJTWKMSQZBQURT-HNNXBMFYSA-N	414.427	4.742	50	20	HJGD	
CCCOc1ccc(COC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	920142051	NWLDJAHBBQCXHP-IGSWSUAKSA-N	422.525	4.723	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1csc(Cc2ccc(Cl)cc2)n1	1252045429	OEAIEMCOACZVMQ-UHFFFAOYSA-N	412.824	4.558	50	20	HJGD	
O=C(NN=Cc1ccc(-c2nc3ccccc3s2)o1)c1cncn1-c1ccccc1	1317691908	KXXOQXRDQDRXHQ-UHFFFAOYSA-N	413.462	4.506	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C(=O)OC)c2ccccc2Cl)c1C	1317755770	DCGXLVMYSWEVFT-KEWOFRHOSA-N	414.889	4.533	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)n1	1318925125	YVORPIIMOMQEOL-UHFFFAOYSA-N	423.835	4.656	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)c2nnc(-c3ccc(OC(C)C)c(OC)c3)o2)cc1	1326498618	OTATTWSCVKFFIX-PDGQHHTCSA-N	405.454	4.995	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1	1824619174	SLZKKKFILPBWIE-ZIBCJSCZSA-N	411.030	4.840	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2C)CC1	1825780712	IJNUQDAJMHSIPG-MSOLQXFVSA-N	411.011	4.697	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CC)c2ccccc2)CC1	1830305500	RPLZPNDXTDFAHI-BHIFYINESA-N	419.009	4.817	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)c1C	10403003	ZSPZGHCHVHUTJA-YODDIOPGSA-N	420.538	4.982	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccc(NC(=O)C(F)(F)F)c2)c(C)c1	11292432	AFEDUQVCGAOHJQ-CXUHLZMHSA-N	401.388	4.658	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(C(F)(F)F)nc1O	21970861	RTWNBEBCCKNDAX-UHFFFAOYSA-N	400.571	4.523	50	20	HJGD	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	109430889	BZLPGKMIRCNWPZ-KGLIPLIRSA-N	411.527	4.667	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1	141962276	ZMDGFXHDJQHBAA-UEIJICEPSA-N	418.472	4.503	50	20	HJGD	
C[C@@H](NC(=S)NNC(=O)Nc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl	726484872	JXCVKXUTARUUTN-MRVPVSSYSA-N	419.284	4.533	50	20	HJGD	
Cc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccccc2Br)c1	728787620	PYGZGAIPOWOBSN-GDNBJRDFSA-N	407.271	4.693	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)ccc1Oc1cccnc1	732804553	PJJKZYIABBHJOK-QGOAFFKASA-N	421.464	4.757	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)[C@H](Sc1ccccc1Cl)c1ccccc1	735688804	WJLGTZOJOLRPGJ-QGZVFWFLSA-N	405.310	4.760	50	20	HJGD	
CCN(c1ccccc1)c1ccc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cc1	742118593	NZWRBVSFNHJINJ-HYARGMPZSA-N	423.520	4.587	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ccc(C#N)cc2)cc1C	748115025	RRWPAZLFUAKSQA-UHFFFAOYSA-N	421.504	4.844	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cn1)c1ccccc1	748730008	GFWVKRYPWNIRFQ-ZDUSSCGKSA-N	412.833	4.540	50	20	HJGD	
COC(=O)N1CCC[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752972172	GXVJLIBBLGEOOR-LLVKDONJSA-N	403.373	4.696	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(Cn2ccnn2)CC1	752982080	LHIPWGUQSIXUSW-UHFFFAOYSA-N	411.400	4.880	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)cc1F	755182595	MMXQBMLWGKVVIS-UHFFFAOYSA-N	408.330	4.506	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Br)cc2Cl)cnn1CCC(C)C	756874468	FDUPNFCOTJHIPC-UHFFFAOYSA-N	413.747	4.664	50	20	HJGD	
O=C(NCc1nnc(-c2ccccc2)s1)NN(Cc1ccccc1)c1ccccc1	760193091	SAXYVHKPLUQBGA-UHFFFAOYSA-N	415.522	4.626	50	20	HJGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccnc2cc(Cl)ccc12	763499898	HDRJYLFFTUYWSD-UHFFFAOYSA-N	402.863	4.665	50	20	HJGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)c1ccc([N+](=O)[O-])cc1Br	765613527	NICZAMQPLXQJCQ-YFHOEESVSA-N	403.623	4.723	50	20	HJGD	
N#C/C(=C/c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1F	773155182	SGBQKJGKCUMVAS-YHYXMXQVSA-N	409.598	4.940	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)nn1-c1ccc(Cl)cc1Cl	776481852	MJRATJHVBKRNIM-UHFFFAOYSA-N	415.202	4.662	50	20	HJGD	
CCn1c(NNC(=O)c2cc(C)ccc2SC2CCCC2)nc2ccccc2c1=O	776702013	GODTUZSTBXPKNY-UHFFFAOYSA-N	422.554	4.516	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)c(C)cc2c1	778478960	LGIBSJMZNZSZID-UHFFFAOYSA-N	415.449	4.771	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)C(=O)Nc1c(Cl)cccc1Cl	780149178	XQJZURQPDGDYJQ-NVNXTCNLSA-N	415.255	4.923	50	20	HJGD	
N#CC1=CCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)CC1	780687755	KHNSONKYKYZUNK-UHFFFAOYSA-N	418.678	4.586	50	20	HJGD	
CC(C)[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1F	781805714	FQGKHWWIGBVBKD-SFHVURJKSA-N	403.841	4.567	50	20	HJGD	
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782821573	OCEHIGGFRIKDAF-UHFFFAOYSA-N	417.513	4.505	50	20	HJGD	
C/C(C=NNC(=O)c1ccc(Br)cc1Cl)=C\c1cccc([N+](=O)[O-])c1	787154260	IZWINXHTJGENEG-BQQGYQEUSA-N	422.666	4.830	50	20	HJGD	
N#C/C(=C\c1ccc(OCC2CC2)cc1)c1nc(O)c2cc(Br)ccc2n1	790101516	ZGRBDKWISNSGAF-OQLLNIDSSA-N	422.282	4.951	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2F)C2CC2)c1C	790276485	RXDJVMXQNPEDOM-RHLNUJDMSA-N	409.505	4.550	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(C(F)F)c2)c1C	791761168	DRQKXJLDYAGPMC-RKQRPNFGSA-N	402.441	4.900	50	20	HJGD	
CCc1ccc([C@@H]2CN(CCP(=O)(c3ccccc3)c3ccccc3)CCO2)cc1	792362517	JPZSFQFJEMUGKG-SANMLTNESA-N	419.505	4.636	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cc2ccccc2nc1N1CCCCC1	794782581	RRVXTOAPYQRMIF-UHFFFAOYSA-N	422.916	4.651	50	20	HJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=C3CCC[C@@H](c4ncccc4C)C3)sc2n1	799106935	QRPALLKYKOAJFN-OAHLLOKOSA-N	407.543	4.642	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1cccc(-c2ccccc2)c1	806983688	BTIXRVWYGIYJQB-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
CCCCn1nccc1NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	807469887	LBSHGWSHYKUBQZ-UHFFFAOYSA-N	412.384	4.918	50	20	HJGD	
O=C(NCc1ncc(-c2ccccc2)o1)NNc1ccc(Br)cc1Cl	812005274	DOPOYBTWFBKGME-UHFFFAOYSA-N	421.682	4.584	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cs1	812242085	MPDAIHARIRYARL-DHDCSXOGSA-N	405.439	4.504	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(CNC(=O)c2cccs2)cc1	812768906	MJQGYNQXDDBDBV-UHFFFAOYSA-N	407.539	4.867	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1	812769421	GJEHTVQBGWJATD-UHFFFAOYSA-N	423.538	4.676	50	20	HJGD	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)CC(Cl)Cl	816629643	VMERXDDNEWRRGS-UHFFFAOYSA-N	405.734	4.838	50	20	HJGD	
CCOc1nc(C)ccc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014557	NTQFPPMGNJUMBV-UHFFFAOYSA-N	407.314	4.583	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC=C(c3ccc(C)cc3)CC2)c1C	843537266	MRSJAMYPQMOFIK-FXONECCMSA-N	417.553	4.844	50	20	HJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	916128923	KFVHKVZOCFOQKA-LCYFTJDESA-N	410.842	4.917	50	20	HJGD	
Nc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1	916264335	MBLPMXGSDGTAOT-UHFFFAOYSA-N	415.884	4.539	50	20	HJGD	
COc1cccc2cc(C=NNC(=O)COc3ccccc3-c3ccccc3)oc12	916295240	PHMQHFBZBUAONF-UHFFFAOYSA-N	400.434	4.638	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)c1cc2c(s1)CCC2	916315655	YPNLNKAWUWCVKN-UHFFFAOYSA-N	419.337	4.802	50	20	HJGD	
COc1cc(C(C)=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)ccc1O	916357996	XBCZKNUSIQBTOR-UHFFFAOYSA-N	415.902	4.519	50	20	HJGD	
COc1cc(C)c([C@@H](C)NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1OC	916483868	SCTPUPCZXNIEEY-LJQANCHMSA-N	419.525	4.994	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1	917790245	CKMOESTWLPJVKK-MOSHPQCFSA-N	406.486	4.742	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(CNC(=O)c3cccs3)o2)c(C)n1CCC(C)C	1257931068	PHWVZKZPKXCAHM-WQRHYEAKSA-N	423.542	4.590	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)/C(=C/c1ccc(F)cc1)c1cccs1	1317720424	ZIFJEASIVUJOIF-FOWTUZBSSA-N	400.862	4.542	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nn1	1340600254	JYEXSYTYJAQPIC-UHFFFAOYSA-N	423.498	4.590	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OC[C@@H]2CCCC(F)(F)C2)c(C)n1C[C@H]1CCCO1	1345728863	BMSZPMYNGYLFLV-SIMNFHIRSA-N	406.473	4.560	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)C(F)(F)c3ccco3)CCC2)cc1	1786012673	NTQLTLGSJCVKFA-UHFFFAOYSA-N	424.875	4.771	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3sc(C)nc3C)CCC2)cc1	1786443293	DUVJFQMSPUYIFY-QGZVFWFLSA-N	419.978	4.915	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3sc(C)nc3C)cc2)CCC1	1787336747	GYCWGFJCFNJTSG-MRXNPFEDSA-N	405.951	4.525	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1	1787625212	OPUMEBMEMVZGLQ-OAHLLOKOSA-N	421.379	4.732	50	20	HJGD	
Cc1cc(F)c(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)c1	1790799583	BIXKRYVPQZRIMA-KRWDZBQOSA-N	410.823	4.555	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3C3CC3)CC2)C1	1806163899	QQXNSACMGNEJKR-NRFANRHFSA-N	416.993	4.816	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C(C)C)CCC2)CC1	1832488442	UQLGRRHLQAIKDO-PMACEKPBSA-N	411.030	4.840	50	20	HJGD	
C[C@H](Sc1cccc(Br)c1)C(=O)C(C#N)=C1Nc2ccccc2N1	105518213	ZSZVAZGKMWIONY-NSHDSACASA-N	400.301	4.772	50	20	HJGD	
Cc1cc(OC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)ccc1[N+](=O)[O-]	105555069	VWYYREPTMYDGCD-UHFFFAOYSA-N	424.413	4.571	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc3c(s2)CCCCC3)c(C)n1C[C@@H]1CCCO1	217919410	CQUWZRVKIYVNNZ-OVCORXIESA-N	424.570	4.555	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(SCc2cccnc2)cc1	303538343	JAJBXTVNTAJKBK-UHFFFAOYSA-N	400.935	4.678	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(-c2cccc(Br)c2)o1	725802789	IAKXYWIHAMUVBZ-UHFFFAOYSA-N	422.282	4.883	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	727785061	BHFWKTHJGZZMOC-ROUUACIJSA-N	413.304	4.640	50	20	HJGD	
COc1ccc2cc(/C=C\C(=O)NNC(=O)c3c(Cl)cccc3Cl)ccc2c1	727793358	FAQXRSIQMCFLNY-POHAHGRESA-N	415.276	4.630	50	20	HJGD	
O=C(CCCCCc1ccc(O)cc1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	729282879	FQCJSEXCMBEDAT-UHFFFAOYSA-N	411.380	4.565	50	20	HJGD	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1)O[C@H](C)C2	730588408	XZWVRZXMBCLUHV-PZPSRYQVSA-N	420.431	4.674	50	20	HJGD	
Cc1cc(NNC(=O)c2cnn(-c3ccccc3)c2C2CC2)ccc1Br	734252863	CDFMZTQGEQBSMK-UHFFFAOYSA-N	411.303	4.578	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)c(OCC(=O)O)c1	734482940	GZJUJHVFGQQOIF-MFOYZWKCSA-N	406.463	4.655	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc1	734815433	NAWDUDKOQLGJCR-PGLNOLGZSA-N	410.539	4.678	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1	735698053	IQHJHFYCLJDQQQ-UHFFFAOYSA-N	408.383	4.714	50	20	HJGD	
CSC1(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)CCOCC1	741977948	OIBQIRZYPOOVEH-ZHZULCJRSA-N	415.603	4.546	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1C(F)(F)F	746895265	CONZXAFHUUWIAZ-UHFFFAOYSA-N	406.751	4.642	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)OC(C)(C)C	748710858	IDJYRFQVHFCUTD-UHFFFAOYSA-N	420.853	4.661	50	20	HJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2)s1)C(=O)N1CCn2c1nc1ccccc12	750891790	ANLBBNSPQGTXQV-DTQAZKPQSA-N	414.465	4.858	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cc(C(F)(F)F)ccc2Cl)o1	753695770	ADBATIQJWTWPQZ-UHFFFAOYSA-N	401.816	4.558	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNc1cccnc1Cl	754477837	MMQKWZYXOMXICI-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)c1cc(-c2ccc(F)cc2)c(C)s1	755638783	HZBSMGYAPXFVQD-UHFFFAOYSA-N	415.515	4.503	50	20	HJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3nc(C(F)(F)F)cs3)c2)cc1	755860519	XSOTXOWNGVIQGX-UHFFFAOYSA-N	403.389	4.534	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3cccnc3)ns2)c(C)n1CCC(C)C	756731321	RRBNCQDNRJKFAE-ODLFYWEKSA-N	420.542	4.610	50	20	HJGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	758923016	UNSGWMWLRKWPOA-UHFFFAOYSA-N	412.170	4.702	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1Cc2cccc(O)c2C1	759483705	RUTRRSRDRBVMCP-BZNIZROVSA-N	416.852	4.900	50	20	HJGD	
Cn1cnc2cc(/C=C(\C#N)C(=O)Nc3nc(-c4ccccc4Cl)cs3)ccc21	761202899	ZBUGKKUSDJWWJQ-RIYZIHGNSA-N	419.897	4.896	50	20	HJGD	
O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1cccc(S(F)(F)(F)(F)F)c1	762604423	GPJBTFWXPNNVHN-UHFFFAOYSA-N	416.318	4.991	50	20	HJGD	
CCCC[C@H](COC)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762657888	KJGCKHJHBVQKMC-GFCCVEGCSA-N	404.401	4.604	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	767887543	KBRVBOSKXNQROP-UNOMPAQXSA-N	416.408	4.649	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	768732426	SZOUXXCYTHQKNO-SFHVURJKSA-N	419.378	4.617	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccc(OCC(F)(F)F)cc1	769943574	UMHVBJRJOOBBAI-UHFFFAOYSA-N	409.286	4.675	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)c3cccc(F)c3)c2)cc1	772179441	PSFLBBUFZNMQGL-UNOMPAQXSA-N	400.409	4.876	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccc(Cl)c2S(=O)(=O)CC)cc1	774116536	SZSDSSFMVZFITC-AQTBWJFISA-N	401.915	4.876	50	20	HJGD	
CCCn1cc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)ccc1=O	777612079	DLIBJGDSBYIWTD-UHFFFAOYSA-N	418.409	4.717	50	20	HJGD	
COCC[C@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccco1	778062304	NJEIVDYCPRCVHB-ZDUSSCGKSA-N	421.409	4.993	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2cc(Cl)ccn2)c1	778451351	JGKXJHSAUROZOR-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
O=C(NNC(=O)N[C@@H](CC1CCC1)c1ccccc1)Nc1ccc(OC(F)F)cc1	779382427	SMACLWSVZOKHRP-SFHVURJKSA-N	418.444	4.555	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)ccc1C(F)(F)F	782821241	IGIKKWDLKPMHNN-UHFFFAOYSA-N	413.399	4.822	50	20	HJGD	
O=C(O)c1cc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)ccc1O	782912942	LYJYHBPTTDOEIP-UHFFFAOYSA-N	419.349	4.549	50	20	HJGD	
Cc1ccc(C(N)=O)cc1OS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981667	DUMLRWRMZAUFFB-UHFFFAOYSA-N	417.377	4.519	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2ccccc2OCc2cccc(Cl)c2)c1	783366915	XQJNWTNLDBQFCU-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
COc1ccc([C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)c2ccccc2Cl)cc1	787383033	ZIJHJHOBCRKQAH-JRTNDBBKSA-N	418.880	4.867	50	20	HJGD	
COc1cc(NNC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)ccc1Cl	790175442	IPRRPWDEGDVXOK-UHFFFAOYSA-N	422.710	4.587	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ccccc2OC(F)(F)F)c1C(C)C	790929083	NOROXFZLXPKWFA-UHFFFAOYSA-N	418.419	4.960	50	20	HJGD	
CCOC(=O)c1scnc1/C=C(\C#N)C(=O)Nc1ccccc1Oc1ccccc1	794931912	ROOBNNIYGXAHQI-NTCAYCPXSA-N	419.462	4.658	50	20	HJGD	
CCCN(NC(=O)c1cc(-c2ccccn2)nc2ccccc12)C(=O)OC(C)(C)C	804591369	KWLKKTHBQGETBS-UHFFFAOYSA-N	406.486	4.589	50	20	HJGD	
O=C(NCc1ccccc1Sc1ccccc1)NNc1ccc2c(=O)[nH]ccc2c1	806754894	DWRORSZBJNTFRI-UHFFFAOYSA-N	416.506	4.506	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCC(F)F	809146137	MLGAHGDVHFRLQD-IUXPMGMMSA-N	401.409	4.754	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1C(F)(F)F	810466689	IWPBRYVHNCNJRG-UHFFFAOYSA-N	409.236	4.631	50	20	HJGD	
COc1ccc(CC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F	817014041	OVHYWSAYXKZBEQ-UHFFFAOYSA-N	410.289	4.558	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccn2)c(C)n1-c1ccc(Cl)cc1	864491005	VYPREKXPQBEAPB-CXDFQFJYSA-N	404.901	4.927	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)cc1	913229415	YZVXDCMQRIXABV-KQWNVCNZSA-N	422.484	4.909	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H](c1ccc(F)cc1)C1CCCC1	916646917	VSDXVSLKGNESNN-XBESXDPPSA-N	413.537	4.604	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1	1318177243	NTRVCPJAQIQJMW-MRXNPFEDSA-N	413.827	4.700	50	20	HJGD	
Cc1nc(-c2ccc([C@@H](C)NC(=O)NNc3ccc(C(C)(C)C)nn3)cc2)cs1	1318938597	HOXKGELSDLYHKR-CYBMUJFWSA-N	410.547	4.593	50	20	HJGD	
N#CCOc1ccc(NC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	1324898346	RGIQBHNPHCOISC-UHFFFAOYSA-N	418.297	4.775	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ncc(C)s3)cc2)CCC1	1787214189	PYUVQHDFZCNPEM-INIZCTEOSA-N	405.951	4.607	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3)CCC2)cc1	1790484578	QPCGJHVLLHSYLO-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)C(C)C)C2)CC1	1805624029	YGXMKUFVNSXHGS-RTWAWAEBSA-N	419.009	4.675	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C)c(C)c3)CC2)C1	1806162819	BQBQGIGCTANGCA-FQEVSTJZSA-N	404.982	4.556	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)cc2F)[nH]n1	1815322036	KGPLTSNNFIEPHW-CRAIPNDOSA-N	420.916	4.571	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2)CC1	1824011226	QCQQHHWCFJAGDT-VIOKTNGOSA-N	416.993	4.585	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1	1824870374	BUZVYXZRCBRFFD-SJORKVTESA-N	424.935	4.746	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)Cc2coc3ccc4ccccc4c23)c1C	6253153	XJXJPHVFMJHHQV-UHFFFAOYSA-N	403.507	4.763	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cs1	7157313	ZOWTTZMZEQUUFQ-CXDFQFJYSA-N	416.506	4.612	50	20	HJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC)c(OCCCC#N)c2)c1C	64367387	JRFHAUSBHOSZEO-ZHZULCJRSA-N	405.498	4.996	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccccc2)s1)C(=O)Nc1ccc(N2CCOCC2)cc1	215235814	VGULMOPIQYLBCA-MNDPQUGUSA-N	415.518	4.797	50	20	HJGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792899	WLGCOVYFTMJULI-VIFPVBQESA-N	403.718	4.589	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(-c2ccc(F)cc2)s1	727793378	GHFAOVJMAGTFDD-UHFFFAOYSA-N	409.269	4.936	50	20	HJGD	
CC[C@@H](C)n1ncc2c(C(=O)NNc3ccnc4cc(Cl)ccc34)cc(C)nc21	729515122	VSDXQFQVFWSNFS-CYBMUJFWSA-N	408.893	4.669	50	20	HJGD	
COc1cccc(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1O	729552081	BFMABAKIRGTNDU-HNNXBMFYSA-N	420.840	4.942	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)C2CCC2)c1C	729657983	SARMCAMWYCCKRQ-BVOHSUFGSA-N	405.542	4.877	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1)c1ccccc1F	729944447	OAMRJALRGNVYHK-IBGZPJMESA-N	414.889	4.774	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1	731149351	VXTSFKROYHBXPK-UHFFFAOYSA-N	423.948	4.829	50	20	HJGD	
Cn1c2ccccc2c2cc(C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)sc21	732976751	WJQOQVQAYFVKFX-UHFFFAOYSA-N	423.885	4.853	50	20	HJGD	
COc1ccc2[nH]cc(CCNC(=O)NN(Cc3ccccc3)c3ccccc3)c2c1	733650228	KVNHWRXBVLDDTJ-UHFFFAOYSA-N	414.509	4.640	50	20	HJGD	
Cc1ccc2nc(COc3ccc(C(=O)NNc4ccc(Cl)c(F)c4)cc3)cn2c1	746696303	XEUKMGKKKZCAGK-UHFFFAOYSA-N	424.863	4.771	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NNc1ccc(Cl)c(F)c1	746700918	QRNHSWKHDOPVRI-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)C[C@@H](c1ccccc1)C(F)(F)F	748751350	UYJYIRCNZUBNRC-AWEZNQCLSA-N	401.226	4.937	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)ccc1OCC(F)(F)F	750893100	ONLSZQFWKJZFHO-OQLLNIDSSA-N	401.344	4.750	50	20	HJGD	
Cc1cccc(NNC(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)c1	751367545	OXEYLUGLETVXOE-UHFFFAOYSA-N	422.529	4.621	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1scc(C)c1Br	754300813	YNCBUMDCFKNACN-UHFFFAOYSA-N	418.154	4.901	50	20	HJGD	
O=C(NC[C@@H]1CSCCS1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	756064806	XAMQLCDIIXFAJJ-BXKDBHETSA-N	416.943	4.876	50	20	HJGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2ccccc2Br)c1	756783756	LUMUUAKHFRGDKW-LCYFTJDESA-N	407.214	4.905	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C(=O)c2ccccc2)c1	762003018	MUQTYMHOUVFUPN-CQSZACIVSA-N	423.856	4.726	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3ccc(F)cc3)n2)cc1OC	767887063	ANLQRVJAJQKJMZ-NTEUORMPSA-N	409.442	4.512	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(Br)c(Cl)c1F	768090107	JGDGVSGEBRLVSK-UHFFFAOYSA-N	409.589	4.600	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(Br)c(Cl)c2F)cc1Cl	768207985	SZVROLCGNKRLGY-UHFFFAOYSA-N	403.038	4.524	50	20	HJGD	
C[C@H](CBr)COC(=O)c1ccccc1NC(=O)OCc1ccccc1	770414915	KUFTXRZZGKWJTC-CQSZACIVSA-N	406.276	4.623	50	20	HJGD	
COC(=O)c1ccoc1CSc1ccccc1C(=O)NNc1c(C)cccc1F	771702419	YMBLJLXYLRHMMO-UHFFFAOYSA-N	414.458	4.563	50	20	HJGD	
C[C@H]1SCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1C	773281847	FARNIOOCCNMLAZ-NXEZZACHSA-N	404.426	4.635	50	20	HJGD	
O=C(NCC[C@@H](O)c1ccccc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773344057	KTYPPARNZPTYLC-OAHLLOKOSA-N	424.391	4.522	50	20	HJGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)ccc1OCC(F)(F)F	774562356	UFMYANWGADNYGJ-VGOFMYFVSA-N	408.332	4.617	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)cc1OCCCC#N	775638389	CQCQXBIITAJLJH-FOWTUZBSSA-N	412.392	4.769	50	20	HJGD	
Cc1sc2ncnc(Sc3ccccc3C(=O)NNc3ccccn3)c2c1C	777530524	CWVKFLFOTKXJGR-UHFFFAOYSA-N	407.524	4.611	50	20	HJGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c([N+](=O)[O-])cc1OCC(F)F	778518043	CJSJWKOCOVOCNA-MKMNVTDBSA-N	419.340	4.528	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1	787551231	QJPQTPWRECIAJA-NSHDSACASA-N	418.752	4.585	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cn1c(C)nc2cc(F)c(F)cc21	796558516	UOUWPXCOTPVCDB-UHFFFAOYSA-N	414.481	4.960	50	20	HJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc3ccccc3nc2N2CCOCC2)s1	797405934	LTCNCOKKSSKIMJ-QGOAFFKASA-N	404.539	4.890	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1cccc2ccccc12)c1csc(-c2cccs2)n1	799945880	XSVVJBVVSHRYJA-UHFFFAOYSA-N	421.547	4.764	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc3occc3c2)c(C)n1C[C@@H]1CCCO1	802852318	UWDLRAUKWNIWOJ-ATEMXAKRSA-N	404.466	4.681	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(F)c(Br)c(Cl)c1	803042025	VIDQLCHINVSROP-UHFFFAOYSA-N	408.658	4.855	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1[nH]ccc1-c1c(Cl)cccc1Cl	803431066	UDUHRYILIHQPFQ-UHFFFAOYSA-N	413.264	4.587	50	20	HJGD	
O=C(CCSc1ccnc2cc(Cl)ccc12)NNc1nccnc1C1CCC1	805468589	RVOVVFAXQYJSGC-UHFFFAOYSA-N	413.934	4.571	50	20	HJGD	
CC(CCCCNC(=O)OC(C)(C)C)=NNC(=O)c1ccc(Cl)cc1Cl	811635170	OAAMGHDEEDTJQR-UHFFFAOYSA-N	402.322	4.794	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(C(C)C)nc2C)c1C	815170013	MSXFJNZVUCVJEA-SXOHWRJOSA-N	409.530	4.790	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc(Br)c2ccccc2c1	816173295	ZWBUERNHXHGCLW-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2ccc3c(c2)CCC(=O)N3)c(C)n1CCC(C)C	876588008	RPFVPQHZQXRHIP-NDENLUEZSA-N	405.498	4.548	50	20	HJGD	
Cc1nn(-c2ccc(C(=O)NNc3cccc(C(F)(F)F)c3)cc2)c(C)c1Cl	912642747	CAYIIZRAUDWKSC-UHFFFAOYSA-N	408.811	4.918	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1C	914536482	YTIXNXJGFQJJIT-NJXRFNICSA-N	419.569	4.784	50	20	HJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc2ccccc2n1	914555172	BDNJPOBHPQWACQ-UHFFFAOYSA-N	417.900	4.961	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1C	916078966	HUTWPMXNMZTAAH-FCKOQQNDSA-N	423.532	4.845	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCN(c3ccccc3)C2)c(C)n1CCC(C)C	918565966	LBUZAUWTNBOPLR-HRXKUDGMSA-N	418.585	4.701	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2c(OC(F)(F)F)cccc2[nH]1	1115986752	YBVYADWTBSVISE-UHFFFAOYSA-N	403.282	4.842	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)c1F	1785946778	YWPYXAUPHJYLMR-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
O=C(Cc1ccc(Cl)s1)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788582207	FUWDUXZSDWPUNI-MRXNPFEDSA-N	415.317	4.613	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cc2cc(F)ccc2[nH]1	1789233073	SITXUDQUQSWCMC-GOSISDBHSA-N	417.843	4.589	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)COc3ccc(C)cc3)CCC2)cc1	1790485477	BTXHPKUSVUYLCB-HXUWFJFHSA-N	414.933	4.525	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Br)cc2)CCC1	1790536682	XSRHLJIBQOASST-IAGOWNOFSA-N	423.326	4.579	50	20	HJGD	
Cc1sc2ncnc(S[C@@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)c2c1C	7124284	QFGUJGPPOAJNFU-LBPRGKRZSA-N	407.524	4.631	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F	217162489	UGIIYGDLZKLAIJ-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNC(=S)N[C@@H](C)c2cccs2)cc1	726437606	GSFOAJZDHYPRKE-HNNXBMFYSA-N	405.589	4.577	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(Cl)c(C(F)(F)F)c2)cc1	727263372	AJKDRPCEGLBXCH-GDNBJRDFSA-N	408.807	4.633	50	20	HJGD	
Cc1noc(C)c1CCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	730508016	XBABHUWUWBOKJO-YBFXNURJSA-N	422.916	4.618	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(N(C)C(C)C)c2)c(C)n1C[C@@H]1CCCO1	731585983	VHFUIWSMHBUDDY-GXPYYPFNSA-N	420.557	4.674	50	20	HJGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c(C)c1	733847498	BLVCOUYRUWNYTI-SFHVURJKSA-N	417.513	4.646	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cccc(C(F)(F)F)n2)cnn1-c1cccc(Cl)c1	740140324	WRHYDAGAQAAEOK-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)c(O)c1	740922518	KANQWLACEZJGQD-UHFFFAOYSA-N	411.380	4.515	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2	743426059	GQQBXHKXIHSJNK-LZGZYFLISA-N	416.949	4.564	50	20	HJGD	
O=C(NNC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F)Nc1ccc(-c2ccccc2)cc1	743616928	PCCWAJZBONNNCS-FXAWDEMLSA-N	422.435	4.524	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1	746682412	MDLKYOLVKXGQNY-LLVKDONJSA-N	412.342	4.513	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cccc(OCc2cccs2)c1	748065992	KTENGKCFRXEMNV-UHFFFAOYSA-N	403.301	4.847	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H](C)NC(=O)C1CCCCC1	748667339	LSEBITYECIAMGR-HNNXBMFYSA-N	401.576	4.798	50	20	HJGD	
COC(=O)c1cc2c(/C=C(\C#N)c3nc(-c4ccncc4)cs3)ccc(OC)c2o1	748998780	SNPHPWQBHFSKMB-OQLLNIDSSA-N	417.446	4.811	50	20	HJGD	
N#C/C(=C/c1cn(-c2cccc(Cl)c2Cl)nn1)c1nc(-c2ccccc2)no1	754685274	MTCKCMRWEMYRQP-LCYFTJDESA-N	409.236	4.688	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)S(=O)(=O)c1cc(Cl)ccc1Cl	755697934	DPVUPNIHVNXSIV-QPEQYQDCSA-N	422.268	4.861	50	20	HJGD	
CC(C)c1ccc(N2Cc3ccc(NC(=O)NNC(=O)CC(C)(C)C)cc3C2)cc1	757889864	CODQXRFEHMSRLH-UHFFFAOYSA-N	408.546	4.919	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)nc(O)n2C1CCCC1	761585169	SJTQOSBDNAOWLD-UHFFFAOYSA-N	420.391	4.513	50	20	HJGD	
N#C/C(=C\c1sccc1Br)C(=O)Nc1ccccc1Br	764883861	CDKZUFLMJMJFCO-VQHVLOKHSA-N	412.106	4.819	50	20	HJGD	
CCn1nc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c2ccccc21	769744287	WIUNZNMIGVCZSS-QBFSEMIESA-N	401.495	4.709	50	20	HJGD	
C[C@H]1C[C@H](CCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	773498077	NZQKXEPUEOABMD-NWDGAFQWSA-N	416.412	4.604	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)c1ccc(OC(F)F)cc1	776260172	ZNMGWNRQFQUHBZ-XDHOZWIPSA-N	407.420	4.940	50	20	HJGD	
COc1ccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	777849344	LEHRTPSERIHMMR-UHFFFAOYSA-N	403.394	4.831	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNc1cc(Cl)ccn1	778452872	COIUMMBRNXRGRY-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2csc([C@@H](C)OC)n2)c1C	782469659	LKUOYUGXCNXOOY-LTKMBJGESA-N	401.532	4.719	50	20	HJGD	
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)NN(c1ccccc1)c1ccccc1	782820621	CYLWHGLDPBJRSL-UHFFFAOYSA-N	400.265	4.801	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1ccccc1SCc1ccccc1	783340348	ZDNYLTYHEGRJMZ-UHFFFAOYSA-N	411.914	4.714	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1	785374569	DUJZDCXARZGHKL-RKPNYOAGSA-N	413.355	4.967	50	20	HJGD	
CCOc1cc(/C=C(/C#N)S(=O)(=O)CC)ccc1OCc1c(F)cccc1Cl	786043008	PMGNINFFMYMWEI-GDNBJRDFSA-N	423.893	4.756	50	20	HJGD	
CCOc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc(OCC)c1OCC	791730379	WRGRTPFVBXWEJU-UHFFFAOYSA-N	413.301	4.946	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)NNc3ncccc3C)ccc2OC(F)F)cc1	792214212	DBHSYOLOSUSLNG-UHFFFAOYSA-N	414.412	4.816	50	20	HJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Br	794945111	FYWQWLMEQNJQPW-XFXZXTDPSA-N	413.206	4.746	50	20	HJGD	
C[C@@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C[C@@H](C2CC2)O1	795208286	HGIZGEDGGSFPSW-YGRLFVJLSA-N	407.426	4.532	50	20	HJGD	
Cc1cccc(-c2cc(Cl)ccc2NC(=O)C(=O)NNc2ccc(F)cc2F)c1	797046366	RSTUBMNQBZAWTF-UHFFFAOYSA-N	415.827	4.675	50	20	HJGD	
O=C(NNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1	801985929	OFNYAJFDMLWWNH-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Nc1cccc2cc[nH]c12	806435994	ODBNYTMZTAAUIU-UHFFFAOYSA-N	412.375	4.792	50	20	HJGD	
COCCC[C@H](CNC(=O)NNc1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1	807410324	WPGPCTGZTJNQGQ-CYBMUJFWSA-N	415.843	4.594	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2noc3c2CCCC3)c(C)n1C1CCCCC1	807736784	HBILRHONXIFCGI-CPNJWEJPSA-N	406.530	4.700	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccc(Oc2cccnc2)cc1	808894337	AFRZVUMZPGVXHL-UHFFFAOYSA-N	404.348	4.921	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCCc2occc2C1	808968287	JXVVPNNGDVNXEF-UHFFFAOYSA-N	410.364	4.851	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccc(Br)c(F)c3)cc2)n1	811139714	HHXWOBYCIMEUNG-UHFFFAOYSA-N	421.295	4.854	50	20	HJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CCCC[C@@H]1CCCO	814761271	SMHCOIUAGHZURX-CYBMUJFWSA-N	405.951	4.699	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ncnc(Cl)c3C(C)C)c(F)c2)cc1	816486947	YJZUNEUUYIOJJK-UHFFFAOYSA-N	414.868	4.825	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](c2ccccc2)C2CC2)c(C)n1C[C@@H]1CCCO1	817089448	HFSPLGRERLESGB-JROAKBERSA-N	417.553	4.501	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1	857493625	GZNVAUPCPIYFAR-UHFFFAOYSA-N	414.512	4.885	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1C	913020454	XROMHDBJYNMBJF-XOYGFPHKSA-N	409.505	4.551	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2c(F)cc(Br)cc2[nH]1	914755053	CTKSDMVRUVEUBV-UHFFFAOYSA-N	416.172	4.845	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1	915197269	QCDJSHANOVWTGD-GXYBQNOFSA-N	401.466	4.540	50	20	HJGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	915904028	LEZZFVYYOBTQSX-UHFFFAOYSA-N	412.493	4.533	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3F)c2C)c1C	915984345	XZXNBNGZFYGFFX-YVLHZVERSA-N	406.436	4.930	50	20	HJGD	
CCCCc1ccc([C@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C(C)C)cc1	916195107	ABCRAWNBLTVVCL-HSZRJFAPSA-N	418.541	4.919	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccccc2C)cc1	916362169	SSHREXVRQSGPBB-UHFFFAOYSA-N	410.477	4.620	50	20	HJGD	
CC(=O)Nc1ccc(S[C@H](C)C(=O)NN(c2ccccc2)c2ccccc2)cc1	917529653	UFDXIPXKCVEIIZ-QGZVFWFLSA-N	405.523	4.995	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)nn1	1255398694	QWPDSYMWAXGKOX-UHFFFAOYSA-N	412.843	4.621	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1ccccc1Cl	1318363276	VBYSRRWGNDOWOZ-LJQANCHMSA-N	414.889	4.774	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](CC)N(CC)CC)cc2)CCC1	1786447687	NKSFVXBUPKPOOT-WOJBJXKFSA-N	422.013	4.648	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccsc3)cc2)CCC1	1787287422	XWQBWLYSPMPTFW-SFHVURJKSA-N	411.354	4.732	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CCC1	1789079092	WCQPXDDJVFURDU-KRWDZBQOSA-N	411.889	4.593	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4c3)CCC2)cc1	1790486610	FNTXQJYDPOAGBM-OAQYLSRUSA-N	421.928	5.000	50	20	HJGD	
CCCc1onc(C)c1C(=O)NC1(c2ccc(NC(=O)[C@H](Cl)CC)cc2)CCC1	1790487269	ZFMFMXLPVJPIIP-QGZVFWFLSA-N	417.937	4.701	50	20	HJGD	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](Br)CC)cc2)CCC1	1791363657	KTRAZMVXLCTTKW-YOEHRIQHSA-N	407.352	4.506	50	20	HJGD	
C[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CC=CCC3)cc2)CCC1	1791994075	LLYPPPQIHIOHBT-FOIQADDNSA-N	419.363	4.650	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1	1827075985	PGYVCZPHNUBIIO-ILXKITPQSA-N	423.022	4.789	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)c1ccccc1F	8201940	YCHQFKHJDNKNEF-DEDYPNTBSA-N	408.436	4.922	50	20	HJGD	
N#C/C(=C/c1ccc(SC(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)OCCO2	209223399	LWPFEMQAOYQULM-LCYFTJDESA-N	406.385	4.615	50	20	HJGD	
COc1cc(C(=O)NN=Cc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC(C)C	727256109	HLHITUPDFQQOAY-UHFFFAOYSA-N	414.811	4.919	50	20	HJGD	
CC(=O)Nc1ccc(C)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	727714484	DXEWPTFKHDBBRB-BKUYFWCQSA-N	406.530	4.964	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNC(=O)c1c(Cl)cccc1Cl	727778972	KJQGCLIKQXVZQF-UHFFFAOYSA-N	405.260	4.699	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc(Br)cc2Cl)ccc1SC	728782589	OXPAXDZEPAZJRO-UHFFFAOYSA-N	413.724	4.597	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1csc2ccccc12	730030316	MLPHKVKFTLNMFH-HNNXBMFYSA-N	403.507	4.689	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1ccc(Br)s1)O[C@H](C)C2	730435839	DBCNZOBSCAWTJA-YRVKEHPISA-N	404.285	4.632	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c(C)n1C[C@@H]1CCCO1	734355479	NOGNFMDAYXEFGH-QFBYACMOSA-N	417.553	4.596	50	20	HJGD	
Cc1ccn2cc(-c3ccc(NC(=O)c4c(C)nn(CCCl)c4C)cc3)nc2c1	734769518	BCQIYHTUGINCIS-UHFFFAOYSA-N	407.905	4.614	50	20	HJGD	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	737803304	RDBYIHVEMRKTTB-SNVBAGLBSA-N	401.772	4.589	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2ccc(F)cc2F)c(-c2ccc(F)cc2F)n1	743337221	VNNQEKPUMMFJDV-UHFFFAOYSA-N	406.383	4.618	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C3CCCCC3)[nH]n2)c(C)n1C[C@@H]1CCCO1	743454363	HTHSKUHCRJOSKX-HNLWVNFGSA-N	421.545	4.600	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C	748561552	TWHNYWRRYSWSEV-UHFFFAOYSA-N	421.398	4.614	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1	748562561	JDFPUQWHPPNTGN-UHFFFAOYSA-N	408.458	4.573	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccc(NC(=O)c2ccncc2)cc1	749226892	CVCCKUYHUMMLMU-IBGZPJMESA-N	415.584	4.664	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(c3ncc[nH]3)CC2)c(C)n1C1CCCCC1	751411419	LKQCQTGRTUEIPN-RCCKNPSSSA-N	405.546	4.646	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1ccc(C)c(NC(C)=O)c1C	752529387	POPWKHOYXUGKGB-UHFFFAOYSA-N	419.323	4.735	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cnn1C1CCCC1	752633876	DPTZLNACJYDZCL-UHFFFAOYSA-N	410.440	4.649	50	20	HJGD	
O=S(=O)(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(CCCCl)cc1	755982401	XUNIAVMWOPQVNP-UHFFFAOYSA-N	417.918	4.586	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)Nc1cccc(COC2CCCCC2)c1	756244298	IYMSQZDGTTWOIC-UHFFFAOYSA-N	409.530	4.712	50	20	HJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccccc1Oc1ccccc1)OCO2	758817393	ZCTHEZYZYUGEMN-GZTJUZNOSA-N	414.417	4.762	50	20	HJGD	
C=CCN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1	762980248	OFCMRJFORVAOTJ-GFCCVEGCSA-N	420.425	4.551	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	765155230	NSXJOESSFQKHMN-UHFFFAOYSA-N	402.838	4.565	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	768226965	BXTWAYWJCNOLAU-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2oc3ccccc3c2COc2ccccc2)c1	768700598	DRAQGMFJUKVHBB-UHFFFAOYSA-N	418.840	4.689	50	20	HJGD	
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NNc2ccccc2Cl)C1	769949561	SENULIJOPRGWPC-GJZGRUSLSA-N	400.910	4.607	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1[N+](=O)[O-]	770567526	DZMGEPOWUDDNMA-GHRIWEEISA-N	415.405	4.941	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)o1	772347091	WWALEZUWOJEGLK-UHFFFAOYSA-N	404.850	4.607	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(C(F)(F)F)cc2)ccc1-c1ccccc1	773763994	YWZUZMPJTKGUDD-UHFFFAOYSA-N	413.399	4.763	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	775598605	GTJWOAIVDHHYRI-UHFFFAOYSA-N	417.856	4.811	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(c3ccsc3)CC2)c(C)n1C[C@@H]1CCCO1	777085432	GKSFHJJZVKZSAD-YQZDYSOMSA-N	423.582	4.659	50	20	HJGD	
Cc1ccc(Cc2nc(C(=O)NNc3ccccc3OC(F)(F)F)cs2)cc1	779204052	OFAWXUVNFYPYQR-UHFFFAOYSA-N	407.417	4.698	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cccc(Cl)c1OCC	779798745	NRCWQYZFUNQYNS-XNTDXEJSSA-N	400.862	4.650	50	20	HJGD	
Cc1cc2cc[nH]c2cc1NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	781540640	ZLWFQTXCBIWBCI-MOSHPQCFSA-N	420.476	4.799	50	20	HJGD	
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NNc1c(Cl)cccc1Cl	786351711	UYGOVTAAOIZYIR-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cnc(-c3ccc(C)cc3)s2)cc1	787181650	BGMNUDBOFZSGHW-PUMYGXPMSA-N	403.507	4.912	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccc(I)c2)c(C)c1	789126967	JHIJGMFRXZYZNV-CXUHLZMHSA-N	416.262	4.762	50	20	HJGD	
CCOc1c(Cl)cc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1Cl	790524822	AZVRBZGCSRVGGR-UHFFFAOYSA-N	403.197	4.588	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@H](F)c1ccc(C(F)(F)F)cc1	801929295	KHZBOGALQFTYCW-CQSZACIVSA-N	410.289	4.800	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(C(F)(F)F)cc(Cl)n1	810721002	RVVAMJAKIFOCOT-UHFFFAOYSA-N	401.669	4.669	50	20	HJGD	
CSc1ccc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1	814696033	XXVZTTFPLXUGKI-UHFFFAOYSA-N	404.520	4.844	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)c1C	819020906	UTSBJRDMRWZYPX-ZHZULCJRSA-N	404.514	4.576	50	20	HJGD	
CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)[C@H](Br)C(C)(C)C)C1	819475143	HFSUFZUIVYPTQN-KDOFPFPSSA-N	406.368	4.572	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2C)c1C	855899950	YJJSAPPMWFMBCA-ALFKQNEGSA-N	421.541	4.999	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1	857546345	VHLSNGMEWVCZSH-UHFFFAOYSA-N	424.332	4.770	50	20	HJGD	
O=C(NNc1ccccc1)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1	868075943	AYRIIVHVALAWEW-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
COCc1ccccc1CNC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	914508100	VLIVFNONCFVNKB-OEAKJJBVSA-N	405.542	4.980	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3C)cs2)c1C	915176877	RHHUARWAWOWDPL-UNOMPAQXSA-N	420.538	4.729	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1ccccc1O)c1ccc(C2CCCCC2)cc1	916201953	NCPHIDVRMMIKBQ-JOCHJYFZSA-N	409.530	4.781	50	20	HJGD	
O=C(NN=Cc1c(F)cccc1F)c1ccc(COc2ccc(Cl)cc2)cc1	916307094	QSZAVNCHJGKANG-UHFFFAOYSA-N	400.812	4.961	50	20	HJGD	
CC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1ccc(OCC#N)cc1	916357633	BNZYQDDJGBOZTJ-UHFFFAOYSA-N	424.913	4.707	50	20	HJGD	
N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2cc(F)ccc12	917621843	YNLMASFHJHHUGJ-UVTDQMKNSA-N	400.369	4.796	50	20	HJGD	
O=C(NN=Cc1c(OC(F)F)ccc2ccccc12)c1ccc(Br)cc1	1317718436	WYXWMOBFXLBFIG-UHFFFAOYSA-N	419.225	4.968	50	20	HJGD	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CO[Si](C)(C)C)CCC2)cc1	1786103408	VKKHREBZGVFIQW-UHFFFAOYSA-N	414.622	4.740	50	20	HJGD	
C[C@]1(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Br)cc3)CCC2)CC=CCC1	1790537464	PSHYWQHFURNEMF-LPHOPBHVSA-N	423.326	4.557	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(O)c3)cc2)CCC1	1791334571	PPDZFMKDHMZYNM-BESKYLIDSA-N	412.917	4.557	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1	1793471373	LDBWLWTVPZGDTO-KOUNCHBCSA-N	421.025	4.788	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1814695247	RYENMQGQNDVFOB-KRWDZBQOSA-N	408.974	4.637	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](CC)c2ccccc2)[nH]n1	1820852563	CEDGWDRUIUKAMY-ZIFCJYIRSA-N	416.953	4.613	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1	5177815	NXGXHXZNPAUJJB-JPOGYNCRSA-N	414.461	4.716	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c2Cl)cc1	16410081	WXZXRGYSFLWXCG-RSZPVBOMSA-N	418.928	4.986	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)c1	23042658	WZXLCXICTVMJGL-RVDMUPIBSA-N	405.435	4.878	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccccc1F	207816105	LONSHLPFWVPTKQ-MOSHPQCFSA-N	423.451	4.678	50	20	HJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	211684759	BDPDZNNPNZHCHQ-AYCSXLNKSA-N	409.442	4.671	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(c2ccccc2)c2nc(C)cs2)c1C	302891469	GYQKKGIKZWUGSL-MOSHPQCFSA-N	420.538	4.788	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(Oc2ccccc2)cc1	725868948	GPFAUQCJEWGHOL-MRXNPFEDSA-N	414.465	4.665	50	20	HJGD	
COc1ccc(Br)cc1C=NNC(=O)c1c(Cl)cccc1Cl	727781537	PHVVWNGIKWBVKG-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NNc1cccc(Cl)c1	728172516	YISBJTZFUFCZQR-UHFFFAOYSA-N	404.253	4.904	50	20	HJGD	
CC(C)COc1cn(-c2ccccc2)nc1C(=O)NNc1ccccc1C(F)(F)F	730736893	RWNWTXCNXGSBPR-UHFFFAOYSA-N	418.419	4.683	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCCOc1ccc(Br)cc1	731167797	JUEWQORHXIRBJR-UHFFFAOYSA-N	424.247	4.521	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1cc(C(F)(F)F)ccc1F	733200935	FMUCPDKQIVOWHG-UHFFFAOYSA-N	413.421	4.697	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(Cl)nc(Cl)c2)c1C	733378675	SFIQZENPRFOMNN-KCXFFNSDSA-N	422.312	4.665	50	20	HJGD	
N#Cc1ccccc1COc1cccc(C(=O)NNc2nccc3sccc23)c1	734247198	YCXDEUVWQRXZTP-UHFFFAOYSA-N	400.463	4.504	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)cc1OCc1ccccc1	734305368	RRBZYOAVROZQLD-OEAKJJBVSA-N	412.489	4.806	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1	740764489	WVEILUVCIAPYAL-WOJGMQOQSA-N	420.900	4.756	50	20	HJGD	
Cc1c(NC(=O)NN(Cc2ccccc2)c2ccccc2)cccc1N1CCOC1=O	743246486	ZWGPPYTWURFNOP-UHFFFAOYSA-N	416.481	4.695	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3ccnc4cc(Cl)ccc34)s2)cc1	743296672	JGGCUGNJIACSDP-UHFFFAOYSA-N	410.886	4.777	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1occc1COc1ccccc1	748748203	GOLAIUCKZJUKNQ-UHFFFAOYSA-N	401.260	4.686	50	20	HJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNC(=O)NCc3ccc(Cl)cc3)c2c1	752522025	ZBIBEXZUSKSTJY-UHFFFAOYSA-N	422.916	4.527	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ncoc1-c1cccc(C(F)(F)F)c1	752636652	NKAQLLYVGQXHAK-UHFFFAOYSA-N	401.266	4.535	50	20	HJGD	
COc1ccccc1SCC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1C	755740924	QMYSOSKLVABGQA-UHFFFAOYSA-N	421.522	4.616	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3cc(F)c(F)c(F)c3)c(C(C)(C)C)n2)cc1	759096250	YOXIYVCGIFLBAT-UHFFFAOYSA-N	402.420	4.652	50	20	HJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	761391950	JIHRHXUQWVMXAF-WZUFQYTHSA-N	415.660	4.996	50	20	HJGD	
N#Cc1cccnc1NCCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762978082	CBTRAQLTJYSSLX-UHFFFAOYSA-N	407.368	4.844	50	20	HJGD	
CSc1cc(/C(C#N)=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)ncn1	773175036	CBCWZMBMEXCPJY-OVCLIPMQSA-N	407.524	4.712	50	20	HJGD	
O=C(CS[C@H]1CCCOC1)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	779828367	MJXXBDYQXMGCLJ-IBGZPJMESA-N	422.472	4.985	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1	784877861	GCCRKLKZGVQIIJ-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
CCOc1cccc(/C=C(\C#N)C(=O)N[C@H](CC)c2ccccc2)c1OC(F)F	787141470	NQIJUVPONJHSOR-VJSYINPZSA-N	400.425	4.861	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1csc(-c2ccc(OC)cc2)n1)c1ccccc1	787145441	RBSGYDKCGHTUPV-DILWRCETSA-N	403.507	4.993	50	20	HJGD	
O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NNc1cc(Cl)cc(Cl)c1	791731507	QPDKPLJULONBKP-UHFFFAOYSA-N	404.084	4.634	50	20	HJGD	
C[C@H]1CCSCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	792464430	MUWUKDGNCNKIGZ-JTQLQIEISA-N	404.426	4.637	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1	793893665	XEIGTWLTTFRUCT-IAGOWNOFSA-N	404.352	4.940	50	20	HJGD	
Cc1cc(C(=O)NNc2ncc(Cl)cc2Cl)cc(Cl)c1Br	803119330	YMTQKCJHAISZJH-UHFFFAOYSA-N	409.498	4.870	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c(F)cc1F	804208235	CXDAYLGIWPWDOP-UHFFFAOYSA-N	408.330	4.506	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1	857496050	KBTFMFLUNCIELC-UHFFFAOYSA-N	422.432	4.984	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccccc2OCc2cccnc2)c1	915939898	VXCGGEDUORCAGL-UHFFFAOYSA-N	417.509	4.622	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)cc1	916240117	VIGRQRIHZBWALY-UHFFFAOYSA-N	411.461	4.738	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c(C)n1CC(C)C	916466836	KPRFGBYSPMVNKG-QYAMMSNYSA-N	421.541	4.864	50	20	HJGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	918233633	JTOGYUAUICZWRP-SFHVURJKSA-N	424.504	4.915	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(OC(F)F)cc2)c1C	918505747	XUKHMTUSOYBJAD-RPJLVFAOSA-N	418.440	4.564	50	20	HJGD	
O=C(NN=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1Cl	1318442571	RSTPBMMBQQVQFR-UHFFFAOYSA-N	413.792	4.944	50	20	HJGD	
COc1cc(C)c(C)cc1C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788589018	SDURFJMXCLFLBY-LJQANCHMSA-N	418.896	4.594	50	20	HJGD	
Cc1cc(F)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c1	1830503768	JNTGVCBCVIADJS-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2ccc(F)c(F)c2)c1C	14675417	CIJYLLBCHPXCBJ-ZNBBLSJYSA-N	400.425	4.515	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1NC(=O)c1ccco1	45481154	PUISOJARQHMKGX-UHFFFAOYSA-N	403.360	4.616	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccccc1C(=O)c1ccccc1	727171313	AHJSBPNLOHVTEU-UHFFFAOYSA-N	417.534	4.672	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	727174181	OKALHNHYJZTIAQ-UHFFFAOYSA-N	414.512	4.564	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1csc(-c2cccs2)n1	728428327	VAOYOYHARPLYRY-AWEZNQCLSA-N	407.520	4.942	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCCCC#N)c(C)n1-c1cccc(C(F)(F)F)c1	728850408	QNEAGVLZQQTGOV-PDGQHHTCSA-N	414.431	4.830	50	20	HJGD	
COc1ccccc1OCc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)o1	729514430	CVDUSZUXHLKWHT-UHFFFAOYSA-N	423.856	4.826	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ncc(-c3cccc(Br)c3)[nH]2)c1	731937708	KSMKVBKCTQGKRF-GDNBJRDFSA-N	408.255	4.638	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Oc2ccncc2)c(Cl)c1	733951249	BYORMNPEPRTCIG-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2nc(C(F)(F)F)cs2)c1C	740838516	OFPPRFXINIYQKF-OVCLIPMQSA-N	410.465	4.604	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl	742035204	CCBPOKVIWDQICW-KBPBESRZSA-N	418.107	4.865	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C(F)(F)F	742517093	ZQRXPUHBHSVRSV-NSHDSACASA-N	421.806	4.515	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1)c1ccc(Br)s1	743298735	CERURGVWNDPHPD-QMMMGPOBSA-N	404.127	4.520	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NNc2ccc(OC(F)F)cc2)c1C	748643881	RCSHJVBHOOSXLX-SFQUDFHCSA-N	402.445	4.557	50	20	HJGD	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1cc(F)c(F)cc1F	750241265	DOEZOCJUXYIAGT-VIFPVBQESA-N	411.836	4.929	50	20	HJGD	
Cn1c(C(=O)NNc2cccc(Cl)c2)ccc1-c1ccc(Br)cc1	751315574	OYRQMFCMRSIAIO-UHFFFAOYSA-N	404.695	4.865	50	20	HJGD	
C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)NNc3cccnn3)c2C1	753090472	JPQUZPUACVNKGT-DOMQTXCISA-N	421.504	4.905	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1csc(-c2ccc(O)cc2)n1	753178939	XAZJFJSXDHVLJU-UHFFFAOYSA-N	418.316	4.598	50	20	HJGD	
N#Cc1ccc(NNC(=O)CCC(=O)c2cc(Cl)sc2Cl)cc1Cl	753314081	YTWXGBULIJTVDO-UHFFFAOYSA-N	402.690	4.686	50	20	HJGD	
CC(C)(CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCOCC1	753926368	ZWHKGTPUVHYDGW-UHFFFAOYSA-N	403.417	4.576	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)Nc1cccc(COCc2ccco2)c1	755968672	AZJBHFMRGJSCPP-UHFFFAOYSA-N	415.449	4.616	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(NC(=O)NNC(=O)c2cc3ccccc3o2)cc1	756203103	CTHKLJDMNVXFMU-UHFFFAOYSA-N	412.405	4.563	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccccc2C(C)(C)C#N)c1C	767975680	JNEUHCJJFKUAFR-FNLSEGDXSA-N	419.525	4.764	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccco1	768008717	CUMUVVLTEJCEFO-UHFFFAOYSA-N	414.245	4.796	50	20	HJGD	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NNc2ccccc2C(F)(F)F)c1	770031588	DZDNOVIJXNLJSM-NDEPHWFRSA-N	413.465	4.901	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cn(Cc2ccccc2)nc1-c1cccnc1	770190218	CHMUUGZRXKNUDQ-UHFFFAOYSA-N	421.863	4.543	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(Oc2ccc(Cl)nn2)cc1	771152380	GCLWTJKXJFAXCW-UHFFFAOYSA-N	408.220	4.863	50	20	HJGD	
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)NNc1c(F)cccc1Cl	771672544	HDESPBFAGVDIOM-UHFFFAOYSA-N	402.809	4.529	50	20	HJGD	
CC1(C)CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCS1(=O)=O	772355975	DTIJRFROXCEXGI-UHFFFAOYSA-N	422.441	4.775	50	20	HJGD	
CCCCn1ncc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c1C	772457718	MMMLSANSRTXUJM-UHFFFAOYSA-N	419.245	4.530	50	20	HJGD	
Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782821681	VFYOQMHBYAIUQJ-UHFFFAOYSA-N	422.488	4.865	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccccc1NCCC1=CCCCC1	788590592	CFZUZLMRUFMULP-UHFFFAOYSA-N	420.542	4.659	50	20	HJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(Br)c(OC(F)F)c(OC)c1	794875730	YDUJXPZNBSGQAL-WDZFZDKYSA-N	402.235	4.971	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	801648396	YMKRDYWGKIEAML-VGOFMYFVSA-N	412.280	4.737	50	20	HJGD	
O=C(CCc1cc(F)ccc1F)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804207487	RNAFLCXYUXPCDJ-UHFFFAOYSA-N	422.357	4.517	50	20	HJGD	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1ncccc1F	804218354	VIZXVFJWMJIYHC-UHFFFAOYSA-N	409.248	4.892	50	20	HJGD	
CC(C)(C)C[C@@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(Cl)cc1	806852534	AVMWOYXBSVDVAL-LJQANCHMSA-N	412.921	4.985	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)c1	807063690	XWUOSQZGYUHYTD-UHFFFAOYSA-N	410.836	4.584	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)Nc3ccc(Oc4cccnc4)cc3)cc2C1	808897233	CUYDAKNNOZBFOX-CQSZACIVSA-N	422.510	4.527	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc(Br)c1O	810217787	KREQJLKNNSNXSD-AWNIVKPZSA-N	406.663	4.997	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)N[C@@H]1CCO[C@H](c2ccccc2)C1	812198068	VOJFXPGCXXQPRM-PBHICJAKSA-N	424.726	4.649	50	20	HJGD	
Cc1cc(-c2csc(NC(=O)C(=O)NNc3c(C)cccc3C(C)C)n2)c(C)o1	813049872	OQHPYLHDYYZONB-UHFFFAOYSA-N	412.515	4.534	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCC[C@H]3C(C)(C)C#N)cc12	814695491	DYUCGAFOZZSDJX-QGZVFWFLSA-N	405.527	4.831	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1C[C@@]2(CCCO2)[C@H]1C1CC1	815104039	BFLIWKHSNINASJ-CABCVRRESA-N	419.437	4.676	50	20	HJGD	
CC(C)[C@@H](c1ccccc1)S(=O)(=O)NC(=O)CCCC[C@@H]1CCSS1	816108907	QOJGOOZRDZIAOD-AEFFLSMTSA-N	401.619	4.544	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c(C)n1CC(C)C	818122661	WJQPEUDXTBSLRT-UUYOSTAYSA-N	420.557	4.579	50	20	HJGD	
CCOc1cccc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1OC(F)F	916357032	WLKGQLORWDOKKJ-LBPRGKRZSA-N	408.470	4.637	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OCc1cccs1	917565740	PIYZLFMUQZNIMY-UHFFFAOYSA-N	400.887	4.753	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CCc2ccccc2)C(C)C)c(C)n1C[C@@H]1CCCO1	1321589658	JDIIHACIGFYJCU-WWNGRIQCSA-N	419.569	4.671	50	20	HJGD	
Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)[C@@](C)(Cl)CCl)CCC2)cc1	1788692746	VUJGIIKZAACEFZ-IBGZPJMESA-N	409.313	4.572	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cc2sccc2[nH]1	1789368142	VRIZEUHWJGADJL-INIZCTEOSA-N	405.882	4.512	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1	1830305502	RPLZPNDXTDFAHI-FDFHNCONSA-N	419.009	4.817	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccc(NC(=O)c2ccco2)cc1	11146413	MUFMLIPAENTSKP-KRWDZBQOSA-N	404.557	4.862	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(Cl)ccc2Cl)c1C	726388827	IXVRUKSGDUBBRJ-WJHGTXIHSA-N	422.312	4.665	50	20	HJGD	
COCCN(Cc1cccnc1)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	727739971	RWOAMUADDXVKKA-HAHDFKILSA-N	420.557	4.587	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1C[C@H]1c1cccc(Br)c1	729515475	ZWCMFMHVNLSTJF-JKSUJKDBSA-N	416.706	4.898	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(\C#N)C(=O)OC3CCCCC3)cc2)oc1C(=O)O	729987246	ICSDWLPZHNYJBF-SFQUDFHCSA-N	409.438	4.648	50	20	HJGD	
Cn1c(/C(C#N)=C\c2ncc(-c3cccc(Br)c3)[nH]2)nc2ccccc21	731938902	SWLMPKDVAFYJLO-UVTDQMKNSA-N	404.271	4.790	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)N(CC(F)(F)F)C1CC1	732714829	GEKBZCFDVWVEML-YVLHZVERSA-N	418.390	4.865	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ncccc3C(F)(F)F)c3ccccc3n2)o1	740100860	RZFHPARHAAWETL-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OCC2CC2)c(C)n1C[C@@H]1CCCO1	740808737	IYIVAGTWOVZXIB-YRUATGHUSA-N	419.525	4.618	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1-n1cncn1	742429759	YQIHDJLHWKUOLR-ZHZULCJRSA-N	421.460	4.914	50	20	HJGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	743410289	UUNKHGZRIXDJDH-AWEZNQCLSA-N	413.909	4.912	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)N1C2CCCC1CCC2	743957702	PMUBSYWIZRDZTH-MFGLSYLJSA-N	420.884	4.778	50	20	HJGD	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NNc1cccc(C#N)c1	748033491	WJZSADORLDKBQE-UHFFFAOYSA-N	412.449	4.652	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccccc3F)c3cnn(C(C)C)c3n2)s1	748057455	YRRCVGHLMFOUAO-UHFFFAOYSA-N	409.490	4.945	50	20	HJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1	750043969	PNEXGDJYZXREAU-IYJJQHJPSA-N	404.253	4.840	50	20	HJGD	
O=C(NNc1cccnc1Cl)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	754475333	AYLSCUCJRYWCLW-QGZVFWFLSA-N	405.857	4.990	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cccc(OC(C)C)c2)c1C	756053035	LSJDFBSZPXJPLM-QMFLXTPQSA-N	423.557	4.665	50	20	HJGD	
C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)NNC(=O)c3c[nH]c4ccccc34)c2)C1	756257034	KHYMZKZSWHDPKA-APWZRJJASA-N	420.513	4.730	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@]1(O)CCN(Cc2ccccc2)C1	762758625	HPYMRZACXQXPOR-GOSISDBHSA-N	422.419	4.920	50	20	HJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCCC(=O)O)c(OC)c2)cc1	763367184	AEKSZIRCLQMCIS-YZYPPFLQSA-N	422.481	4.608	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	763611354	ZOSKOEJMSWMXCR-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cn(-c2ccccc2)nc1-c1cccnc1	763616593	WEOBRNJLKZEKMI-UHFFFAOYSA-N	424.291	4.998	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1	768143360	ABFKTZBIPAZGGJ-OSPHWJPCSA-N	408.361	4.743	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	775262152	ZPPSHYQKVVQQHR-KGLIPLIRSA-N	418.444	4.903	50	20	HJGD	
COc1c(Br)cc(/C=C(/C#N)C(=O)C2CCCC2)cc1Br	781556209	VERFVVWKYGSMOM-SDQBBNPISA-N	413.109	4.886	50	20	HJGD	
O=C(Nc1cccc(Oc2ccncc2)c1)C(=O)NN(c1ccccc1)c1ccccc1	782821421	RPRQLZPSZUMXCP-UHFFFAOYSA-N	424.460	4.682	50	20	HJGD	
COc1cc(C#N)ccc1OS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978689	BRMLHDSIUKWSRX-UHFFFAOYSA-N	415.361	4.992	50	20	HJGD	
Cc1csc(-c2ccc(NC(=O)C(=O)NNc3cc(Cl)ccc3Cl)cc2)n1	783369714	QYSAUWMONHSKLQ-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
CSc1ccc(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)o1	783465247	LIPSCSDTHSTJFP-UHFFFAOYSA-N	423.406	4.778	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1	786040764	RMRQFAFNGACXPN-LDADJPATSA-N	420.328	4.717	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)ccc1OCCC(C)C	787028581	DLXFXIVMQJAGLK-VJOZSWGJSA-N	408.498	4.610	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1cccc(NC(=O)Nc2ccccc2)c1	790482750	CSOVOEFQVSJWGN-UHFFFAOYSA-N	424.392	4.527	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1-n1cncn1)C(=O)Nc1c(Cl)cccc1Cl	794931469	MKDHAHPRJIIENB-WUXMJOGZSA-N	418.671	4.773	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCN(c3cnccc3C#N)CC2)cc1	795040672	DZWAEJJKQZJKJS-UHFFFAOYSA-N	422.649	4.797	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)c2c(F)cccc2F)c(C)n1C[C@H]1CCCO1	797030038	LLWRUNGMXIEFOI-KHSLMGARSA-N	414.452	4.774	50	20	HJGD	
COCC[C@H]1CCCC1=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	799867709	NJFKGTFNESZYCJ-QGZVFWFLSA-N	400.906	4.841	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1cccc(C(F)(F)F)c1	806684582	WUSAAAKZXDJHBE-GOSISDBHSA-N	418.419	4.570	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(OCCCCl)cc2)c1C	811686232	RKQWUJFFPXWCIZ-SFQUDFHCSA-N	414.889	4.606	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)c(C(F)F)n1	812242544	WUMSCQKQHSZKHX-POHAHGRESA-N	419.844	4.680	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNc2c(C)cccc2C(C)C)c1C	812766169	JUPAEDRIIDHBAN-AGKWGAAGSA-N	408.546	4.794	50	20	HJGD	
O=C(CCc1ccc2ccccc2n1)NNc1ccc(Br)cc1Cl	813495026	LFQZMJYJIFBLBP-UHFFFAOYSA-N	404.695	4.727	50	20	HJGD	
CCOC(=O)CC1(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	821197512	BZGLVHMRBLGTIM-UHFFFAOYSA-N	409.398	4.572	50	20	HJGD	
Cc1noc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	913356931	VHYKRTORSFZJMT-IREQLNLFSA-N	410.861	4.650	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(C)n1C[C@H]1CCCO1	915177168	TVWLUJQIDXBOIR-URKCCMPUSA-N	409.574	4.618	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)CCSc1ccc(F)cc1)c1cccc2ccccc12	915903251	YKFUAKBYCQGFPA-HNNXBMFYSA-N	411.502	4.553	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CC(F)(F)F)cc1	917552151	ZAVKPKVUKZWTKT-UHFFFAOYSA-N	400.404	4.504	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC(C)C)c2)c1C	917701008	PEEABYWHINECSN-UTYYKHSJSA-N	409.530	4.893	50	20	HJGD	
Cc1nc(NS(=O)(=O)c2ccc(CCCl)cc2)sc1Cc1ccccc1	917917376	PTSIFMOLMJESLX-UHFFFAOYSA-N	406.960	4.624	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)Cc1nc(-c2ccccc2)cs1	921258410	FQVTVGABIDPXID-UHFFFAOYSA-N	420.321	4.818	50	20	HJGD	
O=C(CCc1nc2ccccc2s1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	1116937612	FZERAEOINJWFJE-UHFFFAOYSA-N	416.506	4.749	50	20	HJGD	
COc1cccc2cc(CNC(=O)NNc3nc(Cl)c(Cl)cc3Cl)oc12	1318234930	QPTDWQYOWKFBEN-UHFFFAOYSA-N	415.664	4.623	50	20	HJGD	
Cc1cc(Cl)ccc1OCCCc1nnc(/C(C#N)=C\c2cc(C#N)n(C)c2C)o1	1328175001	OSZWASZPHDDKDY-YVLHZVERSA-N	421.888	4.626	50	20	HJGD	
O=C(Cc1ccccc1Cl)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788582989	YSORZFMBMJTOGZ-SFHVURJKSA-N	409.288	4.551	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C)c2Cl)[nH]n1	1820859674	FXNZOTALNKYYQS-ZBFHGGJFSA-N	423.344	4.695	50	20	HJGD	
Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1823924890	KNXIRSBMUJDGCL-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2C)CC1	1829950149	PXYQGPBPGUHUPY-NHCUHLMSSA-N	404.982	4.554	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OC	5474919	DSEYZTRFDOVQFI-OQLLNIDSSA-N	415.287	4.711	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2n1	725411902	VIZAWXXPXRQBJR-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)c1ccc[nH]1	730207413	OYLHWFGGZQZWDX-KRWDZBQOSA-N	420.321	4.616	50	20	HJGD	
O=C(CCc1nc2cc(Cl)ccc2s1)NNc1ccc(Br)cc1	730587022	FYLAKEYFFXVEIO-UHFFFAOYSA-N	410.724	4.788	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)n(-c2ccccn2)n1	730969958	URIJJWWMEOECJK-STZFKDTASA-N	416.529	4.586	50	20	HJGD	
O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NNc1ccc(F)cc1F	733363068	KWLAIPPSILJPEM-UHFFFAOYSA-N	401.360	4.669	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(C)(C)c1c(Cl)cccc1Cl	733933247	XTPVGZDCTRRIIJ-UHFFFAOYSA-N	402.753	4.753	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c(C)n1CCC(C)C	739632025	UATKVLSPTKXYRK-OBVMJLIASA-N	421.541	4.864	50	20	HJGD	
Cc1cc(C)c2cc(C(=O)NNc3c(F)cc(F)cc3Br)sc2n1	741978693	NCUIOBGOJIHZON-UHFFFAOYSA-N	412.259	4.711	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1cccc(F)c1	742070994	GFTKPFBPKLYCBT-VIFPVBQESA-N	405.189	4.854	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@H](c3ccccc3)C(C)C)cc2)cc1	743301064	RHOKHZSXNWESKA-QHCPKHFHSA-N	422.550	4.711	50	20	HJGD	
C[C@H](CC(=O)NNC(=S)Nc1cccc(Cl)c1)c1ccccc1C(F)(F)F	743820001	AXXBNLIRMQKKDV-LLVKDONJSA-N	415.868	4.870	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	744502199	NOFKQBCFMCVSBA-HDAKKWKLSA-N	418.493	4.701	50	20	HJGD	
CC[C@@H](C)C[C@H](C)NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	745888513	OQTWKGCFNFLHLD-SJORKVTESA-N	404.514	4.671	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1[nH]c2ccc(Br)cc2c1Cl	746701649	SVSQNUFDLNCZRG-UHFFFAOYSA-N	418.600	4.758	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc(C(F)(F)F)cc3)s2)cc1	747589384	CIYQXUTWGLQWQM-UHFFFAOYSA-N	407.417	4.903	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cn1)c1ccccc1	747605025	NMVSGJCMCNRLRL-CQSZACIVSA-N	401.388	4.997	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2Cl)o1)NNc1ccc([N+](=O)[O-])cc1Cl	748733178	WEVIJDKCKRIWBH-UHFFFAOYSA-N	421.240	4.633	50	20	HJGD	
N#C/C=C(/c1ccccc1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1	750794463	HVWBAGJQFNBPHJ-JMIUGGIZSA-N	410.315	4.664	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc1	753023163	KNPNUBYVJRNZTM-QGOAFFKASA-N	419.456	4.679	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	755557030	GVGPACFWIPSOBA-UHFFFAOYSA-N	416.459	4.542	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)Nc1cccc(CSc2ccccn2)c1	756301091	QOLLQVFIRFBOQX-UHFFFAOYSA-N	418.478	4.587	50	20	HJGD	
CC(C)(C)C(=O)c1ccc(NC(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1	756865830	LSJZWFFDXGTQBT-UHFFFAOYSA-N	419.934	4.514	50	20	HJGD	
COC(=O)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(Cl)c(F)c1	760081106	QFXUEEZDBZUJBV-WBMJQRKESA-N	405.944	4.524	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1	761376301	MOVBTVLORVLJAW-PNWWAVQQSA-N	414.440	4.814	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)c1	768694739	FDGOMDQRZOOERZ-UHFFFAOYSA-N	417.227	4.948	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NNc1nc2ccccc2s1	769984815	XPZKWUNUKBAGAE-OAHLLOKOSA-N	423.542	4.768	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2cccs2)nc2ccccc12	771591949	HIUDVZBDCRJJGN-UHFFFAOYSA-N	408.414	4.768	50	20	HJGD	
Cc1c(C(=O)NNc2ncc(Cl)cc2Cl)oc2ccc(Br)cc12	775272030	XJAOTSZPLYZVRU-UHFFFAOYSA-N	415.074	4.962	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ncoc1-c1cccc(C(F)(F)F)c1	775273931	WULTUTKFIFHBKQ-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1cccc2c1CN(c1ccccn1)C2	775691613	BCSLKKNMGGUJGC-UHFFFAOYSA-N	413.403	4.769	50	20	HJGD	
O=C(Nc1ccnc(Oc2ccccc2)c1)C(=O)NN(c1ccccc1)c1ccccc1	782822215	SMCBQWKZVCWNEW-UHFFFAOYSA-N	424.460	4.682	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cnn(C)c2C(F)(F)F)c(C)n1C1CCCCC1	782824693	FMNULADFWQPHAO-MHWRWJLKSA-N	419.451	4.908	50	20	HJGD	
CN(CCc1ccccn1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782974687	YEPCAYVYDRAOOQ-UHFFFAOYSA-N	402.410	4.602	50	20	HJGD	
Cc1cc(Cl)c(NC(=O)C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1Cl	785166385	ATDWYDJBYDDUKR-UHFFFAOYSA-N	424.181	4.542	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	787423505	DMZMCAZYFJXLII-UEIJICEPSA-N	403.507	4.951	50	20	HJGD	
CCc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3ncc(CN(C)C)s3)c2C)cc1	794696929	WKODTVQCCMVYSA-XDHOZWIPSA-N	418.566	4.965	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)c1ccc2ncccc2c1	794965354	RAOLUCGKSUNUKS-OQLLNIDSSA-N	420.259	4.912	50	20	HJGD	
CC[C@H]1CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C[C@H](C)S1(=O)=O	805772789	KQALVVBUHYJNKR-PXNSSMCTSA-N	411.684	4.606	50	20	HJGD	
COc1ccc(-c2noc(CCCC(=O)NNc3c(C)cccc3C(C)C)n2)cc1	812767170	FLJKNPHJLHXLQJ-UHFFFAOYSA-N	408.502	4.643	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=CC1=Cc2cc(Cl)cc(Cl)c2OC1	915270983	XXNMXODAQSUTMY-UHFFFAOYSA-N	400.265	4.595	50	20	HJGD	
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cccc(OC)c1	916596760	IDDKQWUCRDPUGO-IQXDWNFHSA-N	406.482	4.686	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H](c1ccc(Cl)cc1)c1ccsc1	1318058698	YDDNTTCKSGYHLG-QGZVFWFLSA-N	420.321	4.789	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)Cc3ccccc3)cc2)CCC1	1787743566	MRUCSBPGKGSZQN-OAQYLSRUSA-N	419.352	4.600	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C	10405563	KDQCCFHUMCYJSP-IREQLNLFSA-N	405.420	4.877	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1oc2ccccc2c1COc1ccccc1	15423206	MICYITLWLSGARK-UHFFFAOYSA-N	403.394	4.677	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc(F)c(Cl)cc1Cl	18052808	VMDLYGVAWOSVPM-NSHDSACASA-N	421.255	4.514	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1	21208901	UVAVSTIPQBSTJB-QZTJIDSGSA-N	423.604	4.640	50	20	HJGD	
CC(=O)Nc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1	26819991	RTKGZBLAZBZECG-HYARGMPZSA-N	418.541	4.792	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccccc1Br	33304222	VUWIHMAMGPUAMO-XFXZXTDPSA-N	406.077	4.757	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	40852591	XBZAYZCLLDXWDI-YRNVUSSQSA-N	420.321	4.578	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(C)c(OCc3ccccn3)c(C)c2)cc1	207255877	WDKCQNUHCXHCPB-UCQKPKSFSA-N	418.518	4.924	50	20	HJGD	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1	729168016	REVUJGPDSKMIDY-UHFFFAOYSA-N	402.947	4.841	50	20	HJGD	
O=C(Cn1ccc2ccccc21)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1	729638410	KEMCWWZIFXTFIA-UHFFFAOYSA-N	419.488	4.644	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cnn(C(C)C)c2)c1C	732748888	QOIFLVFQSMMYNC-JJUBJSHISA-N	415.541	4.964	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1Oc1ccncc1	734321726	WJTJWKIZKRNGPD-UHFFFAOYSA-N	416.264	4.564	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNC(=O)c1cccc2ccccc12	741577354	YZLXFRFFWBZXBO-UHFFFAOYSA-N	421.909	4.620	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc2c(C(F)(F)F)cc(O)nc2o1	748008446	LMNIIFYWQOQWMI-UHFFFAOYSA-N	406.147	4.616	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1	748088385	XKZHDAJFRFESIL-UHFFFAOYSA-N	414.824	4.756	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NNc1ccc(OC(F)F)cc1	748649429	XRHJJEPEUWLPLO-UHFFFAOYSA-N	415.874	4.812	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)/C(C#N)=C/c1ccc(O)cc1	750667231	VOSGOTWSNMICEQ-LDADJPATSA-N	406.482	4.728	50	20	HJGD	
O=C(Cc1ccc(OCc2ccccn2)cc1)NNc1cc(C(F)(F)F)ccc1F	754146667	CHCVVYNCSLNRPH-UHFFFAOYSA-N	419.378	4.504	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)NNC(=O)C(C)(C)c3ccccc3)ccc2C)c1	756776209	WZZUHMZNGVOMEY-UHFFFAOYSA-N	418.497	4.621	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1	758925599	BGAILYQURCZIMY-UOBPLZBXSA-N	417.465	4.964	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(-c3c(C)noc3C)cc2)c1C	759915950	SVTZHFAOOCDXDF-BKUYFWCQSA-N	419.481	4.536	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3nc(C)co3)ccc2C)c1C	760068242	LWTNXTPERSFRBM-SRZZPIQSSA-N	418.497	4.569	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2Br)cnn1-c1ccc(C)cc1	760459763	KCEWCDZQSBPEFC-UHFFFAOYSA-N	413.319	4.653	50	20	HJGD	
CCSCc1ccnc(NC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)c1	761960131	JEUPNVFMEMWISI-IWEBCOIVSA-N	412.559	4.506	50	20	HJGD	
Cc1cccc([C@H](NS(=O)(=O)c2ccc(CCCCl)cc2)c2ccccn2)c1	765734213	FNRYMRWETMELRD-QFIPXVFZSA-N	414.958	4.629	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccccc3)s2)c1C	766681621	WTHRCQNVESPJHM-XDHOZWIPSA-N	406.511	4.684	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1	768701322	FDMUGQSXGGEXBI-UHFFFAOYSA-N	415.840	4.686	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)C(=O)c3cc(F)cc(F)c3)cs2)cc1	772176708	OUYAIGSCEVZWLP-ZSOIEALJSA-N	412.417	4.799	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(C3CC3)cc2)c(-c2ccccc2)n1	772852239	JTWSIFTYXBHFGN-QNGOZBTKSA-N	407.477	4.887	50	20	HJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1	775732373	DCSLQFSBOACURW-ZVMFBBOGSA-N	405.242	4.665	50	20	HJGD	
N#C/C(=C/c1cccc(Br)c1OC(F)F)C(=O)c1ccc2c(c1)OCO2	776726343	WLSDFBUXGNZCBV-SDQBBNPISA-N	422.181	4.569	50	20	HJGD	
CCCOc1ccc(CN(CCC)C(=O)/C(C#N)=C\c2ccc(O)cc2)cc1OC	786993522	NGLKKAIFMTZBMX-ZHZULCJRSA-N	408.498	4.535	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1sc2cccc(Cl)c2c1Cl	788563721	ORXBNHIANUXBIW-UHFFFAOYSA-N	422.322	4.879	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c1C	789924495	UILOJHHTECCOCE-XGHPXPSOSA-N	416.319	4.621	50	20	HJGD	
N#C/C(=C/c1cc(Br)c(Cl)s1)C(=O)c1cccc2c1OCCO2	790101205	WRYOXBFJDARFIK-TWGQIWQCSA-N	410.676	4.725	50	20	HJGD	
COc1ccccc1-c1csc([C@H]2CCCN(C(=O)NCCSSC)C2)n1	790880414	ZQANTUJWSGASTL-AWEZNQCLSA-N	423.629	4.719	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccnc(F)c1	794859858	FJAJSJDHIDJFDS-UHFFFAOYSA-N	419.485	4.543	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)ccc1OCc1ccc(Cl)cc1	794884424	PHBLLNWZTYHOES-PYJSORCASA-N	411.885	4.830	50	20	HJGD	
CSc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	798569579	VFKUEFLVHVFONJ-PAJSBONASA-N	423.582	4.790	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccc(Oc2ccccc2)cn1	799722718	OPWZLYFDVABKOC-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1-c1ncc(-c2ccccc2)o1	803437966	XWKBBOYYHZSTAB-UHFFFAOYSA-N	422.444	4.607	50	20	HJGD	
O=C(Cn1ccc2ccccc21)NN=Cc1cc(C(F)(F)F)ccc1Br	811641594	IKEWVLIFLFOUGR-UHFFFAOYSA-N	424.220	4.573	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H](c1c(Cl)cccc1Cl)C1CC1	812499166	HHESTNRJUZSRDC-SFHVURJKSA-N	418.280	4.835	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1	849209216	IONCMDQCKUOLDO-QQFZQELXSA-N	403.265	4.779	50	20	HJGD	
CCn1c(SCC(=O)NNc2ccccc2)nnc1-c1ccc(Cl)cc1Cl	868114920	VCSOMLDJSKDURZ-UHFFFAOYSA-N	422.341	4.507	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccncc2)c(C)n1-c1cccc2ccccc12	911597690	LSKNLQHKJSCRFI-HZHRSRAPSA-N	406.489	4.866	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	915198754	WSSBIKKJFHCKSN-UNOMPAQXSA-N	410.433	4.690	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(F)c2)c(C)n1C[C@H]1CCCO1	915735677	NUUREYUUMVJFMF-YZIPPPLESA-N	401.869	4.622	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)c1ccc2c(c1)OCO2	915989217	CXPZMUYVCQLECX-VXLYETTFSA-N	401.393	4.923	50	20	HJGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	918233849	QMPVXFKQKOZXDJ-AWEZNQCLSA-N	424.328	4.552	50	20	HJGD	
N#C/C(=C\c1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)Nc1ccccc1F	920065131	KATCSKGIUPXEND-ZRDIBKRKSA-N	401.228	4.864	50	20	HJGD	
Cn1cc(C=NNC(=O)CCSc2ccc(F)cc2)c(-c2cc3ccccc3o2)n1	920365849	BGHUCOHIIOVTGN-UHFFFAOYSA-N	422.485	4.605	50	20	HJGD	
O=C(NCc1cccc(C(F)(F)F)c1)NN=Cc1cc2ccccc2nc1Cl	921260788	GGBDJCKRYYAJGY-UHFFFAOYSA-N	406.795	4.740	50	20	HJGD	
Cc1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)c(C)n1C	1786012498	IZMNHJLOFVCZKX-UHFFFAOYSA-N	415.965	4.655	50	20	HJGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1-c1ccc(C)cc1)C2	1800075561	XDWPLMJJMAUPJA-SRYPRDQNSA-N	424.972	4.931	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1	1830913243	UMVALYOBFQXZDK-PMACEKPBSA-N	416.949	4.684	50	20	HJGD	
CCC(CC)c1nnc(/N=C(O)/C(C#N)=C/c2cc(C)n(CCOC)c2C)s1	24694126	JPNYCQWWRBQOEP-GZTJUZNOSA-N	401.536	4.702	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1	46568525	NXNLJAFKAAFICT-NTCAYCPXSA-N	405.435	4.878	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CC#N)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	725712630	DEWHNDLTWCJPPY-DHDCSXOGSA-N	420.822	4.655	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C	726618734	MRAVBXHAHYZGQX-QGZVFWFLSA-N	408.424	4.747	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2cccc(OCCCC#N)c2)c(C)n1-c1ccccc1	726737194	BDIOIJIIRYGFCA-UHFFFAOYSA-N	400.482	4.541	50	20	HJGD	
N#Cc1ccc(Cc2cnc(NC(=O)NNc3cccc(C(F)(F)F)c3)s2)cc1	726871330	KWHAEZOPSNUYBU-UHFFFAOYSA-N	417.416	4.773	50	20	HJGD	
O=C(NN=Cc1ccccc1OC(F)(F)F)c1ccc(Br)cc1Cl	728782635	QEALFNNDNZOEPW-UHFFFAOYSA-N	421.600	4.765	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccsc3)no2)c(C)n1CCC(C)C	729237399	WWMBJSKXSNGSQH-GRSHGNNSSA-N	424.526	4.913	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Cc1cccc2ccccc12)c1csc2ccccc12	730068615	OMSOSDXLLARSHF-HNNXBMFYSA-N	403.507	4.689	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(OC(F)(F)F)cc2)s1	730205599	KQRFAFMCUDDPGB-UHFFFAOYSA-N	423.372	4.979	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNC(=O)Cc3ccccc3F)sc2c1	732640799	KYZGDBBVHNHWCS-UHFFFAOYSA-N	404.894	4.821	50	20	HJGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)NCc1ccc(Cl)cc1)c1cccs1	733039784	RNTFEJFHAXVEDT-QGZVFWFLSA-N	408.955	4.592	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1sc2cc(C(F)(F)F)ccc2c1Cl	735686805	HVILOSZQLBLMKB-UHFFFAOYSA-N	407.204	4.774	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cccc(Oc3nccs3)c2)cc1C(F)(F)F	746896758	RQVCNJFKVHTMLY-UHFFFAOYSA-N	404.373	4.583	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNc3cccc(C#N)c3)cc12	748030737	JBLAFBHOWGSDLJ-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@@H](c1cccc(Cl)c1)c1ccccn1	761796640	FZMJCNDZSLZPMT-SFHVURJKSA-N	418.831	4.752	50	20	HJGD	
COC(=O)CCCN1CCC(Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	765922060	XUJIXTLQHVAPGT-QGZVFWFLSA-N	424.916	4.735	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1	767932443	VGWQJWXGOVGFED-QGZVFWFLSA-N	421.310	4.504	50	20	HJGD	
Cn1cnc(-c2ccc(NC(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc2)n1	771781365	XYRKWLYEZOUELD-UHFFFAOYSA-N	411.680	4.591	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1	773744333	MIKYGFLTQSUTOB-UHFFFAOYSA-N	416.264	4.868	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1ccc(-c2ccc(OC(F)F)cc2)s1	774788242	OCAAGWWNDZKNRE-UHFFFAOYSA-N	412.421	4.717	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)NNc3ccc(Cl)cc3)cccc21	779393781	YSYDLBSSAJLTBA-UHFFFAOYSA-N	401.894	4.785	50	20	HJGD	
Cc1cc(Oc2ncccn2)ccc1NC(=O)NNc1ccccc1OC(F)(F)F	779414917	XGYBGGTWLPSDKT-UHFFFAOYSA-N	419.363	4.625	50	20	HJGD	
Cc1ccc(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cn1	782983295	QECZAPVHXRMODN-UHFFFAOYSA-N	402.410	4.568	50	20	HJGD	
CCOc1cccc2[nH]cc(CC(=O)NNc3ccc(Br)cc3Cl)c12	783686403	WDEKEIOPKYYQOH-UHFFFAOYSA-N	422.710	4.668	50	20	HJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1Br	783688428	KVGNLBHJOHYPHI-XFFZJAGNSA-N	406.623	4.556	50	20	HJGD	
C[C@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	785533004	JVBAPZGPGMIDHH-SUNKGSAMSA-N	409.442	4.514	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1	787530342	NDUGGLQWDGTKSS-OUQXZNHLSA-N	418.440	4.635	50	20	HJGD	
CCC(CC)(C(=O)Nc1cccc(NC(=O)NN(C)C)c1)c1ccc(Cl)cc1	791276940	DQIXWVGUYCCXBZ-UHFFFAOYSA-N	402.926	4.635	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)[C@H](C#N)c2cnc3ccccc3n2)c(C)n1CCC(C)C	792101632	BPGHRMXLYAKZRB-FVIRYLMMSA-N	411.509	4.878	50	20	HJGD	
CC(C)(C)OC(=O)N1CC=C(CCNC(=O)CCCC[C@H]2CCSS2)CC1	794177178	GBFAZQHVRQBLFH-KRWDZBQOSA-N	414.637	4.774	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(c2cccc(Br)c2)CC1	798795376	UMZSWSVGDVVBBY-UHFFFAOYSA-N	424.770	4.521	50	20	HJGD	
Cn1cc(Oc2ccccc2C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cn1	800793725	OVSDHKOIJGDTEN-UHFFFAOYSA-N	411.676	4.930	50	20	HJGD	
Cc1ccc(C(=O)N2CCSCC2)cc1NCc1ccc(OCCCCl)cc1	811469553	HEKXUIWDXGXCFQ-UHFFFAOYSA-N	418.990	4.804	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)Cc1ccc(OCc2c(C)noc2C)cc1	899892075	AQKAOIIRMOGXBV-UHFFFAOYSA-N	410.426	4.544	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2C)C2CC2)c1C	914487159	GHKAFBICUCQFBL-QMFLXTPQSA-N	405.542	4.719	50	20	HJGD	
Cc1ccccc1CN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)C1CC1	914487397	JGDQSKZXCZLGFD-PNZYDNNZSA-N	417.553	4.691	50	20	HJGD	
CCOc1ccc(N(CC)C(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	914517893	BXWXJOPXOSKKIR-INJUALFYSA-N	421.541	4.643	50	20	HJGD	
CC(C)Oc1ccccc1C=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	916290095	WDWOFKOBECNXKX-UHFFFAOYSA-N	410.477	4.848	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNC(=O)c1ccc2ccccc2c1	917547043	KQKGRSIOPRYDTH-UHFFFAOYSA-N	420.875	4.949	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@@H](CCc1ccccc1)c1ccccc1	918231377	HIZOYKWYWWSJOE-FQEVSTJZSA-N	419.550	4.555	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1	1786444136	CQJWAWSNYZULRF-GOSISDBHSA-N	424.932	4.718	50	20	HJGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788588011	VBPPHVHTVFZPEG-KUHUBIRLSA-N	420.887	4.673	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccccc3)cc2)CCC1	1790213182	HONLPOMPGOXXQM-HXUWFJFHSA-N	405.325	4.671	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Nc3ccccc3)CCC2)cc1	1790487470	XGGXYNLSSLYTCX-OXQOHEQNSA-N	413.949	4.639	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1	1790488920	OJOJEYLQVBCKRB-YLAKUSLOSA-N	402.966	4.964	50	20	HJGD	
Cc1cc(F)cc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)c1	1791606818	ASEXHMXVGSLJDY-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(C(=O)N2CCSCC2)c1	140544484	HUHNBSIQCZTVIQ-QGZVFWFLSA-N	410.630	4.528	50	20	HJGD	
COc1ccc(NNC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1	729273444	QWTFUSMOQCNLBA-UHFFFAOYSA-N	412.902	4.814	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)C(=O)O)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12	730729912	QRHIVGZHGMGQOC-GHXNOFRVSA-N	416.767	4.667	50	20	HJGD	
COc1ccc(C(=O)NN=C(CC(F)(F)F)c2ccccc2)cc1Br	731935074	QTYGYMNZSBDQNH-UHFFFAOYSA-N	415.209	4.544	50	20	HJGD	
N#C/C(=C/c1ncc(-c2cccc(Br)c2)[nH]1)C(=O)Nc1ccccc1F	731939131	UZUNOMKDORXZEX-LCYFTJDESA-N	411.234	4.524	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(N)=C(C#N)C#N)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	732575474	CLCDHVQTCZDSOY-NSIKDUERSA-N	415.806	4.933	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc(OCC3CC3)cc2)c(C)n1C[C@H]1CCCO1	745815754	PTCIDZKQOHWQLV-QYAMMSNYSA-N	420.509	4.585	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(OC(=O)c3c(C)nn(CCCl)c3C)cc2)cc1	746201703	IGAUKVLXIVECII-UHFFFAOYSA-N	411.889	4.519	50	20	HJGD	
Cc1ccc(OCc2cccc(C(=O)NNc3ccc(C(F)(F)F)cc3)c2)cn1	747599092	MPAVXQZFIXSSAT-UHFFFAOYSA-N	401.388	4.745	50	20	HJGD	
CCCn1c(C)c(C(=O)NNc2ccccc2Br)c2cc(OC)ccc21	748066537	UFOWDXXOIHXGHC-UHFFFAOYSA-N	416.319	4.888	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1	748551231	DIFLQXNZLWKNIC-UHFFFAOYSA-N	405.882	4.509	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@@H](OC1CCCC1)c1ccccc1	748694541	OHHBOTHHTQBWIM-IBGZPJMESA-N	408.420	4.771	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c(F)cc1F	748712934	ZZMNQVXFSUYLFD-UHFFFAOYSA-N	409.152	4.811	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCC2CCOCC2)c(C)n1-c1cccc2ccccc12	749153413	YZLOOIUALKLCSU-HAHDFKILSA-N	413.521	4.697	50	20	HJGD	
CSc1cc(C)ccc1CNC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	756997137	NBIXJOBNIXRNHC-UHSICZIDSA-N	423.582	4.538	50	20	HJGD	
C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CS2	762517732	MPQUMFOEISMGLS-SMDDNHRTSA-N	402.410	4.737	50	20	HJGD	
CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(OCCBr)c(Cl)c2)c1	763110213	ZRNQRNLOFAUOBF-FNORWQNLSA-N	422.706	4.968	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cnc(-c3ccccc3)s2)c1C	763294019	JQNGTJQDTHPZHS-UDWIEESQSA-N	421.522	4.525	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	765152414	GHXDZSVXNKLVMF-SNVBAGLBSA-N	406.335	4.534	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)CCCC[C@H]3CCSS3)C2)C1	765342136	CUUHPNJMQIVAOG-OXJNMPFZSA-N	414.637	4.560	50	20	HJGD	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NNc1cccc([N+](=O)[O-])c1	769966743	VSEDZTBJYHTRKO-UHFFFAOYSA-N	420.429	4.696	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1-n1cncn1	773158547	BZHJUUYDEWTHMD-CHHVJCJISA-N	400.335	4.524	50	20	HJGD	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)NNc1c(F)cccc1F	773706093	USUZCXXBSHDGJD-UHFFFAOYSA-N	415.827	4.675	50	20	HJGD	
CCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2cccc(C(F)(F)F)c2)c1	775513428	IWJJLHRQWCDYOH-UHFFFAOYSA-N	400.788	4.856	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccccc3C)[nH]n2)c1C	775556559	RCMRVCKEGOVSAP-LELXDKESSA-N	417.513	4.557	50	20	HJGD	
CC(C)COC(=O)Nc1cccc(NC(=O)NNc2ncc(Cl)cc2Cl)c1	775559012	TUQYYKSVWIJZOT-UHFFFAOYSA-N	412.277	4.742	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cccc(Br)c3OC(F)F)nc12	776729487	WHTQNLQKMBZELU-XFFZJAGNSA-N	405.202	4.694	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1	777466828	GDKSJUHLFOQXPF-WOJGMQOQSA-N	410.399	4.520	50	20	HJGD	
Cc1nc(C(=O)NNc2ccc(Br)cc2C)c(-c2ccccc2)s1	778932092	NVBVEIBBRQIEPO-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1ccc(NC(=O)c2ccco2)cc1	779388335	ADFQJHFJXAEAGK-UHFFFAOYSA-N	420.347	4.579	50	20	HJGD	
CCC[C@H]1C[C@@H](C(=O)NNc2c(Cl)cc(Br)cc2Cl)CCO1	779921282	BEBQSHVIPXWZJT-ONGXEEELSA-N	410.139	4.794	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1cc(F)c(F)c(F)c1)OCc1ccccc1	782018430	KZTVOZCKWDHQSW-UHFFFAOYSA-N	415.371	4.610	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(C3CC3)no2)c(C)n1-c1ccc(F)cc1	782353223	ZBZRCYOOFOLGDN-JQFNYASXSA-N	420.444	4.705	50	20	HJGD	
CC(C)Cn1ccc2cc(NC(=O)C(=O)NNc3cc(Cl)ccc3Cl)ccc21	783371721	OSAMZPUGUGNQIS-UHFFFAOYSA-N	419.312	4.686	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ccnc(-c2ccc(Br)cc2)n1	785349805	ODOQZFPPOURABI-SFQUDFHCSA-N	420.266	4.556	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1	793893666	XEIGTWLTTFRUCT-IRXDYDNUSA-N	404.352	4.940	50	20	HJGD	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1nccnc1C1CCC1	805465397	JXGQORHWNCZTTF-LBPRGKRZSA-N	413.934	4.570	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1ccc(Oc2ccc(Br)cc2)nc1	816629482	OAYXAKIZCVWXNY-UHFFFAOYSA-N	404.091	4.512	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2=NCCS2)c(C)n1-c1cccc(Cl)c1Cl	906256937	UJJXEXOAIQIQPC-ZROIWOOFSA-N	419.337	4.527	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(C)c(SCC#N)s2)c1C	916088645	XSFULFQBADQJQS-GZTJUZNOSA-N	413.572	4.831	50	20	HJGD	
CCCc1ccc([C@H](NC(=O)NNC(=O)c2ccccc2F)c2cccs2)cc1	916195714	XUWCHMUZHHNKIY-FQEVSTJZSA-N	411.502	4.573	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccccc1F	916293787	GWAHFJKOSZEHOI-UHFFFAOYSA-N	408.502	4.679	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c(C)n1CC(C)C	916466834	KPRFGBYSPMVNKG-GXPYYPFNSA-N	421.541	4.864	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)c2ccccc2C)cc1	916543356	OLFKTNSZYAFSCD-UHFFFAOYSA-N	408.505	4.979	50	20	HJGD	
COc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3cccc(Cl)c3)s2)cc1	917025885	GTLCGLJFFCILFF-UHFFFAOYSA-N	421.309	4.966	50	20	HJGD	
CCCn1c(C=NNC(=O)COc2ccccc2-c2ccccc2)nc2ccccc21	917533067	AQWWSDCWMGHBKK-UHFFFAOYSA-N	412.493	4.642	50	20	HJGD	
CN(Cc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc2ccccc2c1	918013444	DTJBDTOAAAXRLE-UHFFFAOYSA-N	402.281	4.633	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cc2ccoc2s1	1788584281	TYDLBJMWWFXDJG-OAHLLOKOSA-N	406.866	4.776	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)c(F)c1F	1788588107	FJEWFIREWFBVDW-KRWDZBQOSA-N	410.823	4.555	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCC3(F)F)CCC2)cc1	1790487680	JWNORLBBJRLKRQ-DLBZAZTESA-N	412.908	4.963	50	20	HJGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C)C2	1800072876	PKVGHLGVTNXOMS-XFMPKHEZSA-N	417.764	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)cccc2F)[nH]n1	1815324092	JDHPSJSSONSLIU-YOEHRIQHSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](F)Cl)n[nH]2)CC1	1818043023	AJGVMXSOYRAJKH-GZOSKZMVSA-N	412.937	4.543	50	20	HJGD	
Cc1ccc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c1	1824014968	MMWXXYPPRWHTLJ-OAQYLSRUSA-N	419.009	4.802	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccccc1	6410475	LWSZXWYPTHGYIU-MHWRWJLKSA-N	411.292	4.711	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1C	24701490	KYBBYQSOFDNDKZ-UESXIHFLSA-N	405.498	4.843	50	20	HJGD	
CCCSCC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	71946517	NRGYRPOTFLJZGD-UHFFFAOYSA-N	408.976	4.537	50	20	HJGD	
O=C(NN=C/C=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccco2)nc2ccccc12	254876918	JIZHASJHRLDHJN-TXCMASFXSA-N	412.405	4.832	50	20	HJGD	
N#C/C(=C\c1cnc(-c2ccccc2)s1)C(=O)Nc1nc(-c2ccncc2)cs1	727264245	PHHCXYOKXQMPQL-MHWRWJLKSA-N	415.503	4.874	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c2c(c1)C[C@H](C)O2	727744108	KAAQNEBDBUYDBK-AAWHYMEISA-N	402.372	4.583	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c2c(c1)C[C@H](C)O2	727744167	LJIZSUOLEPHYFJ-NGPAHMQLSA-N	403.265	4.871	50	20	HJGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1c(F)cccc1O[C@@H](C)c1ccccc1	730144818	IWGPYZICOLZROU-INIZCTEOSA-N	411.502	4.814	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)c1ccc(SCc2ccccc2)cc1	730226611	ODNJORXGCRFRJY-UHFFFAOYSA-N	413.502	4.602	50	20	HJGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)C1CCC(c2ccccc2)CC1	742589055	LCLOGRDCDSCTBW-UHFFFAOYSA-N	419.447	4.510	50	20	HJGD	
Cc1cc([C@](C)(O)CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c(C)o1	743515640	OPOGNDWSNVMICC-AHBWMYNMSA-N	423.557	4.751	50	20	HJGD	
O=C(NNC(=O)N[C@H]1CCCOc2ccccc21)Nc1ccc(-c2ccccc2)cc1	743579091	RKFRZOZMQAHLIS-NRFANRHFSA-N	416.481	4.603	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccccc1SC(F)(F)F	748075232	MBKZQVOSVCVHMM-UHFFFAOYSA-N	409.202	4.957	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(Br)ccc1Cl	748077118	FFDIRVRHLCNYFC-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1csc(-c2ccccc2F)n1	748191047	JXEQOGQLMOXKGG-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
O=C(NNC(=O)N(Cc1cccs1)Cc1cccs1)c1cc2ccccc2o1	750285056	RWZWAFMLWBOASF-UHFFFAOYSA-N	411.508	4.613	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(C#N)c(Cl)c2)o1	753322977	SJLSJUKCQUSBOG-UHFFFAOYSA-N	417.856	4.723	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(SCc2ccccc2)cn1	754189251	XQJSJFPLRSBPCF-UHFFFAOYSA-N	400.935	4.678	50	20	HJGD	
Cc1nn(C)cc1C=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	755489805	AAHNZNDDXUBPJW-UHFFFAOYSA-N	424.504	4.738	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1cccc(Oc2ccccn2)c1	756818958	ADMYVJGUEULAAJ-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2sc3ccccc3c2C)cc1	760131953	GXDXOOVEULRICU-SFQUDFHCSA-N	405.475	4.942	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1	767305335	PLCNIRCFMUJDTE-QGZVFWFLSA-N	421.310	4.504	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3cn(C)nc3C(F)F)c2C)cc1	770325816	LYGLIFOQYOOWTP-ZDLGFXPLSA-N	424.451	4.724	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc(Cl)cc1C(F)(F)F	771741877	RAFZHBRRNYKCGS-UHFFFAOYSA-N	406.791	4.516	50	20	HJGD	
CSCCCCCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	773882167	NTTHIBDTQQMBAQ-UHFFFAOYSA-N	406.442	4.932	50	20	HJGD	
Cc1ccc([C@H](C)NCCP(=O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	775549948	SAOPINUVBBMLSF-IBGZPJMESA-N	408.438	4.568	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NNc2ccc3ccccc3n2)c1	775626406	WYJLJWOESMGJQW-UHFFFAOYSA-N	411.437	4.870	50	20	HJGD	
CN(CCc1ccncc1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777909741	AYPMUJNCQBQGAC-UHFFFAOYSA-N	402.410	4.602	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(Br)ccc3Cl)c(C)cc2c1	778481368	KAYXABZFZKQNHI-UHFFFAOYSA-N	420.694	4.725	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(-c4ccc(Cl)s4)on3)c(C)cc2c1	778482404	ZBVSTMJJFJOEAI-UHFFFAOYSA-N	414.874	4.679	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc2c(c1)nc(O)n2C1CCCC1	779203292	BGXIHRMMDPUJCI-UHFFFAOYSA-N	420.391	4.513	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2ccc(OC(F)(F)F)cc2[nH]1	779207559	ZVKSNMDAOKZDPI-UHFFFAOYSA-N	419.281	4.722	50	20	HJGD	
CSc1ccccc1COC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	781221704	WLPRTCYGFAFCAL-HNLWVNFGSA-N	410.539	4.656	50	20	HJGD	
N#CCCSc1ccccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782822179	RYEYYCNDSLMVGZ-UHFFFAOYSA-N	416.506	4.500	50	20	HJGD	
O=C(NNc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1-c1ccccc1	785988575	NFBHJHNXQSFOFR-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
O=C(CCCc1ccsc1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804207798	PGLGWVUTOHBMTN-UHFFFAOYSA-N	406.433	4.690	50	20	HJGD	
O=S(=O)(NC[C@@H]1COc2ccccc21)c1cccc(S(F)(F)(F)(F)F)c1	808349431	SRBLDVBQWMSWJF-LLVKDONJSA-N	415.405	4.799	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)NNc1c(C)cccc1C(C)C)c1ccccn1	813125126	YFHOEMCLCAWTPT-QHCPKHFHSA-N	404.514	4.938	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1c(Cl)nc(Cl)n1-c1ccccc1	814757032	KGKNWZVSZSMOPX-UHFFFAOYSA-N	407.688	4.525	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1nc2cc(Br)ccc2o1	816629393	KUTKXHPMWUDYQF-GFCCVEGCSA-N	415.378	4.921	50	20	HJGD	
COC(=O)c1ccc(Br)c(NNC(=O)c2cc3cccc(C)c3s2)c1	818763488	PCHNGVVYGJVCIB-UHFFFAOYSA-N	419.300	4.516	50	20	HJGD	
O=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1c[nH]nc1C(F)(F)F	821198032	JXQQIIWXSJJRQS-UHFFFAOYSA-N	417.303	4.887	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1	912776612	PFELJHZRWNNUJF-UNOMPAQXSA-N	410.476	4.970	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C	915847683	MWNJPWDJYSZPDZ-CPNJWEJPSA-N	404.470	4.748	50	20	HJGD	
C[C@H](NC(=O)NNc1ccccc1C(F)(F)F)c1nc2ccccc2n1C(F)F	918199554	HBNUDJJAKQDVQK-JTQLQIEISA-N	413.350	4.838	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCN(CC3CC3)CC2)c(C)n1C1CCCCC1	918637224	XFPHIJMAOYFBPP-PXLXIMEGSA-N	408.590	4.508	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	920035536	BSLACDIKQSWATB-JTQLQIEISA-N	401.772	4.904	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(Nc3ccccc3)CC2)c(C)n1CC(C)C	1115902394	SVVKJFKPESCIQM-PXLXIMEGSA-N	404.558	4.771	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)c1ccc(Oc2ccc(Cl)cn2)cc1	1252247149	HFQIWOZJVJDFSZ-UHFFFAOYSA-N	417.852	4.755	50	20	HJGD	
CSc1cc(/C(C#N)=C\c2cccc(OCc3cccc(C(=O)O)c3)c2)ncn1	1255999540	VCFHAXLDBLEANA-LSCVHKIXSA-N	403.463	4.540	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc([S@](C)=O)cc2)c1C	1329737978	IFLYGTJBGGIREC-JFRFOPCWSA-N	417.534	4.686	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)c3ccccc3)cc2)CCC1)C(Cl)Cl	1786614731	GPYDHZRPLOSWFV-MRXNPFEDSA-N	409.288	4.635	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CCC1	1786914745	DBBXZNKGUDJGLU-SQUSKLHYSA-N	421.324	4.663	50	20	HJGD	
C[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)Oc1ccccc1	1788588922	PLERBADDWFZOFU-YWZLYKJASA-N	418.896	4.513	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CO[Si](C)(C)C)CCC2)cc1	1789456256	OIJIFYUOFQEXND-HXUWFJFHSA-N	414.622	4.740	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cc2cc[nH]c2cc1F	1790072413	KNVVBLKDFJCZNC-SFHVURJKSA-N	417.843	4.589	50	20	HJGD	
C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)Oc1ccccc1	1791143651	MVYRBOXSEVKMJB-MGPUTAFESA-N	418.896	4.513	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2F)CC1	1824616108	RVZJIQMWKVSMDO-CTNGQTDRSA-N	422.972	4.775	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826264606	JHAFXUHMJPOXIH-HXUWFJFHSA-N	411.030	4.842	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1	1828189453	UTGSTEWRVUZKLY-MOPGFXCFSA-N	416.949	4.684	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2oc3ccccc3c2COC(C)C)c1C	15428091	SFPDLUMFWSLIEO-UHFFFAOYSA-N	411.527	4.606	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2F)o1)NNC(=S)Nc1cccc(Cl)c1	15756257	DISZHJPWEJZEFT-UHFFFAOYSA-N	417.893	4.690	50	20	HJGD	
Cc1csc(/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)n1	98073537	VVVIXAMDTMVOPD-XNWCZRBMSA-N	400.095	4.746	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccncc1	208582881	PCCAPFRFYJSLDO-CJJABTPJSA-N	411.509	4.536	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C	212879121	QLKFLISVRUHPEL-GHXNOFRVSA-N	406.269	4.661	50	20	HJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	215073705	XSMSXOWTRLAIDB-OQLLNIDSSA-N	400.862	4.610	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](OC1CCCC1)c1ccccc1	726986448	CZCOJJYARJFUJE-NRFANRHFSA-N	411.571	4.576	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1csc(-c2ccccc2Cl)n1	727485072	CFKVAEXZLHRUFH-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)Nc1ccccc1Cl	728437440	CWFXLANCJWCMCW-QPEQYQDCSA-N	409.854	4.738	50	20	HJGD	
CC(C)NC(=O)NNC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	730215364	YBOFCNBGPSIPSI-MRXNPFEDSA-N	412.342	4.566	50	20	HJGD	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)c1ccc(Br)s1	730435827	CZBBIGUNQSYERD-WEVVVXLNSA-N	413.090	4.769	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc1	731232356	PRJRFZGCURMYDU-FGZHOGPDSA-N	419.550	4.748	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc1	731232357	PRJRFZGCURMYDU-VXKWHMMOSA-N	419.550	4.748	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(Oc3ccc(C)cc3)CC2)c1C	735016145	MSGCAEOLBRAFSS-JWGURIENSA-N	405.542	4.800	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](Cc1ccccc1)c1sccc1C)c1ccccc1	737066037	HCAKJMYZXKHLLY-NHCUHLMSSA-N	421.566	4.865	50	20	HJGD	
CCc1cc(NNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)nc(-c2ccccn2)n1	738531046	SKWGRSGLOZXLMQ-NHCUHLMSSA-N	409.493	4.501	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1C	739821142	WVNKWJYZVIKWMM-PRWBYUBPSA-N	424.520	4.791	50	20	HJGD	
CC(C)(C)CCCNC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	740512724	LNNVEHJCZJQCBS-HNNXBMFYSA-N	410.889	4.787	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNc3c(F)cc(F)cc3Br)cc2C1	741981073	ZZIPHOOHNOMBLB-MRVPVSSYSA-N	401.276	4.671	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2ccc(Br)cc2Cl)c2ccccc2n1	743422094	QKIFRIWPLPTQAR-UHFFFAOYSA-N	402.679	4.723	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=Cc3occc3C)c3ccccc3n2)cc1OC	743427824	BFKOWYNNKKWMSY-UHFFFAOYSA-N	415.449	4.584	50	20	HJGD	
Cc1ccc(C(=O)NNc2ncccc2C(F)(F)F)cc1NC(=O)OC(C)(C)C	743482965	PSOJLLPQRKLOJU-UHFFFAOYSA-N	410.396	4.513	50	20	HJGD	
CCCC[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1ccc(OC)cc1	743629753	FTJCRRQNUWSFJV-JOCHJYFZSA-N	405.498	4.724	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc(-n2nccc2C(F)(F)F)c1	747608931	FTLWLSLTAYVSEQ-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
O=C(NNc1ccccc1F)c1ccccc1Sc1ccc(Br)cn1	748050216	OUHGWEAFHYIQTI-UHFFFAOYSA-N	418.291	4.891	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1	748427779	LLNUHYVJXZLQME-UHFFFAOYSA-N	411.552	4.853	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(C#N)c(Cl)c3)c3c(C)noc3n2)cc1	753299698	NKWXDUNQJRGHMT-UHFFFAOYSA-N	417.856	4.789	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2O)c1C	760424833	COLVLNWCNSQJAK-FCGPPKDQSA-N	422.312	4.870	50	20	HJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2ccc(OC(F)(F)F)cc2)on1	761588409	LDVVYOYZQRTKTP-UHFFFAOYSA-N	423.416	4.931	50	20	HJGD	
CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762968396	JVDOLNZGEPUUOI-UHFFFAOYSA-N	424.399	4.617	50	20	HJGD	
COc1ccccc1-c1ccc([C@H](C)NC(=O)NNc2ncnc3ccsc23)cc1	765806147	QYRKTDONEZGQPK-AWEZNQCLSA-N	419.510	4.754	50	20	HJGD	
CC(C)(C)CNC(=O)c1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	767410806	ZBAQIKJQOWIUCT-UHFFFAOYSA-N	412.292	4.665	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccn(-c2ncccc2C(F)(F)F)n1	768349210	BISHRHNOFQQJJJ-LBPRGKRZSA-N	416.494	4.939	50	20	HJGD	
CCNC(=O)c1cccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	769937763	HLLJBYGIZWJILN-UHFFFAOYSA-N	401.681	4.545	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(C(=O)N2CCc3ccccc32)c1	775586899	UIPXFQZNQGZURH-UHFFFAOYSA-N	423.476	4.586	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNc2ccc(C(C)(C)C)cc2)c1C	780805923	JRNKQXCOSDMLMY-UOBPLZBXSA-N	408.546	4.660	50	20	HJGD	
CC[C@@H]1C[C@H](CC(=O)NNc2c(Cl)cc(Br)cc2Cl)CCO1	781684991	RIQFWNCCEJLIQQ-MWLCHTKSSA-N	410.139	4.794	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1C	789998346	ALHNYEFAAZSBKA-BFERYNQYSA-N	422.554	4.670	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCCc2ccc(C)cc2C)c1C	790288030	QSODKPDFTNQGQH-PGLVWIQMSA-N	407.558	4.585	50	20	HJGD	
O=C(O)CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790622015	WGDGVQWSYMRINM-NSHDSACASA-N	423.425	4.752	50	20	HJGD	
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NNC(=O)Nc1ccccc1	801984402	GBVLQNDJXSSLHG-UHFFFAOYSA-N	416.456	4.760	50	20	HJGD	
O=C(NNc1nc(O)c2ccccc2n1)C1(Cc2cccc(Cl)c2)CCCCC1	807049484	XOQKDMHNDJHJOI-UHFFFAOYSA-N	410.905	4.625	50	20	HJGD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	808957344	DRXAXLXGADRJKQ-BONVTDFDSA-N	422.375	4.921	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813494482	NTFWALOESGNMMB-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
COc1cc(/C=C/C(=O)NNc2cc(C)ccc2C)ccc1OCc1c(C)noc1C	857830905	GWWWGKUVEYMQEY-PKNBQFBNSA-N	421.497	4.652	50	20	HJGD	
C[C@@H](CCc1ccccc1)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	914458721	KDFCOUWJVOREEA-UZXYXVAJSA-N	423.520	4.508	50	20	HJGD	
CCOc1cccc(C=NNC(=O)COc2cc(C)ccc2C(C)C)c1OC(F)F	915905650	ZOZMKPDXMHCWLX-UHFFFAOYSA-N	420.456	4.648	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC(=O)Cc1cccc2ccccc12	915960208	VERHQRDAXCVIIP-UHFFFAOYSA-N	418.447	4.613	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1	916605668	IPRBMWSJPKFFIR-OFBHVFLISA-N	420.509	4.995	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OCc2cccs2)c1	917215817	GOBCXGGOSHAUAD-UHFFFAOYSA-N	403.847	4.646	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=O)Nc2ccccc2C)cs1	917545406	UVTXFFNZTKDBRY-UHFFFAOYSA-N	407.499	4.600	50	20	HJGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1	918135137	LKWFXVHJENDGHF-FRXJQHJJSA-N	403.592	4.772	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccco2)CC(F)(F)F)c1C	918555173	BVTRBWLXZXISOE-WOJGMQOQSA-N	407.436	4.996	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](N3CCCC3)C2)c(C)n1C1CCCCC1	918695942	HRGWASHVSZRXAB-KZVLXBEFSA-N	408.590	4.604	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccccn2)c(C)n1-c1cccc(Cl)c1	919985473	FTTXFLFPBSLQCN-UNOMPAQXSA-N	404.901	4.708	50	20	HJGD	
CC(C)Oc1cccc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1	921252013	XDGUVUYWQSCTAA-UHFFFAOYSA-N	410.477	4.848	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1csc(Cc2ccc(Cl)cc2)n1	1319040037	ASDNGZQAASXUPR-UHFFFAOYSA-N	421.913	4.601	50	20	HJGD	
Cc1ccc(NC(=O)N(C)C)c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	1322844886	FKSDUKLLGDRFBZ-UHFFFAOYSA-N	415.708	4.806	50	20	HJGD	
CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Br)CCC3)cc2)CC1	1789115167	VVTQTFUFBUUVJU-CVEARBPZSA-N	419.363	4.650	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1	1790484405	OAKHZHVFCZZXOP-NRFANRHFSA-N	423.944	4.642	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@](C)(Cl)CCl)cc2)CCC1	1790489466	SIEFQWYTMUJCKZ-QAPCUYQASA-N	419.780	4.764	50	20	HJGD	
Cc1cccc(-c2nnc(SCC(=O)/C(C#N)=C3\Nc4ccccc4S3)o2)c1	5434708	DYDQFZVLMSBVED-XMHGGMMESA-N	406.492	4.659	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccccc1F	6209410	AQRSBWPKMUFFHP-QGOAFFKASA-N	409.424	4.619	50	20	HJGD	
N#C/C(=C/c1ccc(-c2nc3ccccc3s2)o1)C(=O)Nc1ccc(C(=O)O)cc1	207576226	XBZWJSABENIQSN-KAMYIIQDSA-N	415.430	4.800	50	20	HJGD	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727793595	UJTCVZVRCSUVST-LBPRGKRZSA-N	409.313	4.519	50	20	HJGD	
CC(=NNC(=O)c1ccc(Br)cc1Cl)c1c(C)nn(C(C)C)c1C	728782922	ZGHAPBWCRIVKKC-UHFFFAOYSA-N	411.731	4.651	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)cc1	730223250	ZXALRPYGZBMVLJ-YAJBTMAUSA-N	404.466	4.933	50	20	HJGD	
CN(CCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)CC(F)(F)F	732697020	UJVJVXLPBAVKFS-LLVKDONJSA-N	423.810	4.522	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c3nccs3)c2C)cc1	734803715	GGJKHSQPVBIPHE-UYRXBGFRSA-N	404.539	4.818	50	20	HJGD	
Cc1nc([C@H]2CCCCN2C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)no1	737616069	RHCKBAKITYTSHY-VOSMRYOYSA-N	421.545	4.962	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1csc(-c2ccccc2F)n1	739311464	OXUKJLKZAGHSSC-UHFFFAOYSA-N	423.219	4.839	50	20	HJGD	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NNC(=O)CCCc1ccccc1	747500542	KMXXIHIIWOWGEK-DLBZAZTESA-N	401.938	4.528	50	20	HJGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1ccc(F)cc1Br	748077216	JESBXEUZLNDICO-GFCCVEGCSA-N	405.189	4.768	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21	748672654	KXOPGEUGLUXMRS-OAHLLOKOSA-N	423.538	4.527	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	749543404	PPJIVSFCDMUGCQ-NRFANRHFSA-N	419.868	4.820	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1csc(Cc2ccc(Cl)cc2)n1	754548106	XQUMSMMKTIJRCQ-SXGWCWSVSA-N	410.882	4.743	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)c2cc3ccccc3o2)cc1	755756871	SAQDQMHPVOWINZ-FQEVSTJZSA-N	410.433	4.555	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(OCc2noc(C)n2)c1	759782179	UEVPDWDLTARRIO-UHFFFAOYSA-N	422.510	4.907	50	20	HJGD	
Nc1nc(COC(=O)CCCC[C@H]2CCSS2)nc2sc3c(c12)CCCC3	760030065	IWKZAMFROKEKLI-LBPRGKRZSA-N	423.629	4.910	50	20	HJGD	
O=C(NN=C1CCC(c2cccc(C(F)(F)F)c2)CC1)c1cc([N+](=O)[O-])ccc1O	761809369	IKYJDSWCVWLEDT-UHFFFAOYSA-N	421.375	4.763	50	20	HJGD	
O=S(=O)(NC[C@@H]1CCCCN1C1CC1)c1cccc(S(F)(F)(F)(F)F)c1	766208102	VPOWAPVMWPDRLC-ZDUSSCGKSA-N	420.469	4.639	50	20	HJGD	
C[C@@H]1CCC[C@H]1CC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	769315835	SHFFVSVYYSCYEF-MNOVXSKESA-N	407.426	4.975	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(c2ccccn2)C2CCCC2)c1C	769723716	NULWWMLBDMMXLU-MKYLKIGJSA-N	406.530	4.590	50	20	HJGD	
C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CS2	782116047	ZDEJLPPABHNENR-BXUZGUMPSA-N	402.410	4.737	50	20	HJGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1	784767433	RMHCZSORWSNCTI-UHFFFAOYSA-N	415.371	4.580	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)/C(=C/c1ccco1)NC(=O)c1ccccc1	791726228	FNFOKELINFVFSI-PDGQHHTCSA-N	416.264	4.501	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1c(Cl)c2ccccc2n1C	792489762	DTVHDRQFRJAVES-UHFFFAOYSA-N	400.935	4.587	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	793709929	GTIKLOHIIIUVCL-UHFFFAOYSA-N	421.240	4.876	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(/C#N)C(=O)Nc1cccc2ccccc12	794692072	UIWWXGBAZRYBNM-LGMDPLHJSA-N	413.868	4.928	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)[C@@H]1CCCOC1	794955178	YXZZUTKZZNWXQU-GEBKJHSDSA-N	403.507	4.563	50	20	HJGD	
CCc1ccnc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	797844012	CLHCUBGZUSEPIH-UHFFFAOYSA-N	402.410	4.780	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1C	801092933	ZWKUFYNTQXBNFG-BMIDXDHQSA-N	417.553	4.596	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	802071161	SGISJFCDEKKZKJ-ZETCQYMHSA-N	419.696	4.598	50	20	HJGD	
CCCc1nc(C)c(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)s1	804208121	YQCFFHWVSUSVFK-UHFFFAOYSA-N	421.448	4.637	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnn(-c2ccccc2Cl)c1C(C)C	805374163	KVFDQBWNHMFDMU-UHFFFAOYSA-N	413.865	4.623	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2C)c1C	807724997	LVZCBRZSWHPDDV-UOBPLZBXSA-N	409.530	4.625	50	20	HJGD	
Cc1nc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)ccc1-c1ccccc1	810391015	QGQFGTOUDDQGQK-UHFFFAOYSA-N	422.488	4.865	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	816663010	GYFXESXSGZKLLI-UHFFFAOYSA-N	405.332	4.939	50	20	HJGD	
COc1ccc(Nc2nc(COC(=O)/C(C#N)=C\c3cccc(OC)c3)cs2)cc1	913263396	BUNUQUJVBJVOOR-YBEGLDIGSA-N	421.478	4.554	50	20	HJGD	
Cn1ccnc1[C@@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	916220352	FOCDZMXHIHFFKJ-HNNXBMFYSA-N	424.719	4.796	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(C(=O)OCC)cs3)o2)cc1	920388184	SXJPMERFMYUVQD-WJDWOHSUSA-N	422.462	4.821	50	20	HJGD	
N#Cc1cccc(C2(C(=O)NNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1	1324359532	KISOABODWOKETJ-UHFFFAOYSA-N	413.321	4.771	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCCc3cccnc3)cc2)CCC1	1791951088	BXKBXLZBECFFJN-FQEVSTJZSA-N	413.949	4.556	50	20	HJGD	
O=C(/C=C/C1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCCCCCCCCCl	1847587503	LEAKSDRTRAEIEY-TVTVEFKISA-N	409.014	4.904	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1	5244610	FHOLCFGGLKOBAC-FSEGOYHTSA-N	417.292	4.629	50	20	HJGD	
N#C/C(=C\c1ccccc1Br)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	6210705	ISTVZFSDPOAKSJ-FMIVXFBMSA-N	412.312	4.690	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1)c1cccs1	105773440	JFPGEMMFBAAIOZ-UHFFFAOYSA-N	405.401	4.776	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1	254569243	OOPYAZMLQNXIJX-UHFFFAOYSA-N	416.506	4.628	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCC(F)(F)F	261383923	JYNITYSYYYSAOD-SXGWCWSVSA-N	404.388	4.799	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1csc(-c2cccc(OC)c2)n1	301400540	VTXYBDYTHSLJMG-LFIBNONCSA-N	405.479	4.763	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(CCN2CCSCC2)cc1	302965735	AJNOIVNCYBIDFP-IBGZPJMESA-N	410.674	4.931	50	20	HJGD	
O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNc1c(Cl)cc(Cl)cc1Cl	725889124	FRHABCKVNODWEL-BASMTZLZSA-N	403.737	4.811	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1[nH]c2ccc(Br)cc2c1Cl	728716113	UGEKIISJPJIHOS-UHFFFAOYSA-N	418.600	4.758	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)cc1	730223247	ZXALRPYGZBMVLJ-UWCCDQBKSA-N	404.466	4.933	50	20	HJGD	
Cc1cc(C)cc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	730501494	DIROEMHRAVGLNJ-VXXMVYHMSA-N	405.542	4.685	50	20	HJGD	
CCOc1ccc(C(C)=NNC(=O)c2sc(-c3ccc(OC)cc3)cc2N)cc1	730557627	KSDRMMHGXXPUFR-UHFFFAOYSA-N	409.511	4.559	50	20	HJGD	
Cn1ccc2c(C(=O)NNc3ccc(Br)cc3C(F)(F)F)cccc21	731478018	WYRZPVFBPNOKKI-UHFFFAOYSA-N	412.209	4.717	50	20	HJGD	
COc1cccc(C[C@]2(C(=O)NNc3ccc(F)c(F)c3F)C[C@H]3CC[C@H]2C3)c1	735516510	SLXGXBGLRFTDKK-DFFLPILJSA-N	404.432	4.605	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCc2ccc(F)cc2)c(C)n1C[C@@H]1CCCO1	735604893	NMUHPOYEKRFJCM-YJADQXIJSA-N	410.489	4.506	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ncccc1C(F)(F)F	740096867	GRDZIEWWUATFLF-UHFFFAOYSA-N	414.746	4.613	50	20	HJGD	
CCCn1ccc2cc(NC(=O)/C(C#N)=C\c3cc(C)n(CCOC)c3C)ccc21	748738083	HBRGYFJTCQAMML-STZFKDTASA-N	404.514	4.662	50	20	HJGD	
COc1cc(C(C)=O)ccc1S[C@@H](C)C(=O)/C(C#N)=C1\Nc2ccccc2S1	749849403	QFOZHPZQQAZPQW-SYPKWCCASA-N	410.520	4.900	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1OC1CCCC1	752632088	IZACGUKFPYEMJC-UHFFFAOYSA-N	410.392	4.672	50	20	HJGD	
Cc1cccc2[nH]c(COC(=O)/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)cc12	754705790	XVTHOSIXYRJDFN-WYWXSHKMSA-N	417.509	4.724	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2O[C@@H]2CCOC2)c1C	760154132	KXSYKWHFEXJKPY-OKPNHQCWSA-N	407.514	4.618	50	20	HJGD	
COc1cccc(CN(C)C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762637413	SCMNQOQQOGVTJH-UHFFFAOYSA-N	424.391	4.950	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1	767007716	ONVPOTMPDJOETK-MSOLQXFVSA-N	400.320	4.578	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N(CCc1ccccn1)Cc1ccc(F)cc1	767948122	LGTOIFFYEKDKQV-SFHVURJKSA-N	407.327	4.602	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3ccc(C(C)(C)C)cc3)s2)cc1OC	768184828	KQVPFQMIDSUUSQ-UHFFFAOYSA-N	411.527	4.882	50	20	HJGD	
Cc1coc(-c2cccc(NC(=O)NNc3ccc(Br)c(F)c3)c2)n1	771180987	SUGKOIRCKZTAGY-UHFFFAOYSA-N	405.227	4.700	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](CCO)c2ccccc2)c(C)n1C1CCCCC1	776490634	XFAVLZYXVKVCPN-GOOXQAOHSA-N	405.542	4.757	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccccc1NC(=O)c1ccsc1	777480150	VQRRTTWUGLEUFZ-UHFFFAOYSA-N	402.479	4.614	50	20	HJGD	
C[C@@](Cc1nc2ccccc2s1)(C(=O)NNc1cc(Cl)ccn1)c1ccccc1	778448600	AXILVKRROZBXCH-QFIPXVFZSA-N	422.941	4.988	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccc(Oc3ccccc3)o2)c1	779774155	RROOPEHQIQZALL-UHFFFAOYSA-N	415.243	4.607	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1n[nH]c2c1CCCCC2	789794917	SELLVSAKJANUJO-UHFFFAOYSA-N	418.122	4.505	50	20	HJGD	
CN(Cc1ccccc1)C1CCC(=NNC(=O)c2ccc(Br)s2)CC1	797785665	ONNCWLCFLWXNOS-UHFFFAOYSA-N	420.376	4.671	50	20	HJGD	
Cc1cc(C)c(C(=O)NNc2c(Br)cccc2Br)c(C)c1	801504405	ZJRMDZDZNUWYFW-UHFFFAOYSA-N	412.125	4.894	50	20	HJGD	
CN1CCC(N(C)c2ccc(NCc3ccc(OCCCCl)cc3)cc2)CC1	811468971	PXJAWMCHVOJWPQ-UHFFFAOYSA-N	401.982	4.837	50	20	HJGD	
O=C(NNc1ncncc1F)c1oc2ccccc2c1CSCc1ccccc1	817081986	IHXOFZHVNZUORX-UHFFFAOYSA-N	408.458	4.552	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc(Cl)s3)cc2)n1	839386116	HPCCYBAUJZZVTO-UHFFFAOYSA-N	416.959	4.865	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2)c2ccccn2)c(C)n1CC(C)C	901004133	CIEQIEPXFAYEPJ-XXMKCSCWSA-N	412.537	4.969	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C)O[C@@H](C)C2	916568898	KWVWZJAHIRDQHE-OFXGXDKDSA-N	418.415	4.789	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCOCC2)c(C)n1-c1cc(Cl)ccc1Cl	917764146	QLZJQAZVYKFXPU-YBEGLDIGSA-N	418.324	4.603	50	20	HJGD	
CCCOc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(OCC)cc2)cc1OC	918590072	WCLKVJRGTSCWIY-LCJWNIEWSA-N	408.498	4.667	50	20	HJGD	
CCN(C(C)=O)c1nc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cs1	920067483	HGNMOXCMNZKNQX-OQLLNIDSSA-N	410.524	4.712	50	20	HJGD	
Cc1c(C=NNC(=O)c2ccccc2Cl)c2ccccn2c1C(=O)c1ccccc1	1115815574	HRWYCFORBRGMSW-UHFFFAOYSA-N	415.880	4.896	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(Cn3cnc4ccccc43)o2)c(C)n1CCC(C)C	1322138857	YKVOWXIVXXTKQJ-UDWIEESQSA-N	414.513	4.996	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cc2ccc(C(F)(F)F)cc2[nH]1	1324765128	VRIICRODOYXCIA-UHFFFAOYSA-N	416.186	4.568	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)s3)CCC2)cc1	1786442200	AOXKBFRCCTUWEK-MRXNPFEDSA-N	420.962	4.912	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1C	8237211	LSETXETVDHIWJL-GHRIWEEISA-N	404.445	4.573	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(C)ccc2C)c1C	22032082	JMFISYKHZRUSJW-FYJGNVAPSA-N	407.514	4.611	50	20	HJGD	
COc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc2c1O[C@@H](C)C2	27568929	XOKUCUDBEOMSSA-QMMMGPOBSA-N	401.677	4.736	50	20	HJGD	
Cc1nn(C)c2ncc(C(=O)Nc3ccccc3S[C@H](Cl)C(F)(F)F)cc12	97111250	ZUHGODGADAFLMT-INIZCTEOSA-N	414.840	4.748	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c(C)n1CC(C)C	728497948	LWCJHDYTYIGSPW-JAIQZWGSSA-N	404.514	4.581	50	20	HJGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	728696325	QVPCUMQWBHRVAR-LERPTODRSA-N	402.479	4.631	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cnc(Cc2ccc(F)cc2)s1	729515690	RKSOLEKDVLBGAM-UHFFFAOYSA-N	412.877	4.832	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc2ncccc12	730147504	VSBSJKHLRCZWIO-UHFFFAOYSA-N	402.435	4.635	50	20	HJGD	
Cc1c([C@@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C(C)C)oc2ccccc12	732705087	PJVCJWSOGBIBFU-NRFANRHFSA-N	416.481	4.631	50	20	HJGD	
COCC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	732778754	IGCWYBMAWUKJOH-NDENLUEZSA-N	411.933	4.540	50	20	HJGD	
Cc1c(-c2ccccc2)oc2c(C(=O)NNc3ncccc3Cl)cccc2c1=O	734247438	KWGHVBRVZZADQX-UHFFFAOYSA-N	405.841	4.574	50	20	HJGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	734865722	ZRJFPLYNQDTVCE-AWEZNQCLSA-N	415.419	4.503	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)cc1C	738556082	SJIVYNRUUXRKMK-CQSZACIVSA-N	409.477	4.519	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(SC)cc1OC	741165307	KBNXPYSZZIFJIY-SDQBBNPISA-N	406.866	4.764	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)C1(c2cccc(Cl)c2)CC1	741981323	BFLSMTCYCDUAKU-UHFFFAOYSA-N	401.638	4.556	50	20	HJGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1	745524768	JAZPIQGUHSLUKR-GOSISDBHSA-N	420.460	4.801	50	20	HJGD	
N#Cc1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)s1	748781789	AZRIMXKLXKMINT-UHFFFAOYSA-N	400.438	4.738	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	754147851	QUNXPANRARRNSU-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
CC(C)CC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	756686229	URZCJFOEGGKAKK-UHFFFAOYSA-N	417.375	4.559	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)NNC(=O)c3cc4ccccc4o3)ccc2C)c1	756774833	LNJQJKRHPVBHGP-UHFFFAOYSA-N	416.437	4.703	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)Nc1cccc(CCC(F)(F)F)c1	757619601	RDVPNIHKFMMMGB-UHFFFAOYSA-N	401.388	4.801	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(F)ccc2OC(F)F)c1C	760158216	GBTKXBZWUBLWIL-WJHGTXIHSA-N	421.419	4.599	50	20	HJGD	
CC[C@@H](C)n1ncc(C(=O)NNc2c(F)cc(F)cc2Br)c1C1CC1	760497916	PCBRMPKMPDQRDA-SECBINFHSA-N	413.266	4.529	50	20	HJGD	
Cn1cnc2cc(/C=C(/C#N)C(=O)Nc3nc(-c4ccccc4Cl)cs3)ccc21	761202900	ZBUGKKUSDJWWJQ-ZSOIEALJSA-N	419.897	4.896	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccccc1NCc1ccccc1	764605964	LEYOSRHNKFOUPB-UHFFFAOYSA-N	401.388	4.954	50	20	HJGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)c(Cl)c1	765412232	OUUMKLFGHAZXGB-UHFFFAOYSA-N	415.704	4.575	50	20	HJGD	
N#C/C(=C\c1ccccc1OC(F)(F)F)C(=O)Nc1nc(-c2ccncc2)cs1	767918856	ZONGJWHZXNSYIB-NTEUORMPSA-N	416.384	4.649	50	20	HJGD	
Cc1cc(Br)cc2cc(C(=O)NNc3ncccc3C(F)(F)F)oc12	768403545	XZOHAHKBJLAWNM-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc2nc(C(F)(F)F)cn2c1	770008598	AVRMCSMSCHPLNT-UHFFFAOYSA-N	407.154	4.556	50	20	HJGD	
COCCOc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1Cl	775545387	MSCCIXWSPPMJFT-UHFFFAOYSA-N	403.788	4.533	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc3ccccc3n2)c(Cl)c1	777460551	QZNSCBQCMZNOAO-UHFFFAOYSA-N	412.877	4.992	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc3ccccc3n2)nn1-c1ccc(Cl)c(Cl)c1	777465160	HVWREPBUMBHMBW-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
COCCC1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCC1	777995750	CYFHLVVRFXTVIX-UHFFFAOYSA-N	409.442	4.829	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cnc(Cc2ccc(F)cc2)s1	779210617	DFMPPXKXNKAWIG-UHFFFAOYSA-N	411.380	4.529	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1ccc2nc(C(F)F)[nH]c2c1	779444898	YSGVPIUVQXDSNJ-UHFFFAOYSA-N	401.295	4.548	50	20	HJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	783683163	HFZZHYUYBGRVBM-LFYBBSHMSA-N	417.657	4.893	50	20	HJGD	
COCCOc1ccccc1/C=C(\C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	787146514	YZILNVXMUBKKBP-DSQDWWTGSA-N	419.308	4.803	50	20	HJGD	
N#Cc1ccccc1Sc1ccccc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791149215	BBKXLTZLKNMVQB-UHFFFAOYSA-N	408.414	4.514	50	20	HJGD	
C[C@H]1OCC[C@]12CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CCO2	791866871	UPTGNVBNTPJLSC-ABAIWWIYSA-N	402.385	4.756	50	20	HJGD	
Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)C2CCOCC2)c1	794953988	QEHPRRMYCPCFSG-HAHDFKILSA-N	411.505	4.810	50	20	HJGD	
O=C1/C(=C/c2cccc(CCl)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1	799890797	YRZDXHXZXRRGAY-DHDCSXOGSA-N	412.820	4.586	50	20	HJGD	
CO[C@@H](C)c1nsc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)n1	800990308	QEYIWIYZTZHOFB-GYXHFJGISA-N	421.526	4.507	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)c1sccc1-c1ccccc1	802576751	GMTBXYZGDVJRHM-UHFFFAOYSA-N	419.531	4.542	50	20	HJGD	
CCC(=O)c1ccc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1	804208426	LFGAPAZGEGVABW-UHFFFAOYSA-N	414.387	4.512	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1cc(NCc2ccccc2)nc2ccccc12	807779320	MWWULDHKUYJAKV-UHFFFAOYSA-N	424.508	4.661	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1sc2ccccc2c1Br)c1ccccc1	810379174	RFPPZHAXNWYKBJ-ZDUSSCGKSA-N	417.328	4.619	50	20	HJGD	
N#C/C(=C\c1cscc1C(F)(F)F)C(=O)Nc1nc2ccccc2nc1Cl	811626438	INUSLWLFDNEOMF-WEVVVXLNSA-N	408.792	4.909	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1	812764835	JUZLLOGYISGTEZ-UHFFFAOYSA-N	421.501	4.645	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CC[C@H](O)C12CCCC2	814539718	GQLYCZFHZXZLQZ-UONOGXRCSA-N	408.873	4.817	50	20	HJGD	
Cc1cccc(Oc2ccccc2C(=O)Nc2cccc(NC(=O)NN(C)C)c2)c1	819552571	XSHLDGKKFKLOBH-UHFFFAOYSA-N	404.470	4.638	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)c1C	825747252	SUUSLEUITDODLE-WLJFKGHSSA-N	413.949	4.825	50	20	HJGD	
O=C(NNc1ncc(F)cc1F)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	857533007	DHUGXXHVNGHOOM-UHFFFAOYSA-N	411.195	4.611	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCc2cccc3cccnc23)c1C	898849749	VEGMWIJAKHFFQR-XQNSMLJCSA-N	400.526	4.719	50	20	HJGD	
CCOc1ccc(-c2nc(CC(=O)NNc3ccccc3C(F)(F)F)cs2)cc1	913479084	MWAZQQGCMKOFFQ-UHFFFAOYSA-N	421.444	4.913	50	20	HJGD	
C[C@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1	914526549	AHXWSMQKTPPFMX-ZDUSSCGKSA-N	421.913	4.848	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc([N+](=O)[O-])cc3)n2)c1	916129180	ZDSNDIWHCSGETL-YBEGLDIGSA-N	404.451	4.881	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc(Cl)c1	916279383	ZNXHOWGQLOIPFG-UHFFFAOYSA-N	404.209	4.926	50	20	HJGD	
COc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OCc1cccs1	917572559	ZUSKHJGZRPTXAZ-UHFFFAOYSA-N	400.887	4.753	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCCC[C@H]2c2ccccc2)c1C	917715558	ZCYIYEZKHKBXGG-ICBIFTLVSA-N	405.542	4.802	50	20	HJGD	
CCN(CC)C(=O)c1ccccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	919914375	PEUOXIAMESGNDK-UHFFFAOYSA-N	416.525	4.912	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1C	920267613	BXRVYFROMMMUTC-JMOSNPTESA-N	417.513	4.788	50	20	HJGD	
O=C(/C=C\c1cc(Cl)cc(Cl)c1)NNC(=O)c1ccc(Cl)cc1Cl	1115819301	SUTQRQCFYNWVKA-RJRFIUFISA-N	404.080	4.775	50	20	HJGD	
Cc1nn(-c2ccccc2)c2nc(Cl)c(C=NNC(=O)c3ccccc3Cl)cc12	1324460268	URBOULJWSKDJPN-UHFFFAOYSA-N	424.291	4.800	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccc2cnccc2c1	1788585231	WNIWBDOLJGOGBP-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCC=C3F)cc2)CCC1	1792379171	GRJJMMZMVPXSAR-HRAATJIYSA-N	410.892	4.884	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=S)Nc3cc(Cl)cc(Cl)c3)cc2C1	15151626	XHUXOBVNKXJWIR-VIFPVBQESA-N	414.383	4.811	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)cc(C#N)n1C	725742564	CFACKEWTDCKOQI-NNIWKIFQSA-N	410.477	4.782	50	20	HJGD	
O=P(CCN1CCCC[C@@H]1[C@H](O)c1ccccc1)(c1ccccc1)c1ccccc1	726975299	VLWVYPHYSSJXER-CLJLJLNGSA-N	419.505	4.589	50	20	HJGD	
C[C@H](CC(=O)NNc1c(Cl)cc(Cl)cc1Cl)NC(=O)C1CCCCC1	727290632	HVCRZKDILJRIQK-SNVBAGLBSA-N	406.741	4.565	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C	728314974	YWKUTEMYMHCPLR-QUYZQLMHSA-N	420.431	4.982	50	20	HJGD	
N#Cc1ccccc1COc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	728716276	JDOUOAJJKNUWIZ-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
O=C(NNc1ncccn1)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1	731122377	HMRKZMPTXMKCHB-QGZVFWFLSA-N	420.275	4.533	50	20	HJGD	
N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(CCCl)cc3)cc2)c1	731340444	OMRUMUGVDXGOMP-UHFFFAOYSA-N	412.898	4.933	50	20	HJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNc3oc(C(C)C)nc3C#N)cs2)cc1	732063925	ONJKARDMRJCUTD-UHFFFAOYSA-N	409.515	4.602	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1ccccc1	732713819	LJNMDXJMJJPRPH-SWEABUAFSA-N	421.298	4.624	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CCc2cccc(F)c2)C2CC2)c1C	733765119	YJXQVTCVFWNIFF-SDLXJUDFSA-N	423.532	4.592	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(OCC(F)(F)F)cc1	733806673	JDAISWFYBOXVTI-UHFFFAOYSA-N	423.616	4.801	50	20	HJGD	
O=C(NNc1c(F)cccc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	735757942	GTCDAUMTEAFZOV-YUMQZZPRSA-N	405.289	4.500	50	20	HJGD	
CCc1nc([C@H]2CCCCN2C(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)no1	737624955	MZQLLNGZRBFACS-OKPNHQCWSA-N	423.561	4.757	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@H](c3ccccc3OC)C2)c1C	737746902	OAVRGAXEENFXMG-INKLHFNDSA-N	405.542	4.837	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c(SC)cc1OC	741165501	MVCAHYULJRULHW-MDWZMJQESA-N	422.428	4.990	50	20	HJGD	
CCc1noc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)n1	741817298	CYZPFZIOTPQYLI-DAQNXSASSA-N	404.470	4.559	50	20	HJGD	
Cc1nn(C)c(C)c1CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	743084973	UGMBIZLGMZZXDC-CQSZACIVSA-N	406.861	4.578	50	20	HJGD	
C[C@@H](c1ccco1)N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	747000766	SBDNMAHHLQJJRB-MGPLVRAMSA-N	420.840	4.657	50	20	HJGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)c1sc(-c2cccnc2)nc1C	747607125	GJXAMZHOEJAYAD-UHFFFAOYSA-N	401.495	4.524	50	20	HJGD	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNc3cccc(C#N)c3)cc12	748044467	PERSCJPXLKDDET-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748710365	SIVMKHRKKTXAPB-UHFFFAOYSA-N	424.810	4.532	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ncccc1OCC(F)(F)F	752264687	DUYAPQWOQUIAFR-UHFFFAOYSA-N	414.598	4.740	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1nc(-c2ccco2)sc1C	753178219	SOAIZJPNCUXISD-UHFFFAOYSA-N	406.305	4.793	50	20	HJGD	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	759973465	LXEWYOGFMCRYLZ-NSHDSACASA-N	409.795	4.583	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)on1)Nc1ccc(-c2ccccc2)cc1	762184405	ICZVDKPWQAPSIP-UHFFFAOYSA-N	416.412	4.614	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c(OCc2cccnc2)c1	766482712	DHNJHTFQTZXEBL-CIAFOILYSA-N	413.477	4.832	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)/C(=C\c1ccc(F)cc1)c1cccs1	771551873	HDCUENMAMNKQBX-GDNBJRDFSA-N	418.291	4.729	50	20	HJGD	
CCn1nc(C)c(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1C	773457853	FNSYBTQTYWALPH-UHFFFAOYSA-N	412.384	4.754	50	20	HJGD	
Cc1cc(C(=O)NNc2ncc(Cl)cc2Cl)nc(-c2ccc(Cl)cc2)n1	775270621	MAZJFJDVVIIDCA-UHFFFAOYSA-N	408.676	4.564	50	20	HJGD	
CC(C)Sc1cc(Br)ccc1/C=C(\C#N)C(=O)NCc1ccco1	779706953	JSSPORLESSREFA-RIYZIHGNSA-N	405.317	4.766	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)c1Cl	782368387	DOCHQHUJSWBPLQ-TWGQIWQCSA-N	407.701	4.901	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCN(C2CCCC2)CC1	782983728	PEQQPBVEQQNSHE-UHFFFAOYSA-N	420.469	4.593	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c1	783359422	PTCSATPOSYDPFD-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
CCCOc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cccc1OCC	787151243	LBCCOGRUTPQWNJ-AWZALFRUSA-N	408.498	4.667	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)c(-c2ccncc2)n1	788363923	YVQRZERZUJNKBO-PDGQHHTCSA-N	409.474	4.863	50	20	HJGD	
N#C/C(=C\c1cnc(-c2ccc(Cl)cc2)s1)C(=O)NCc1ccc(F)c(F)c1	789148050	MWZIKWYSPUUBCU-RIYZIHGNSA-N	415.852	4.965	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ccccc2Br)c1C(C)C	790806532	HGWBQQQNYCQHMZ-UHFFFAOYSA-N	413.319	4.824	50	20	HJGD	
C[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C[C@@H](C2CC2)O1	791729426	NIJRGDCHNISYCS-DGFSRKRXSA-N	408.873	4.937	50	20	HJGD	
CCn1c(SCC(=O)NN=C2CCC3(CC2)CC3)nnc1-c1ccc(Cl)cc1	792635958	ZCIIMNKTVQLERF-UHFFFAOYSA-N	417.966	4.537	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(F)cccc2Br)c1	794463708	AMZVVHKKMHYVKR-UHFFFAOYSA-N	407.283	4.549	50	20	HJGD	
Cc1cnn(C)c1/C=C(\C#N)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1	794686430	OTJVMAZEJBBMER-WUXMJOGZSA-N	418.309	4.705	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1	794687021	DWGJBPQMASMABN-GZQZNAIASA-N	410.399	4.675	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2occc2C(=O)O)cc1)C(=O)c1ccc2ncccc2c1	794964905	KOUIYPDHQZNSTK-XDHOZWIPSA-N	424.412	4.895	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1cnnc2ccccc12	798108710	ABAKTVLQJDFVAE-UHFFFAOYSA-N	414.252	4.657	50	20	HJGD	
O=C(NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)c1nnc(-c2ccccc2)o1	799478179	VARGCPAZJFFOJM-HNNXBMFYSA-N	414.387	4.809	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1	799759373	NGLCAQNPGYFRAW-QHCPKHFHSA-N	417.509	4.668	50	20	HJGD	
CO[C@H](C)c1nsc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)n1	800991021	WWDKKRQJJXQNCX-YCPFAOKUSA-N	421.526	4.507	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CSc2nnc(CO)n2C2CC2)cc1	806591723	YFMVWMBGQJJVKC-UHFFFAOYSA-N	405.640	4.919	50	20	HJGD	
C=C(CNC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1	807582194	VVTGYWIREZTVOU-UHFFFAOYSA-N	422.488	4.559	50	20	HJGD	
O=S(=O)(NC[C@@H]1COc2ccccc21)c1ccc(S(F)(F)(F)(F)F)cc1	808347777	BKNJAANFBAVGQQ-LLVKDONJSA-N	415.405	4.799	50	20	HJGD	
CC[C@@H]1c2ccsc2CCN1C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	810149810	FLAXBJJLQWQGDR-ULLHUGNTSA-N	411.571	4.817	50	20	HJGD	
CC(C)[C@@H](NCc1ccc(OCCCCl)cc1)c1nc(-c2ccncc2)no1	811487467	XZBMDAXHMSGUBG-LJQANCHMSA-N	400.910	4.626	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc(C(F)(F)F)c1	817015180	PLYDZNCUJJHZDV-UHFFFAOYSA-N	417.231	4.895	50	20	HJGD	
CC(C)(C(=O)NNc1cc(C(F)(F)F)ccn1)c1csc(-c2ccccc2F)n1	857514030	PDYWRJLXUOZZPK-UHFFFAOYSA-N	424.423	4.784	50	20	HJGD	
CSc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1	914464899	VFPDVDXVURSKAQ-JXAWBTAJSA-N	413.506	4.731	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCc2csc3ccccc23)c1C	916456648	KSHPQAZMLFCJJP-KKJJZKEWSA-N	421.566	4.793	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)cc1Cl	916490640	IVYMIVUWVPAEPO-BFERYNQYSA-N	415.921	4.910	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(OCC(C)C)c(OCC)c2)n1	920386448	AQTYUAKUTBOIAH-SXGWCWSVSA-N	400.500	4.817	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)c(Br)cc1O	921269538	OBDJLKCOBOEGRY-MLPAPPSSSA-N	411.255	4.743	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc([S@](C)=O)cc3)c2C)c1	1116135011	AMSPKAQTQNRVOK-UBYRCBJFSA-N	417.534	4.686	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(CNC(=O)c3cccs3)o2)c(C)n1CCC(C)C	1257931055	PHWVZKZPKXCAHM-WOJGMQOQSA-N	423.542	4.590	50	20	HJGD	
CC(CCc1cccc(C(F)(F)F)c1)=NNC(=O)c1cncn1-c1ccccc1	1319987328	JQRCNXQFNVNGTB-UHFFFAOYSA-N	400.404	4.630	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(C)n(Cc2ccco2)c1C	1325283435	NQUABOWDEPMHTA-UHFFFAOYSA-N	416.319	4.828	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)nc3F)cc2)CCC1	1785763879	YHYDPIXJIRNSAN-MRXNPFEDSA-N	421.875	4.515	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nc(Cl)ccc3F)CCC2)cc1	1790488066	SEWHFMAINADALU-AWEZNQCLSA-N	424.303	4.639	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1824010884	HWNWAMSAYUYDOG-HXUWFJFHSA-N	411.030	4.842	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cs2)CC1	1824608911	DJIGXVDTYSJAAV-ROUUACIJSA-N	411.011	4.697	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)CC1	1831560962	ILWFMDGKZXSZGW-AFYVEPGGSA-N	414.993	4.747	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(Cl)Cl)CC1	1831880940	OSFMDXVURWBXLM-DOTOQJQBSA-N	405.410	4.626	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccccc1SCc1cccs1	16177370	PTSMDEUWJSDMSQ-UHFFFAOYSA-N	416.955	4.698	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1	214858662	WVWNMTHMNGEEKD-KQWNVCNZSA-N	410.473	4.675	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(Oc2ccc(Br)cc2)nc1	729280723	MZVFUBNCXVQZJW-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2sc(C)nc2C)c1C	730202874	SFWIMOHZKDDVDM-ZBNZRFBESA-N	414.575	4.512	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	730590467	NFKIOWCCXOIWHJ-RBUKOAKNSA-N	413.304	4.640	50	20	HJGD	
C#CCOc1cccc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)c1	730702084	XMCPWTGTJONJPP-HPDSVDGFSA-N	420.509	4.536	50	20	HJGD	
C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1CCP(=O)(c1ccccc1)c1ccccc1	732209699	NMMOBVWHTRRPHO-UFPGJGBJSA-N	419.505	4.851	50	20	HJGD	
Cc1ccc(OCc2nc(C=NNC(=O)NCc3ccc(Cl)cc3)cs2)cc1	732927873	ZBENSRLEUQNNEO-UHFFFAOYSA-N	414.918	4.517	50	20	HJGD	
COc1cccc(C[C@]2(C(=O)NNc3nccc4sccc34)C[C@H]3CC[C@H]2C3)c1	735520498	LSMYSCAVZMXASJ-QQMNAOGKSA-N	407.539	4.797	50	20	HJGD	
C[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ncc(-c2ccccc2)o1	739978527	XCXQJXILTDBWLH-HNNXBMFYSA-N	404.919	4.553	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1	743819906	KHQJRYVTKQOXCT-HOTGVXAUSA-N	408.354	4.732	50	20	HJGD	
CC(C)(C)C[C@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1	745525807	JSYZFJMPXZMWGP-KRWDZBQOSA-N	420.460	4.801	50	20	HJGD	
COC(=O)c1cc2c(/C=C(\C#N)C(=O)c3cc4ccccc4o3)ccc(OC)c2o1	749000276	WPXYGWJVBFKVSO-OQLLNIDSSA-N	401.374	4.764	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(-c4ccccc4)nn3)c(F)c2)cc1	754467766	PSYSWBSASWKKPT-UHFFFAOYSA-N	414.440	4.715	50	20	HJGD	
N#Cc1ccc(C(=O)NCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762605379	MODFZKILIGAPLR-UHFFFAOYSA-N	405.348	4.584	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@@H]1CCCC2(C1)OCCO2	767558779	FBRUVENGQAKPQO-BXUZGUMPSA-N	424.872	4.713	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	768916138	SONZIDVZRRXVRF-CBIIRDDDSA-N	407.514	4.618	50	20	HJGD	
CCc1cc(NNC(=O)c2ccc(Cl)cc2C(F)(F)F)nc(-c2ccccn2)n1	771734692	HHRWFJKFXJRFMX-UHFFFAOYSA-N	421.810	4.530	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)c(Sc2ccccc2)n1	775255005	ZHROGZYVKLUFHJ-UHFFFAOYSA-N	404.417	4.712	50	20	HJGD	
COc1cccc(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777884183	KNYUVIMTBBNCLI-UHFFFAOYSA-N	417.421	4.874	50	20	HJGD	
COc1ccc(NNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)nc1	781536307	ZPIMPPKUPYLOCL-UHFFFAOYSA-N	402.479	4.638	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccc(Cl)c(F)c1)OCc1ccccc1	782018483	MSYXIMKXKPGQJL-UHFFFAOYSA-N	413.836	4.985	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C	783446144	HSAQFRGYIQWKKG-KRWDZBQOSA-N	421.472	4.664	50	20	HJGD	
CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NNc1ccc(Cl)c(F)c1	785179520	DLXYWVVNHGYZCI-UHFFFAOYSA-N	416.305	4.715	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)c(F)c2)cc1	786051690	CFUCSKUPHOJHLR-XDHOZWIPSA-N	404.416	4.864	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)nc(Cl)c2)c1C	787939551	RXXQKBRYYGMFHB-FCGPPKDQSA-N	407.301	4.560	50	20	HJGD	
CN1[C@H]2CC[C@H]1CC(N(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C2	796125368	GAFBWKRTJJBXLO-RYUDHWBXSA-N	420.469	4.590	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1	810153598	GSZYYLZGAHELKV-UHFFFAOYSA-N	403.851	4.514	50	20	HJGD	
Cc1csc(Sc2ccc(C(=O)NNc3ccccc3Cl)cc2[N+](=O)[O-])n1	912646699	OJVKTDJKZBGCOH-UHFFFAOYSA-N	420.903	4.921	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3F)c2C)c(C)c1	915984262	URIGATZVRSZQDQ-YVLHZVERSA-N	406.436	4.930	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(=O)NCC)ccc2C)c1C	916081347	SZVDWASVMSFAMM-BKUYFWCQSA-N	406.530	4.509	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cs1	917561347	CAKHNOBCLALPPB-JMDRUWHMSA-N	422.554	4.738	50	20	HJGD	
O=C(NNc1ccc(F)cc1)[C@@H](Oc1cccc(Br)c1)c1ccccc1	918014420	ZWQAXZCRCBDVNU-IBGZPJMESA-N	415.262	4.852	50	20	HJGD	
COc1cc([C@H](C)NC(=O)NNc2ccc(F)cc2)ccc1OCc1ccccc1	918232656	LXNDLJJKSOTQIK-INIZCTEOSA-N	409.461	4.801	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3Cl)CCC2)cc1	1786441745	AOMRGUJNATWVNI-KRWDZBQOSA-N	420.340	4.890	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C)n3)CCC2)cc1	1786442683	MUZXRTREESMLGO-KRWDZBQOSA-N	417.912	4.684	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c(F)c3)cc2)CCC1	1790651287	ZRIMJIRMKIUYQO-QGZVFWFLSA-N	418.896	4.687	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)[C@@H](C)CC	1795567914	NKPPHQRIBINDCH-BGOZWBLRSA-N	419.009	4.862	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)c1C	727339921	IFHTUQLEPBBQTR-LDADJPATSA-N	423.517	4.803	50	20	HJGD	
Cc1ccccc1-c1nc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cs1	727366658	PUMYJKDJLLZQAV-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
C/C(=C/C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1	727791785	WDRANMSATJBQND-KTKRTIGZSA-N	417.214	4.877	50	20	HJGD	
C[C@@H](Sc1nnc(-c2ccccc2)s1)C(=O)C(C#N)=C1Nc2ccccc2N1	729941888	ZWTCLBOZBJEJSK-GFCCVEGCSA-N	405.508	4.528	50	20	HJGD	
CC(C)(C)c1ccc(OCc2ccc(C(=O)NNc3nccnc3Cl)cc2)cc1	734260634	ZVVBVTZJLPHLJN-UHFFFAOYSA-N	410.905	4.763	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCOC[C@H]3c3ccco3)c2C)c1	735026326	ZUKGPSLOVCKPKT-CVGPFBNFSA-N	415.493	4.503	50	20	HJGD	
Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743825747	BLRVXRFLNJAUNO-UHFFFAOYSA-N	414.387	4.542	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	744845204	NOMJPZFINLHBIL-QINSGFPZSA-N	406.829	4.893	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cc(-c3cccs3)nc3ccccc23)o1	746303245	NVMPOKVAOJXMMW-UHFFFAOYSA-N	403.467	4.703	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cn(-c2ccccc2Cl)nn1	748673159	ZIMXSTHXMFYJSU-UHFFFAOYSA-N	411.918	4.871	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c(C)n1C[C@H]1CCCO1	751350747	DATDGPQNDXOJCB-NUHWIGMWSA-N	417.553	4.596	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1csc(Cc2ccc(F)cc2)n1	754149508	FOYOGXRBVGBFPC-UHFFFAOYSA-N	413.371	4.788	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccc2[nH]c(-c3cccs3)nc12	759970302	CPLNQCFNRKMBBK-UHFFFAOYSA-N	418.400	4.947	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccccc2NCc2ccccc2)c1C	763545751	JIQHLQZSTVBUAC-UHFFFAOYSA-N	404.539	4.547	50	20	HJGD	
CSc1nc(-c2ccco2)nc(C)c1C(=O)NNc1c(Cl)cccc1Cl	763625046	TVIOUBFAPMOQFJ-UHFFFAOYSA-N	409.298	4.831	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc([S@@](C)=O)c(F)c2)c(C)n1CCC(C)C	765101630	ZXMJBODPEQBSKA-RZRGDOCTSA-N	415.534	4.573	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1oc2ccccc2c1CSc1ncccn1	771693207	YFRJSPJTLAAXLR-UHFFFAOYSA-N	408.458	4.720	50	20	HJGD	
COc1ccc(C=O)c(OS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777876381	XPCMRCPRXMMPAL-UHFFFAOYSA-N	418.361	4.933	50	20	HJGD	
Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4CC=C(C#N)CC4)cc3)sc2c1	779589928	ITTGOJVVDRMAQZ-MRXNPFEDSA-N	402.523	4.754	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)c(C)n1CC(C)C	781060422	UWKITWUKDFYRDP-ZXJHQIPZSA-N	407.562	4.639	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)nc1	781536159	SDQQQNBVWRPYPY-UHFFFAOYSA-N	406.244	4.960	50	20	HJGD	
Cc1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1C(N)=O	782911277	VBOVQKRGVIEYKJ-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
O=C1CC[C@@H](C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n2cccc21	790718532	SYEUHURTWPAEEQ-BLLLJJGKSA-N	402.825	4.864	50	20	HJGD	
Cc1cc(NNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ncn1	798110083	AMRAPAVXBJNWHI-UHFFFAOYSA-N	406.273	4.627	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1csc(-c2ccc(Cl)s2)n1	798143070	GDESBSWRSJBKOT-UHFFFAOYSA-N	414.343	4.849	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	801647247	GZOZAFVGXNHCRK-GXDHUFHOSA-N	412.280	4.737	50	20	HJGD	
O=C(NNC(=O)c1cnc(Cc2ccccc2)s1)Nc1ccc(Cl)cc1Cl	802089861	HHNGSRCTSPHJLB-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c(Cl)c1	804211821	YPFTVXFSZNVFPQ-UHFFFAOYSA-N	406.795	4.881	50	20	HJGD	
CCc1nc(NC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)sc1C	806314471	ZCRKMMPJXVLJCH-UHFFFAOYSA-N	422.436	4.638	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1nc(Br)sc1C1CC1	806983243	TXOHNNKSKBBPHG-UHFFFAOYSA-N	407.120	4.847	50	20	HJGD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NNc1cccc(Cl)n1	815727473	ZXLVJBLHINXPBH-UHFFFAOYSA-N	418.950	4.550	50	20	HJGD	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(C)CC(Cl)Cl	816628676	GAFISXACNUBXMT-UHFFFAOYSA-N	409.144	4.601	50	20	HJGD	
O=C(NN=C(c1ccccc1)c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1	821701029	YCAUYBBVLRDAEY-UHFFFAOYSA-N	424.504	4.613	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1OC	855399470	LXAUXVUCYLDJFZ-STZFKDTASA-N	421.541	4.851	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(C(C)C)no2)c(C)n1-c1ccc(F)cc1	914893709	VMAHWCSMTXNIQK-YCPFAOKUSA-N	422.460	4.951	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1C	915863247	SLLSZRAGOWAKER-ZDLGFXPLSA-N	407.436	4.522	50	20	HJGD	
COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1	916141917	UQYVDWZEETZIFC-WDZFZDKYSA-N	407.253	4.565	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CCCCc2ccccc2)c(C)n1C[C@@H]1CCCO1	916484510	AOYYVSWHBGLOMB-LUPSEXQWSA-N	419.569	4.672	50	20	HJGD	
CSc1ccc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1	916559426	BWQKCCOEBPOOCG-UHFFFAOYSA-N	419.881	4.712	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Oc2ccc3ccncc3c2)c(-c2ccccc2)n1	916860730	KQPFARLGKWSFMC-MOSHPQCFSA-N	419.444	4.525	50	20	HJGD	
CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCCC[C@@H]1CCSS1	918703469	ZNZOOBFCSQTNFJ-WOJBJXKFSA-N	407.649	4.609	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNC(=O)c1ccccc1Cl	1317672140	PMYRVZUVGMRYKD-UHFFFAOYSA-N	421.715	4.964	50	20	HJGD	
C[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1nc(C(C)(C)C)cs1	1338686902	VNRPPNWHHNEDHY-ZDUSSCGKSA-N	400.997	4.652	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C)CCC2)cc1	1786444018	MHBXDTDOKSMWKT-MRXNPFEDSA-N	405.951	4.607	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)cc1	6065325	OOHAAQBASGABSM-CAPFRKAQSA-N	418.493	4.511	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(OC)c2)ccc1OCC(C)C	6209951	YMUJRRNQIQYUTE-WOJGMQOQSA-N	424.497	4.683	50	20	HJGD	
O=C(COC(=O)CCCC[C@H]1CCSS1)Nc1ccccc1Br	6399273	QMVZPOYXLZVXGQ-LBPRGKRZSA-N	418.378	4.645	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2Br)cc1	7159257	DYLGBNXTMPRGBT-OQLLNIDSSA-N	415.287	4.574	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c3c(c2)OCCCO3)cc1Cl	17473490	IFCFXKBBGMCLNC-NTUHNPAUSA-N	419.264	4.709	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC(F)(F)F)c2)c1C	105720621	MGIUNMMYSAQFNQ-DUPVFGOHSA-N	421.419	4.757	50	20	HJGD	
Cc1cc(C)c(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(C)c1	108185130	QPMHGFUKLBZCPR-JJFYIABZSA-N	421.541	4.775	50	20	HJGD	
Cc1ccccc1CC(C)(C)NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	303236890	ZZVXIZQFUJWTJD-BJYRUZDYSA-N	419.569	4.637	50	20	HJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c(C)c2C(=O)OCC)cc1Cl	727263713	GKERPLHDCXGZTJ-MHWRWJLKSA-N	412.873	4.816	50	20	HJGD	
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CCCC[C@@H]1CCSS1	727393370	SQVXAYCGIICVSJ-QGZVFWFLSA-N	424.657	4.837	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c1C	727395754	NOJRDHPELNGVPZ-FJWZAKCXSA-N	409.505	4.551	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nn1)C(=O)Nc1ccc(Oc2ccccc2)cc1	728696057	LLYHNHGFLRBEPF-OBGWFSINSA-N	407.433	4.605	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cc(C)c(C(=O)O)o2)cc1	729936630	FFJXFLZXEBQCMG-PDGQHHTCSA-N	416.433	4.719	50	20	HJGD	
O=C(CSc1ccccc1)NNc1ccc(Br)cc1C(F)(F)F	731477318	DAENLRXXPJTPAL-UHFFFAOYSA-N	405.239	4.703	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)cs1)C1CC1	734307320	XBJIDLPYEPHSGH-XFFZJAGNSA-N	421.309	4.511	50	20	HJGD	
O=C(/C=C/C1CCCCC1)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	735522290	XBNABFGJJWWUGB-RMKNXTFCSA-N	405.873	4.813	50	20	HJGD	
CC(C)(C)OC(=O)NC1CCC(NC(=O)CCCC[C@H]2CCSS2)CC1	739792264	TWFGWKBVALBIDW-GPANFISMSA-N	402.626	4.653	50	20	HJGD	
CC[C@H](NC(=S)NNC(=O)Nc1ccc(Cl)cc1Cl)c1cccs1	741502498	KQCPNBDDGDJVSB-NSHDSACASA-N	403.360	4.707	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(CCC#N)Cc3cccnc3)c2C)c1	741937815	WVGIQYOLRGRGHA-IWIPYMOSSA-N	423.520	4.647	50	20	HJGD	
Cc1c(C(=O)/C=C\c2cnn(CCCl)c2)cnn1-c1ccc(Cl)cc1Cl	743056573	ZGNGXFWHKXITEZ-DJWKRKHSSA-N	409.704	4.819	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3[C@H]4CCCO[C@H]4C3(C)C)cc2)cc1	743423507	RWDDDHOSPKBMGJ-FYYLOGMGSA-N	422.525	4.585	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1OC	743601737	HPTNVNJXQSTJNJ-OAQYLSRUSA-N	418.497	4.849	50	20	HJGD	
Cc1nnc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)o1	744479014	UUOGIQHJXHIVGT-DUPVFGOHSA-N	410.861	4.650	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)c2)n1	746894783	PGSBHMMWGYGXGD-UHFFFAOYSA-N	402.401	4.766	50	20	HJGD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)NNc2ccc(Cl)cc2Cl)cc1	748008586	YWPQENBKSVFAHI-GFCCVEGCSA-N	412.342	4.505	50	20	HJGD	
CCOc1ccccc1[C@H](CC)NC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	751196963	FONRGPSCDUZIQJ-FWMOMEHNSA-N	423.557	4.886	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2cc(Cl)ccc2Cl)nn1-c1ccccc1F	752810037	MKBONPMECXHJNH-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
CSc1cc(Br)ccc1/C=C(/C#N)S(=O)(=O)c1ccc(C)cc1	755699923	OODZPHGKLMAELL-SXGWCWSVSA-N	408.342	4.818	50	20	HJGD	
COc1ccc(C[C@@H](C)CN(C)CCP(=O)(c2ccccc2)c2ccccc2)cc1	761740795	RTPCSFYNQLEPDH-JOCHJYFZSA-N	421.521	4.820	50	20	HJGD	
CC(C)c1nc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c2ccccn12	762605005	RYZSKKSODLJXMY-WJDWOHSUSA-N	414.494	4.522	50	20	HJGD	
CCCC[C@@H](COC)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762657892	KJGCKHJHBVQKMC-LBPRGKRZSA-N	404.401	4.604	50	20	HJGD	
C[C@H]1CN(CCCNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H](C)O1	762980311	OSSVQSVMMRMDAS-BETUJISGSA-N	417.444	4.965	50	20	HJGD	
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SC/C=C\C#N)cc1Cl	763300335	KFWFDLGLXLFPFM-NQISXPPASA-N	415.927	4.967	50	20	HJGD	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)NNC(=O)OC(C)(C)C	765180553	UVOPSXDZBXEXGO-UHFFFAOYSA-N	405.882	4.789	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2nc(-c3c(F)cccc3F)cs2)cc1	768010258	IPFFTQKLSDSAOL-ZROIWOOFSA-N	412.417	4.747	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)c([N+](=O)[O-])c1	768331821	HUWPYXQPYJMMMM-UHFFFAOYSA-N	415.808	4.820	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1cccc(-c2nccs2)c1	769982394	OOBHJGYFJBVRQC-UHFFFAOYSA-N	407.268	4.860	50	20	HJGD	
CCCCOc1cc(OC)ccc1C(=O)NNc1ccc(Br)c(F)c1	771682779	YHUQCXQAVRXWNB-UHFFFAOYSA-N	411.271	4.533	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccccc1CSc1nc2ccccc2o1	772859619	FNDOTIMSRKWXAE-UHFFFAOYSA-N	419.510	4.790	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)c(Br)cc1O	773146094	VZPUZDCDGRNCGV-NYYWCZLTSA-N	410.626	4.746	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2sc(-c3ccccc3C)nc2C)c1	773766531	OOHUZHDGBNAJIG-UHFFFAOYSA-N	410.568	4.675	50	20	HJGD	
O=P(CCN[C@H](c1ccccc1)C1CCOCC1)(c1ccccc1)c1ccccc1	775441627	KNKRDLKZFYGWCS-AREMUKBSSA-N	419.505	4.758	50	20	HJGD	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NNc2ncc(Cl)cc2Cl)c1	775623376	JHXWOFCLTDCXAI-SANMLTNESA-N	415.346	4.584	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNc3ccc4ccccc4n3)cc12	777463250	KWMODAUHHTYTGZ-UHFFFAOYSA-N	417.469	4.840	50	20	HJGD	
CC(C)Sc1cc(Br)ccc1C=NNC(=O)COCc1ccccc1	779773198	UMLZNJBIHULYQM-UHFFFAOYSA-N	421.360	4.617	50	20	HJGD	
Cc1sc([C@H](C)NC(=O)NNc2ncncc2Cl)nc1-c1ccc(Cl)cc1	781005102	UIMVHQRDNLJQLC-VIFPVBQESA-N	423.329	4.603	50	20	HJGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	782082869	NGTRDFYUSDLYFE-UHFFFAOYSA-N	416.890	4.695	50	20	HJGD	
CCN(CC)C[C@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782979780	LGCGNJLDHDVSSH-CYBMUJFWSA-N	422.485	4.696	50	20	HJGD	
CO[C@@H](C)CN(C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(C)C	784982698	YSEAKYIGJQAKLS-NSHDSACASA-N	404.401	4.554	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(COc3ccc(C)cc3C)o2)ccc1Cl	790168543	NJRLCLDGMINKNG-UHFFFAOYSA-N	400.862	4.894	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2cc(F)cc(OC)c2)c(OC2CCCC2)c1	790809550	ZFIMHVQQEXSCMB-UHFFFAOYSA-N	402.466	4.701	50	20	HJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)Nc1c(Cl)cccc1Cl	794869432	KOXCNFZARZDLDD-ZRDIBKRKSA-N	401.228	4.864	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	794957875	ISNQBOPUBXVVOJ-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
Cn1c(Cl)cnc1C=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	799467555	BYZKZQSGGFIHRQ-UHFFFAOYSA-N	424.291	4.706	50	20	HJGD	
Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812241488	FJOAUFKAVJCMCL-NTEUORMPSA-N	424.258	4.619	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1	815004984	OVWYSNSJPGQAPZ-UHFFFAOYSA-N	419.934	4.602	50	20	HJGD	
Cc1ccc(SCC(=O)NNC(=O)c2sc3cccc(C)c3c2Cl)cc1	871537380	VBDLGSAXZYNFOD-UHFFFAOYSA-N	404.944	4.725	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2cccnc2)Cc2ccco2)c(C)n1CC(C)C	874962905	QISOJIZREHHUOB-FSJBWODESA-N	416.525	4.885	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(OC(F)F)cc2)c(C)n1CC(C)C	912664227	GUSWCQVAAKRJLB-RGVLZGJSSA-N	415.484	4.928	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1C	914512180	KHVHYXOSGIMZFR-UQTDQPHJSA-N	417.553	4.727	50	20	HJGD	
CCCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)ccc1OC	915851836	CVPVYLYJVODABT-PTNGSMBKSA-N	422.872	4.626	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Cl)c1O	915990336	NDJYOOAUKPYZDH-KPKJPENVSA-N	421.678	4.752	50	20	HJGD	
Cc1cccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)c2ccccc2F)c1	916291106	NWMNNBPKRXJMSS-UHFFFAOYSA-N	412.468	4.810	50	20	HJGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c(C)s1	916479546	AODXOSPOCBVHNT-CYBMUJFWSA-N	405.589	4.791	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3ccc(N)cc3)s2)cc1Cl	916540482	ZQDFEUCZKDANPN-UHFFFAOYSA-N	420.325	4.848	50	20	HJGD	
CCC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccccc1	917369284	BFMOKPHRBYSBAQ-ZYBMPSBHSA-N	405.542	4.849	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1	918564851	AFYMEPYTIDQXHN-QFXXMJIKSA-N	423.944	4.599	50	20	HJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNC(=S)Nc1cccc(Cl)c1	1119096295	SOBLBCNVKZFDBC-UHFFFAOYSA-N	414.918	4.750	50	20	HJGD	
O=C(CCl)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1	1253963059	KFKZFSHYMOHWDH-HNNXBMFYSA-N	403.762	4.509	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c(C)n1C1CCCCC1	1318739707	GWSBUJIDWYORLK-RGVLZGJSSA-N	418.497	4.968	50	20	HJGD	
COc1ccccc1/C=C(\C(=O)NNc1cncc(Br)c1)c1ccccc1	1319528880	LBJSEOQUZRBVAC-ODLFYWEKSA-N	424.298	4.537	50	20	HJGD	
C/C(=C\c1cccs1)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1785819459	VENHSLKWNCQYBV-GZKZCVOOSA-N	406.910	4.820	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1	1786076437	PONLJLMCETZVEZ-CRAIPNDOSA-N	419.363	4.650	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)n3cccc3)CCC2)cc1	1786446114	GLQNRIMQAQPYNZ-APWZRJJASA-N	401.938	4.591	50	20	HJGD	
CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)CCBr)cc3)CCC2)CC1	1787673300	UVPFXNXCANOYMB-MRXNPFEDSA-N	419.363	4.652	50	20	HJGD	
Cc1ccc([C@H](C)C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)cc1	1788587647	KTQRQIGNEUCCIG-HNAYVOBHSA-N	402.897	4.767	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824013704	QILOBFJZSSYTBF-PMACEKPBSA-N	409.014	4.640	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1	1830305503	RPLZPNDXTDFAHI-FKBYEOEOSA-N	419.009	4.817	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)c1ccc(F)cc1	18918176	IMEAFQBYTPQITF-FYJGNVAPSA-N	408.436	4.922	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)c(OC)cc2OC)c1C	208673435	JXEDXTFOJZPOAR-SXGWCWSVSA-N	401.894	4.731	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc(N)nc(Nc2ccccc2)n1	209651777	ZYEAEZUIDJJGFB-HKWRFOASSA-N	420.476	4.841	50	20	HJGD	
Cc1ccc([C@@H](CNC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)N2CCCC2)o1	725744471	OKTKEYPEJHLVQL-ZWULCIMOSA-N	422.573	4.523	50	20	HJGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NN(Cc1ccccc1)c1ccccc1	726910141	DKHAEAKACQUCTG-UHFFFAOYSA-N	403.507	4.992	50	20	HJGD	
Cc1cccc2sc(C(=O)NNC(=S)Nc3ccc(N(C)C)cc3)c(Cl)c12	729689889	UWZKZFZBRPDVIC-UHFFFAOYSA-N	418.975	4.561	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N(C)c2ccccc2)ccc1OCC(F)(F)F	732716377	PFAXSOBLHXHXIC-LFIBNONCSA-N	404.388	4.596	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2	733362102	NYKQUNDURNFHFT-UHFFFAOYSA-N	423.250	4.703	50	20	HJGD	
CC[C@@H]1c2ccccc2CCN1C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	733943420	TXHZNCYUCSEIMI-DFCFTEOSSA-N	405.542	4.755	50	20	HJGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2ccc(-c3ccccc3OC)cc2)cc1	741454942	HJNUXVQPJJOAHD-SFHVURJKSA-N	418.493	4.679	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1ccc(Cl)nc1	743815703	JKKUMXKYWDNGLJ-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)o1	746298833	KEGPHUIUMFYIEI-UHFFFAOYSA-N	406.408	4.644	50	20	HJGD	
CSc1cc(C)ccc1CNC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	756997134	NBIXJOBNIXRNHC-BYUJNSPJSA-N	423.582	4.538	50	20	HJGD	
COC(=O)c1ccc(NNC(=O)c2cccc(CSc3cc(C)ccc3C)c2)nc1	759739679	PADKSZVWGPYKCD-UHFFFAOYSA-N	421.522	4.534	50	20	HJGD	
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCS1	762663407	DVVXFASXNNWCFO-NSHDSACASA-N	404.426	4.637	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H]1CN1CCOCC1	762978600	AWJABNNWQRHJSH-CQSZACIVSA-N	415.428	4.673	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(C(F)F)cc2)c(C)n1C[C@@H]1CCCO1	764502485	DGECTGBLVDDAER-IOAQBMTJSA-N	414.452	4.872	50	20	HJGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(Br)cc1C	765008895	FUHPUFXDUNXZMZ-UHFFFAOYSA-N	410.293	4.535	50	20	HJGD	
CC(C)(C(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)C1CCCCC1	767150148	LNKDVGQIRIFVKM-UHFFFAOYSA-N	407.440	4.607	50	20	HJGD	
N#Cc1ccc(OCc2ccc(C(=O)NNc3c(Cl)cc(F)cc3Cl)o2)cc1	767402494	OMGCOBBJTIOBHY-UHFFFAOYSA-N	420.227	4.933	50	20	HJGD	
CC1(C)CC[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	769003404	CQTXULXCKXAYHX-BMIGLBTASA-N	408.873	4.539	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c(C(F)(F)F)o1	771095539	GJWFUCNUSMNXQX-UHFFFAOYSA-N	412.364	4.549	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1	773766217	KWAGGZUCZOCIQN-INIZCTEOSA-N	423.900	4.870	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)C1CCSCC1	777421939	RMMHLPMSSOCOQH-UHFFFAOYSA-N	414.600	4.635	50	20	HJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1	777809431	SUILVIPZQQCRMZ-HDOAHBKWSA-N	406.490	4.505	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@H]1C[C@H]1c1cccc(Br)c1	779201737	VHYFMKJCTAEIMS-STQMWFEESA-N	415.209	4.595	50	20	HJGD	
COc1cccc(NNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	780501360	QDGAOTBHMGCLFG-KRWDZBQOSA-N	407.861	4.548	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c[nH]nc1-c1cc2ccccc2o1	780950134	DJYQFBQGYQWDOO-UHFFFAOYSA-N	411.259	4.651	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	787325272	LFTMIHKBQSYHLV-MFVBVHDHSA-N	407.470	4.748	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H]2CCOc3c(C)cccc32)c1C	789501079	QEGDJDDPTPNALB-BKBFXEPMSA-N	408.498	4.595	50	20	HJGD	
CCOc1ccc(C(C)(C)C(=O)NNc2ccc(Cl)c(OC)c2)cc1OCC	790187802	STLOZUBZODZEGQ-UHFFFAOYSA-N	406.910	4.567	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H]1[C@H]1CCCO1	790408367	FTNJMNWNADWDPR-UONOGXRCSA-N	407.426	4.676	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H]1[C@H]1CCCO1	790408370	FTNJMNWNADWDPR-ZIAGYGMSSA-N	407.426	4.676	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2ccc(CCCl)cc2)c1C	790644671	BEDAUUAEDXMPMP-UHFFFAOYSA-N	424.353	4.725	50	20	HJGD	
O=C(NNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)Nc1ccccc1	801986604	BGBYOUGKVOQKGZ-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
CSCc1ccc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1	805840425	NTIJKGITFCTZKE-UHFFFAOYSA-N	420.538	4.753	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@@H]1CCC[C@H]2CCCC[C@H]21	806864838	UCKWACGQUZQRDV-FVQBIDKESA-N	419.451	4.607	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(F)c2Cl)c(C)n1C[C@H]1CCCO1	809195979	NKJMRYZIUIJWOL-LPPOOGIUSA-N	401.869	4.622	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1C#N	815583206	ZENPSLICVWBCSC-UHFFFAOYSA-N	418.522	4.725	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NNc2cccc(C(F)(F)F)c2)c1C	912641771	ONFBEVXBYNUPFG-BOPFTXTBSA-N	404.436	4.974	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(COc3cccc(Br)c3)o2)c1	916979228	XPOZENGDFAOFIX-UHFFFAOYSA-N	415.287	4.995	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1	920388115	SOIJHXYCCQVOGE-LZYBPNLTSA-N	421.478	4.520	50	20	HJGD	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	1318945000	CGLINLNEQJPQME-OQLLNIDSSA-N	408.841	4.553	50	20	HJGD	
CC(C)n1ncc2c1[C@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)CCC2	1320546673	SOBVGLGOZCDVDI-GFCCVEGCSA-N	417.728	4.523	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1ccc2occc2c1	1789051214	GXDMLTUBROXEDJ-UHFFFAOYSA-N	417.292	4.984	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)[C@@H](Cl)COC)CCC3)cc2)CC1	1791463961	CEYNCMFAPQLNLR-ZWOKBUDYSA-N	420.981	4.591	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2C)n[nH]1	1814593551	RUHSHAGJCLPTBI-DOTOQJQBSA-N	423.344	4.695	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](Cl)CCC)[nH]n1	1819303349	UGGFVZZQWSLQQN-SOLBZPMBSA-N	406.958	4.578	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1	1824613692	RVOQIOGEZUMKIN-QHAWAJNXSA-N	409.014	4.760	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cccc(Br)c1	2632718	OBKBEIKMHHLMCI-NTUHNPAUSA-N	405.679	4.965	50	20	HJGD	
CCCOc1ccc(C(=O)NNC(=S)Nc2ccccc2C(C)C)cc1OCC	727174125	GJHDXBFPDXUUEP-UHFFFAOYSA-N	415.559	4.629	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)CCc2ccccc2)c1C	727343461	LXPLWQLCXDGCBE-CKMDTHJYSA-N	407.558	4.747	50	20	HJGD	
Cc1ccc(C)c(CC(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1	728066116	YWCNGLFMLVHIHC-UHFFFAOYSA-N	415.868	4.536	50	20	HJGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1	728898112	IPIJTECXNAIURI-MWBOZUNASA-N	415.541	4.702	50	20	HJGD	
CC(=O)Nc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	729954082	UDDXWTDELMAERZ-GIJQJNRQSA-N	412.921	4.918	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1C	730587363	KPTIILULOUBEJS-LSDHHAIUSA-N	408.354	4.732	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1	730830961	UUAVHVPFVPTVOI-INIZCTEOSA-N	422.554	4.695	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccs1	732576996	IWCLJHRMEGOEEW-WJDWOHSUSA-N	407.422	4.905	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(Oc3ccccc3)cc2)c1C	734257090	CTQXKCXQADWKAH-UHFFFAOYSA-N	411.465	4.705	50	20	HJGD	
CCOC(=O)NNC(=O)c1ccc(N[C@@H](C)c2cc(Cl)ccc2Cl)c(C)c1	741282982	DPELQCQDNKJUHB-LBPRGKRZSA-N	410.301	4.866	50	20	HJGD	
COc1ccc(Cl)c(NC(=S)NNC(=O)Nc2ccc(Cl)cc2Cl)c1	742999112	IRAORYFMDLQWSQ-UHFFFAOYSA-N	419.721	4.679	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1ccc(Br)cc1Cl	743431600	XVXJUPOGNUVXHB-UHFFFAOYSA-N	415.715	4.874	50	20	HJGD	
COCc1c(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)oc2ccccc12	743826076	RVLBYQLCTWCVCR-UHFFFAOYSA-N	415.449	4.713	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)o1	746299111	NRSXAMKOKRWTDD-UHFFFAOYSA-N	413.437	4.749	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746895536	VSEGLVAQXZOAEY-UHFFFAOYSA-N	402.401	4.766	50	20	HJGD	
Cc1ccc(Sc2ccc(C(=O)NNc3ccc(C#N)cc3)cc2[N+](=O)[O-])cc1	748114796	CBPWIBBGBCNWPR-UHFFFAOYSA-N	404.451	4.683	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccccc2C(=O)NNc2ccc(OC(F)F)cc2)c1	748655780	DZEHKETWTQRFJM-UHFFFAOYSA-N	411.408	4.606	50	20	HJGD	
C[C@H](Sc1ccccc1Cl)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748703838	UQSRMDIPTTYIIL-NSHDSACASA-N	404.841	4.905	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1-c1ccccc1	754258962	HZAJJBKERISNBG-UHFFFAOYSA-N	412.497	4.519	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1ccc(Oc2cccc(F)c2)cc1	756148704	MJHGHZTWPXORNF-UHFFFAOYSA-N	416.412	4.633	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)cc1	759293445	MLVDEGVRIQUMBM-PDGQHHTCSA-N	412.449	4.552	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(C)(O)CC2)c(C)n1-c1cccc2ccccc12	760006113	CNYHZKCCXCMUFA-CJLVFECKSA-N	413.521	4.528	50	20	HJGD	
CN(C)c1cccc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762645588	OIEQWUNGZORRJT-UHFFFAOYSA-N	423.407	4.665	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C[C@H](C)c2cccc(Cl)c2)c2ccccc2c1=O	763347045	VUDBELPWHNCBCR-INIZCTEOSA-N	424.932	4.759	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1csc(-c2cccc(C(F)(F)F)c2)n1	766668975	AWGFZNFJSMBZJM-UHFFFAOYSA-N	421.429	4.591	50	20	HJGD	
CCCCOc1cc(OC)ccc1C(=O)NNc1ccc(F)cc1Br	769606236	PEDJAJIXJOUWEJ-UHFFFAOYSA-N	411.271	4.533	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)N[C@@H]1CC12CCCCC2	771222270	IWYVOBHITUMMEC-CJNGLKHVSA-N	420.884	4.683	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(C(C)C)n(-c2ccccc2)n1	772449744	JMNMIKWJWNSWTJ-UHFFFAOYSA-N	421.570	4.751	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1c(F)ccc(F)c1F	772941921	SWGYVQVEBYGZDH-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(Cl)c1	774120262	LFGFTARLPIAARS-SDQBBNPISA-N	406.225	4.764	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1	777418773	VZSYIJKHYHAXTN-NSHDSACASA-N	400.784	4.591	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccccc1OCc1cn2ccccc2n1	777481565	AWRBMTQCNMBGIL-UHFFFAOYSA-N	423.476	4.527	50	20	HJGD	
CCc1cccc(Cl)c1C=NNC(=O)[C@@H](C)Oc1cccc(Br)c1	788704111	LGAKRVNEMYZEOA-GFCCVEGCSA-N	409.711	4.583	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)c1C	790333332	SNTLGUWZBNCXIN-XHWRMISNSA-N	423.557	4.741	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc(C2CC2)cnc1Cl	793709612	BSNOZYJMEKGUAK-UHFFFAOYSA-N	401.091	4.785	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(Br)cc1C(F)(F)F	794482143	OCFPZLFEHIFOOA-UHFFFAOYSA-N	424.220	4.642	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(/C#N)C(=O)c1ccccc1OC(F)F	794712173	NKIOPFJTCBYPIC-RAXLEYEMSA-N	414.799	4.620	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1C#N	799494231	CWPLBEHHLXDODS-OVCLIPMQSA-N	420.881	4.889	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3Br)s2)cn1	800794923	URBCCTNZQNKOEA-WDZFZDKYSA-N	415.272	4.883	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1	811056131	YOIDFVFZYWVOQW-XGICHPGQSA-N	407.209	4.561	50	20	HJGD	
N#C/C(=C\c1cc2ccccc2nc1N1CCOCC1)c1cc(C(F)(F)F)ccn1	812246541	NWUWQUMQYBEAOH-SFQUDFHCSA-N	410.399	4.549	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccsc3)nc2C)c(C(F)(F)F)c1	816701771	KCRZGEWYZYRGID-UHFFFAOYSA-N	407.417	4.903	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2cc[nH]n2)s1	817016341	QFMXODZZLWNILU-UHFFFAOYSA-N	420.338	4.933	50	20	HJGD	
Cc1cccc2sc(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)c12	871206491	HACCYYPXFZCKMB-UHFFFAOYSA-N	402.947	4.841	50	20	HJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)c1Cl	915850639	JYVXFVLZILIIBD-GDNBJRDFSA-N	416.909	4.557	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/C=C/c2ccccc2[N+](=O)[O-])c(C)n1CC(F)(F)F	915863199	QPCZOPWJAPKRJF-UNKWGXRISA-N	403.360	4.922	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cccc(OCc3cccc(C#N)c3)c2)cc1	915983420	BWOFASVUONXUPY-OYKKKHCWSA-N	414.486	4.784	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1nc(-c2ccncc2)cs1	916132458	HDPUYTGALSFCFH-ZROIWOOFSA-N	411.284	4.513	50	20	HJGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H](CCCc1ccccc1)c1ccccc1	916219084	LJAKAMJRQPDVCP-QFIPXVFZSA-N	405.473	4.534	50	20	HJGD	
COc1cccc(C=NNC(=O)c2cc3c(s2)CCCCCC3)c1OC(F)F	916350177	DHLUCCHSKHUCND-UHFFFAOYSA-N	408.470	4.781	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1C	917844452	UPNHKUPBAWCUFX-WGTDRSLHSA-N	409.505	4.598	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1	917907740	NBHGPHIZYAZBCM-NHOMFQCRSA-N	424.500	4.545	50	20	HJGD	
Cc1csc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)n1	919703148	VEJPBZDSASYLNK-MFOYZWKCSA-N	410.930	4.736	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(CCC(=O)N2CCCC2)cc1	919887990	KLVKKHZKENZIQX-LJQANCHMSA-N	406.617	4.894	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)C(=O)Nc3ccccc3C)cs2)cc1	920065073	HVNYNTFCCITNLX-LFIBNONCSA-N	405.479	4.585	50	20	HJGD	
Cc1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)no1	920223803	TWOWBBWCIIKWPJ-FYJGNVAPSA-N	410.477	4.767	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(-c3ccc4ccccc4n3)o2)c1C	1257663030	WFZCBLKJDKOXFG-DORSJAEJSA-N	413.481	4.975	50	20	HJGD	
CC(=NNC(=O)c1ccc(Br)cc1)c1sc2nc(C)nc(C)c2c1C	1317764486	UQIQUIDIKQFFET-UHFFFAOYSA-N	417.332	4.533	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1	1787596019	NGAJFTUAAOVJDB-SFHVURJKSA-N	415.921	4.707	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncoc4c3)CCC2)cc1	1790487201	WIYDFDKQONVNPP-QGZVFWFLSA-N	411.889	4.593	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)cccc2C)[nH]n1	1815321755	GLOKBKFZNWZACC-WMZOPIPTSA-N	416.953	4.740	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)cc2Cl)n[nH]1	1823186808	ONCGTJWNLXPRNM-RHSMWYFYSA-N	423.344	4.695	50	20	HJGD	
C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1)c1ccccc1	1824015110	PDVULGHQLLJPJL-RXVVDRJESA-N	419.009	4.675	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C)cc2)CC1	1824614675	PICCYPLNCRBDLS-FGZHOGPDSA-N	419.009	4.565	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccc(OC[C@@H]3CCCO3)cc2)n1	14179339	HNODKGUFAIBLDW-FYXHJSOBSA-N	411.527	4.544	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cccc(OC)c1OC(C)C	72117959	XQRXPEIQPNEWKS-YBEGLDIGSA-N	414.889	4.999	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(OCc2ccccc2)cc1	96953120	MHTYRAVGSCSDDF-UHFFFAOYSA-N	415.276	4.647	50	20	HJGD	
CC(C)=CCSc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	303901743	QNTSMSUHCZSTMI-SFHVURJKSA-N	412.555	4.590	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1C	731056429	SBRBGKAOVBUBDA-NLZIUFDSSA-N	423.532	4.533	50	20	HJGD	
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCCC[C@@H]2CCSS2)cc1	731625741	YOUCLYROGLGPQM-SJORKVTESA-N	410.630	4.549	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccccc3F)no2)c1C	732830243	ZMPLOAFBWWTUJS-YQYFLZKSSA-N	422.460	4.652	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CCc2cccc(F)c2)C2CC2)c1C	733765117	YJXQVTCVFWNIFF-OVBDPADQSA-N	423.532	4.592	50	20	HJGD	
CN(C)[C@H](C(=O)NNc1ccc(Br)cc1Cl)c1cccc(Cl)c1	733807710	CHFGZCVPVFUVBQ-HNNXBMFYSA-N	417.134	4.502	50	20	HJGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	733990710	IUEASHTUQKXEDO-QFEFXYORSA-N	415.541	4.703	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2csc(COc3ccc(C)cc3)n2)cc1	734305058	GRBCOZNPORJDPI-YBFXNURJSA-N	403.507	4.562	50	20	HJGD	
Cc1cccc([C@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1C	734470039	VAOGGAUNJPSBHL-AHFVYKFHSA-N	423.520	4.865	50	20	HJGD	
O=C(NNc1cccnn1)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1	737048184	ALOBPYQFNFVHET-KRWDZBQOSA-N	420.275	4.533	50	20	HJGD	
O=C(NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)N[C@H]1CC=CCC1	737064747	VZFNDBOPKVDVTB-SFHVURJKSA-N	415.946	4.685	50	20	HJGD	
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1NC(=O)NC(C)(C)C	740922391	DOBJFPKXTYBPTR-UHFFFAOYSA-N	408.424	4.691	50	20	HJGD	
CC(C)(C)c1ccc(Oc2ccc(C(=O)NNc3ccccc3[N+](=O)[O-])cn2)cc1	741207368	VCOUDCQIFNBXFH-UHFFFAOYSA-N	406.442	4.837	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)C2CC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl	741275085	BRSXKBIRNRGLHN-LBPRGKRZSA-N	406.313	4.646	50	20	HJGD	
Cc1nc(C)c(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)s1	742088954	UMJIFLPPTBGMGW-JAIQZWGSSA-N	404.539	4.699	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	745844153	OGHPRRMZLPZCKA-BTZCDPCDSA-N	409.493	4.638	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	746703016	GDBVVZUOIARYGF-UHFFFAOYSA-N	402.216	4.898	50	20	HJGD	
Cc1cc(Br)ccc1SCC(=O)NNc1ccc(OC(F)F)cc1	748637778	BUSIOTVXCWXIDA-UHFFFAOYSA-N	417.275	4.594	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NNc2ccc(OC(F)F)cc2)c1C	748643880	RCSHJVBHOOSXLX-ATVHPVEESA-N	402.445	4.557	50	20	HJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1	750801493	PLVBVVXVMMOVQB-IFRROFPPSA-N	401.844	4.833	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnc(C)c(Cl)c1Cl	753171969	ZZEXDQBRYCAWFT-UHFFFAOYSA-N	403.107	4.779	50	20	HJGD	
Cc1ccc(C=NNC(=O)c2ccc(COc3ccccc3)o2)c(Br)c1	753695134	MJSHHKPGIMARRD-UHFFFAOYSA-N	413.271	4.693	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1cccc(COC2CCCCC2)c1	756247009	WZZJDMDFURZYQU-UHFFFAOYSA-N	418.497	4.551	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)Nc3ccc(Oc4ccccn4)cc3)cc2C1	756568100	BAAGJFPZWNBWNO-CQSZACIVSA-N	422.510	4.527	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1[N+](=O)[O-]	770567529	DZMGEPOWUDDNMA-LGMDPLHJSA-N	415.405	4.941	50	20	HJGD	
CCCN(C(=O)c1ccccc1NC(=O)NNc1c(F)cccc1Cl)C(C)C	771181061	WGPRFINJFMPEBC-UHFFFAOYSA-N	406.889	4.888	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)c(F)c2)cc(C)c1OC(F)F	771689410	MOWMCPIQEJWRHZ-UHFFFAOYSA-N	403.198	4.563	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1cc(Br)cc(Br)c1	773214559	XTQSUUSVTLNJFG-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cc1cc(NNC(=O)c2coc(-c3ccccc3Cl)n2)ccc1Br	776475036	FUDVIELJSXOGLO-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)Nc1ccc(F)cc1	777464186	PTDREMMSXVEUKY-CXUHLZMHSA-N	414.362	4.635	50	20	HJGD	
NC(=O)Nc1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	777600402	JODOICUFSRFQQA-UHFFFAOYSA-N	417.381	4.635	50	20	HJGD	
COc1ccc([C@@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)c2ccccc2Cl)cc1	787383036	ZIJHJHOBCRKQAH-NLMIPJBGSA-N	418.880	4.867	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	791713321	GXHAMNBNSBIHJL-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3scc(C)c3Cl)cc2)cc1	792217453	FGVBZHFEECQYKZ-UHFFFAOYSA-N	420.943	4.608	50	20	HJGD	
CC(C)[C@@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1cccnc1	797868224	NBWHWMCIMDAROC-OAHLLOKOSA-N	416.241	4.746	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c(Sc2ccccc2)c1	803435491	BAVBRTWGIWPRFH-UHFFFAOYSA-N	401.491	4.745	50	20	HJGD	
O=C(/C=C/SCc1ccco1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211164	HFWDJEYJQSBGKO-CSKARUKUSA-N	420.416	4.646	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2c(F)cncc2F)c(C)n1-c1ccc(F)cc1	804823421	IYSYDVSXOITHGQ-DUPVFGOHSA-N	424.426	4.691	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2sc(C3CCCCC3)nc2C)cc1C	812724423	CSWKCWJJEHPOBI-UHFFFAOYSA-N	401.532	4.741	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NNc1c(C)cccc1C(C)C	813048439	WVWSYXAKUMEVNH-UHFFFAOYSA-N	411.546	4.905	50	20	HJGD	
Cn1ncc(C=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1Cl	814695589	IXHAZDILQJEJFR-UHFFFAOYSA-N	424.291	4.706	50	20	HJGD	
Cn1c(-c2ccccc2)c(C=NNC(=O)CSc2ccccc2O)c2ccccc21	814971163	VCXOEPXKAFUBNT-UHFFFAOYSA-N	415.518	4.793	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Br)c1cc(Cl)c(F)cc1Cl	816198561	NVCNXWSTAVLFNZ-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(OC)c(OCC(C)C)c1	915852196	WQALYVVCVYSCDN-ZDLGFXPLSA-N	424.497	4.642	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1OC(F)F	916493914	CUVNSWWZILEYNY-KRWDZBQOSA-N	419.472	4.681	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Oc2ccc3ccncc3c2)c(-c2ccccc2)n1	916860729	KQPFARLGKWSFMC-DEDYPNTBSA-N	419.444	4.525	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(OC(C)(C)C)cc2)c1C	920474465	DVMFTIVCIQTFJX-ZFJBLLOBSA-N	423.557	4.713	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc(-c2ccccn2)nc2ccccc12	932518928	RNNPSWBNKQKYIU-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)nn1	1339253876	YULOITVSQOJCTD-UHFFFAOYSA-N	421.448	4.673	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1	1786076445	PONLJLMCETZVEZ-QAPCUYQASA-N	419.363	4.650	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)cc3)CCC2)cc1	1786446217	ANSMEHJWYXWQHT-LJQANCHMSA-N	400.906	4.547	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccnc3)cc2)CCC1	1786921061	HTVZNEKVYSDLQS-ACGJQVIASA-N	411.933	4.636	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3csnc3C)cc2)CCC1	1787191186	KUCGNOYQBHJYIM-KRWDZBQOSA-N	405.951	4.607	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)CCC1	1789315006	DOEQBINQZIHGMM-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc(F)c3)CCC2)cc1	1790486194	XLXKBTIBMUJTDH-IBGZPJMESA-N	402.897	4.520	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3sccc3OC)CCC2)cc1	1790486753	JKAYTXKROAVRCX-HNNXBMFYSA-N	406.935	4.522	50	20	HJGD	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)c1	1792123849	RIZZLTGUKRXTIG-AUUYWEPGSA-N	413.880	4.596	50	20	HJGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-c1ccc(C)cc1	1800605061	PYYLWPMYGGAWOQ-SRYPRDQNSA-N	424.972	4.931	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2)n[nH]1	1820498658	FIWQLHXOOIRXLW-RDJZCZTQSA-N	423.344	4.777	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1	1831560969	ILWFMDGKZXSZGW-FRYIKTPZSA-N	414.993	4.747	50	20	HJGD	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)cc1	10237387	KVHCRKKYKDHVML-ALDSOSFCSA-N	408.546	4.704	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1nc(C)cc(C)n1)c(C)n2C1CCCCC1	21127410	DWXHHMHEDLYZPJ-UHFFFAOYSA-N	407.518	4.627	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCN(c2ncc(Cl)cc2Cl)CC1	108482707	IKBZWWSJFWRFGI-CQSZACIVSA-N	420.431	4.751	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cc4cc(C)ccc4o3)cc2)cc1	117665356	IEZCKQXSXOHFKH-UHFFFAOYSA-N	420.490	4.639	50	20	HJGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	302914950	VKGVDSCBNLWGKZ-FOWTUZBSSA-N	417.303	4.547	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1c(Cl)cccc1Cl	727263706	GFGKRNLIKUVTGD-UVTDQMKNSA-N	420.271	4.515	50	20	HJGD	
COCCSc1ccc([C@H](C)NC(=O)NNc2ccccc2C(F)(F)F)cc1	729054676	FYWINZGUWMSDHM-ZDUSSCGKSA-N	413.465	4.831	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H](c1ccc(Cl)cc1)C1CCC1	729233235	ZAGFNZKGIQMMCZ-FDBJDISXSA-N	415.965	4.728	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	730516966	GHCZXNACUYLHRE-OLZOCXBDSA-N	418.107	4.865	50	20	HJGD	
N#CCOc1ccc(CC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cc1	731966429	HPOQKNCPKFSWBL-QGZVFWFLSA-N	414.836	4.989	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(C)(C)C)CC(F)(F)F)c1C	731990789	IQEPZGZOPVBODZ-QANDDYDISA-N	413.484	4.656	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNC(=O)Cc3ccc(F)cc3)sc2c1	732653992	REBYFVKERHFKOB-UHFFFAOYSA-N	404.894	4.821	50	20	HJGD	
Cc1ccc(OCc2cccc(C(=O)NNc3ccnc4cc(Cl)ccc34)c2)cn1	734012624	CBHIRDJAKKWHOU-UHFFFAOYSA-N	418.884	4.928	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1oc2ccccc2c1CSc1cccs1	734260866	WGCUJYRAPGMKSU-UHFFFAOYSA-N	416.915	4.987	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2cc3cc(F)ccc3o2)cc1	741851770	GMLALAJZWJBBBX-SFQUDFHCSA-N	400.413	4.920	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2ccc(Cl)c(F)c2)nn1-c1ccccc1Cl	746695213	DQGAHKFRMKITIQ-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1nc(-c2ccccc2F)oc1C	748736507	CZUZVIGCGKUQLO-UHFFFAOYSA-N	404.239	4.617	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@H]([C@H]2CCOC2)C1	750282973	DNGHILOKWTYCIZ-HUBLWGQQSA-N	408.873	4.796	50	20	HJGD	
CCCc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)cnn1-c1cccc(F)c1	752660786	KHCLCUFPACKZNS-UHFFFAOYSA-N	424.373	4.879	50	20	HJGD	
O=C(CCc1ccoc1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	753181508	PDYHYUTZNGNMHE-UHFFFAOYSA-N	414.914	4.619	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1Cl	753306037	CVBPSQVGGBOEFB-UHFFFAOYSA-N	416.890	4.911	50	20	HJGD	
N#Cc1cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)ccc1Cl	758132582	HTFHOIQYLDIUFD-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H](C)S1	762664579	KVFZYLIRIMQRRJ-UWVGGRQHSA-N	404.426	4.635	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	770197346	QCETWOLUNBAOMF-QQJLWGBUSA-N	401.707	4.656	50	20	HJGD	
C[C@H](CBr)COC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1	770345055	OAEUWVUTXSAWLS-GFCCVEGCSA-N	421.316	4.556	50	20	HJGD	
O=C(Cc1cccc(OCc2cccnc2)c1)NNc1ccc(Cl)cc1Cl	770807035	XMOZMCLVYPCCLY-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
C/C(=C/C(=O)NNc1ccc(Br)c(F)c1)c1ccccc1OC(F)F	771681435	KUSMMEVWIYPBEN-NTMALXAHSA-N	415.209	4.736	50	20	HJGD	
N#C/C(=C/c1cc(F)cc(C(F)(F)F)c1)C(=O)Nc1nc2ccccc2nc1Cl	772805665	HNUCMODQSIBVOT-WZUFQYTHSA-N	420.753	4.987	50	20	HJGD	
C[C@@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)NNc3cnccn3)c2C1	775278930	OIARAOCHOQYGPM-JFPYRBRCSA-N	421.504	4.905	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1csc(Cc2cccc(F)c2)n1	780656174	FZFPQFJGBCCTOP-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
O=C(O)c1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782908573	WENVBMLULJSNNZ-UHFFFAOYSA-N	403.350	4.843	50	20	HJGD	
CCCN(C)C[C@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782979740	KTDRMBJMONQFBA-CYBMUJFWSA-N	422.485	4.696	50	20	HJGD	
Cc1nc(-c2cccc(NC(=O)C(=O)NNc3cc(Cl)ccc3Cl)c2)cs1	783371839	POTAKAMNLRHWCE-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
N#C/C(=C\c1cccc(C(=O)O)c1Cl)c1ccc([N+](=O)[O-])cc1Br	787185265	ZXDMSNZFBZQWPO-UXBLZVDNSA-N	407.607	4.773	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1	788193222	PDVBONDWBPISBM-UHFFFAOYSA-N	410.873	4.678	50	20	HJGD	
COc1ccc(C(=O)CCCCCC(=O)NNc2ccc(Br)cc2)cc1	789821571	UVILEDWATQDUOZ-UHFFFAOYSA-N	419.319	4.734	50	20	HJGD	
CCOc1ccc(-c2noc(CCC(=O)NNc3cc(Cl)cc(Cl)c3)n2)cc1	791733600	FPTKAUGRODWFIB-UHFFFAOYSA-N	421.284	4.518	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCOc2c(Br)cccc2C1	792528229	GZIRGHWOPKXLPQ-AWEZNQCLSA-N	416.406	4.884	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC3(CCOCC3)CC2)c(C)n1C1CCCCC1	793485108	GXNUITNQYZNOCH-OQKWZONESA-N	409.574	4.936	50	20	HJGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)n1	797608364	PAZLWLMQKZDRGT-UHFFFAOYSA-N	406.511	4.625	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1	813051145	KEOODWUJPHGRBW-UHFFFAOYSA-N	417.513	4.592	50	20	HJGD	
CCC(CC)(CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)OC	815753742	POXMPFNJESXRRA-UHFFFAOYSA-N	404.401	4.604	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(OC(F)F)c(F)c1	816073254	OOTIGZCPUUCNIQ-UHFFFAOYSA-N	403.198	4.509	50	20	HJGD	
CCN(Cc1ccc(Cl)cc1)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	914502220	UUONPTAEGWLFGN-CTPANLQCSA-N	413.949	4.921	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc(O)c(Br)c3)nc(O)c2c1C	915853710	MQQRPKAJQNBWMP-VZUCSPMQSA-N	402.273	4.546	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1O	916128994	OHSVLFXJXCBVEI-JYRVWZFOSA-N	411.870	4.723	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(CCN(C)C)CC2)c(C)n1C1CCCCC1	918706346	TWJGMMDYODNJEA-QJOMJCCJSA-N	410.606	4.707	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1C	921015035	YXQLRWSDZPNWHW-LUJYGJGBSA-N	407.558	4.531	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2ccc(C(C)(C)C)nn2)cc1C	1318694011	MRXWRAVFTBWVMH-UHFFFAOYSA-N	407.543	4.694	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3ccc4c(c3)OCO4)o2)c(C)n1CCC(C)C	1345701690	INLYGYISCHYFED-GRSHGNNSSA-N	404.470	4.994	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)c(Cl)c2)n[nH]1	1814590637	RMABRDSJKHUUED-PBHICJAKSA-N	423.344	4.695	50	20	HJGD	
CCCCC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1	1822001888	HCXCBTDGVYYORL-RDJZCZTQSA-N	410.990	4.883	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2)CC1	1824617550	VMJMFHDLNGXMOA-SFTDATJTSA-N	404.982	4.636	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)c1C	26886345	OKWQDWGETBOKLO-MBTVCVBTSA-N	407.514	4.783	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1	33417106	ZUOYXYCTFKJOFR-BOPFTXTBSA-N	418.305	4.826	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)C(=O)Nc3c(C)cccc3C)cs2)cc1	141375100	FBSWYAMPINPBJB-BOPFTXTBSA-N	419.506	4.893	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(-n3cccc3)c2)c(C)n1C[C@H]1CCCO1	726934722	XQCMHEUDDMBNPG-JRXNCPAPSA-N	414.509	4.620	50	20	HJGD	
COc1cc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c2c(c1)C[C@@H](C)O2	727743688	GTJGFTQHTJPSPT-OUZNOSRWSA-N	424.305	4.664	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c1C	729974088	RYKVPSUWQCHNBL-ITYAEGKHSA-N	419.569	4.701	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1)c1ccccc1	732237905	NYGMAZFSOXVSAN-FOIQADDNSA-N	422.554	4.704	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1	733363237	RCDVSWMTFVQRNX-UHFFFAOYSA-N	408.383	4.714	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccc(-c2ccc3c(c2)OCCO3)s1	734247765	BUAHGVLIPAQIJQ-UHFFFAOYSA-N	409.492	4.553	50	20	HJGD	
Cc1ccc(C[C@H](NC(=O)NNc2ccc(OC(F)F)cc2)c2ccccn2)cc1	734682856	CVSDZIMURIYING-FQEVSTJZSA-N	412.440	4.602	50	20	HJGD	
CC[C@@H]1CCC[C@@H](OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1	734724439	YQJARCHJPVBLOU-FWRVPIRKSA-N	402.498	4.883	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(-c2ccncc2)cc1	747493737	HAIGMYZHPQXHDM-KRWDZBQOSA-N	410.477	4.607	50	20	HJGD	
O=C(NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(Cl)cc1F	747817947	LQHKZMKFBIFJJA-OAQYLSRUSA-N	421.859	4.819	50	20	HJGD	
C[C@H](C(=O)NNc1cccc(Br)c1)c1ccc(Br)s1	748020528	JETRTCCVIXKRET-QMMMGPOBSA-N	404.127	4.520	50	20	HJGD	
Cc1c(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cccc1[N+](=O)[O-]	748660621	NZMXFZXKGJDOQM-UHFFFAOYSA-N	419.466	4.574	50	20	HJGD	
Cc1c(NNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cccc1[N+](=O)[O-]	748669302	CDULDBMFODYTNV-UHFFFAOYSA-N	423.654	4.557	50	20	HJGD	
Cc1ccc(-c2ncc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)s2)c(C)c1	748733226	ZLNSPFORYJUATM-UHFFFAOYSA-N	402.863	4.745	50	20	HJGD	
COc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c(C(F)(F)F)c1	751268533	IPGQFIWBUOHFOT-UHFFFAOYSA-N	407.841	4.686	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2cc(F)cc(F)c2)c1C	755398605	JTEVJFFOWGQGKO-SPMGSRNISA-N	402.441	4.802	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CCCc2cc(Cl)sc2Cl)c1	755650804	WIEHRRKQPLJIGQ-UHFFFAOYSA-N	420.362	4.843	50	20	HJGD	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)Cc1ccc2ccccc2c1	756495840	SKZCSGOMVVBINR-INIZCTEOSA-N	418.522	4.629	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCc2ccccc2C1	762634812	ANEJJVDCULTLDQ-UHFFFAOYSA-N	406.376	4.867	50	20	HJGD	
Cc1noc(C)c1COc1ccccc1C(=O)NNc1c(Cl)cccc1Cl	763612412	KNBVJRJOXYEQCR-UHFFFAOYSA-N	406.269	4.934	50	20	HJGD	
C[C@H](OC(=O)[C@H](Br)C(C)(C)C)c1nc(Cc2ccc(Cl)cc2)no1	766748044	WIHRZGCXMQHDDV-HZMBPMFUSA-N	415.715	4.728	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C	771177854	ZIKFLZYYKXEFCA-UHFFFAOYSA-N	400.454	4.580	50	20	HJGD	
CN(Cc1ccccc1)CC(C)(C)NCCP(=O)(c1ccccc1)c1ccccc1	773475358	JGSUMEXKDPTCGW-UHFFFAOYSA-N	420.537	4.501	50	20	HJGD	
COc1cc(C(=O)NNc2nc3ccccc3cc2C)ccc1OCc1ccccc1	777477892	KPPLXEWPTRWFMV-UHFFFAOYSA-N	413.477	4.888	50	20	HJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1	777809787	UXELLCDRBMPSPH-HRVJUDJTSA-N	406.490	4.505	50	20	HJGD	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNc1cc(Cl)ccn1	778447700	DMPAEMSBWJHWDL-OWOJBTEDSA-N	409.717	4.929	50	20	HJGD	
O=C(CCC(=O)c1ccc2ccccc2c1)NNc1ccccc1OC(F)(F)F	779209906	VHPZFZDSBYWTMX-UHFFFAOYSA-N	402.372	4.845	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1	780809626	WWGLROXACVVVFH-UHFFFAOYSA-N	422.550	4.715	50	20	HJGD	
CCC1(C(=O)NNc2ccc(Cl)cc2Cl)CCN(C(=O)c2ccccc2)CC1	781348219	CFPZLTFXEZYKOL-UHFFFAOYSA-N	420.340	4.769	50	20	HJGD	
CC(C)C[C@H](CCO)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981453	PONIBQSMQKMBLV-LBPRGKRZSA-N	411.458	4.667	50	20	HJGD	
COCCN(C1CCCC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782983355	OHGNQGTVOVZYTG-UHFFFAOYSA-N	409.442	4.924	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21	787528906	FWMDCNOTHVZBKU-UIRWJGRMSA-N	419.481	4.756	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ncccc3C)c3cnn(C(C)C)c3n2)c(C)s1	791224047	NFRXVTCRCWTPTN-UHFFFAOYSA-N	420.542	4.818	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccncc2Cl)c(C)n1CCC(C)C	791594233	ZQLLQCPARMIVMD-VCHYOVAHSA-N	413.905	4.533	50	20	HJGD	
Cn1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)c(-c2ccc(Cl)s2)n1	791714807	BXIINMOFHKPXAG-UHFFFAOYSA-N	401.706	4.866	50	20	HJGD	
C[C@H](OCc1ccccc1)C(=NNC(=O)c1cc(-c2ccccc2)on1)C(F)(F)F	811637377	VBLVMHBOFGIZLG-AWEZNQCLSA-N	417.387	4.595	50	20	HJGD	
N#Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cnc1C(F)(F)F	814692425	CFHDIFVSILYNMF-UHFFFAOYSA-N	409.582	4.689	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cc(Cl)c(F)cc1Cl	814759029	OPHMKXGKUUKLLL-UHFFFAOYSA-N	424.284	4.639	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CC[C@H](C)C3)s2)cc1	814874765	CYBHWSIJONVPGT-ZDUSSCGKSA-N	406.602	4.523	50	20	HJGD	
CCc1c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cnn1CC(C)C	817016539	ZLRWGAOKIJCVMS-UHFFFAOYSA-N	422.373	4.896	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c1C	818122368	TWBUBCIYQLUQOY-HMAPJEAMSA-N	420.557	4.723	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccc(F)cc3F)c3c(C)noc3n2)c(C)s1	834806705	IVFUXPPMCVEQRW-UHFFFAOYSA-N	414.437	4.912	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)N(C)C)cc2)c(C)n1C1CCCCC1	915160396	WAHNVJLXSRNUIZ-RCCKNPSSSA-N	419.525	4.825	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(Br)o2)c1C	915198868	SARYZPCCSOTMOZ-GZTJUZNOSA-N	418.335	4.826	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1	915843341	XHMIXEMIAGMENF-ZKMNFCBKSA-N	417.421	4.648	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3ccc(F)cc3F)cc2)cc1	915914655	TUVVJHCDZHRGHA-UHFFFAOYSA-N	410.420	4.706	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C/c3cnn(-c4ccc(Cl)cc4)c3)nc(O)c2c1C	915984451	GZBUPIUPUYXJRQ-VGOFMYFVSA-N	407.886	4.917	50	20	HJGD	
CC[C@H](C)c1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2)c2cccs2)cc1	916207023	WRIFQPYXWYZNPH-HRAATJIYSA-N	407.539	4.995	50	20	HJGD	
O=C(NCC1CCCCC1)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918238414	FGSPZULCZHQTKC-MRXNPFEDSA-N	408.873	4.541	50	20	HJGD	
CN(N=Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(=O)OC(C)(C)C	920381032	JDTHDDLPMKDWHV-LBPRGKRZSA-N	400.319	4.759	50	20	HJGD	
O=C(NN=Cc1cccc2c[nH]nc12)c1ccc(COc2ccc(Cl)cc2)cc1	1116125876	WNRIFFUEPGALJO-UHFFFAOYSA-N	404.857	4.559	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)COC3CCCCC3)cc2)CCC1	1786013884	FPNYNJIKOVULTK-FQEVSTJZSA-N	420.981	4.877	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(F)(F)c3ccco3)cc2)CCC1	1791079767	QLSQIOKFOVDKLB-HNNXBMFYSA-N	410.848	4.523	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1	1824613563	QSCMKBCEHDUGHO-HZPDHXFCSA-N	415.361	4.574	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1	1832389749	HMEWZLOSCNHVLN-KJFKNKMQSA-N	409.014	4.594	50	20	HJGD	
COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	1967103	QATGJABFXWKAIJ-HYARGMPZSA-N	419.502	4.921	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)NC2CCCC2)cc1OCC	14178609	QDRPJQMWIKFIAH-XNTDXEJSSA-N	421.335	4.602	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	21208899	UVAVSTIPQBSTJB-ROUUACIJSA-N	423.604	4.640	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	97101913	HGVFEZHWQWRQLR-VBKFSLOCSA-N	423.900	4.654	50	20	HJGD	
C[C@H](CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1c(Cl)cccc1Cl	726279665	FUAZZDZJOKVUDL-CSNVJCEJSA-N	424.372	4.644	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	731477915	RVUPYZKGNRBJIS-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2nc(-c3ccncc3)cs2)c1C	731627388	ZBTPRKFIXHACHK-NDENLUEZSA-N	419.554	4.647	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCOC[C@@H]2c2ccc(CC)o2)c1C	736059183	UWCYLGCSCGGULK-VOSMRYOYSA-N	409.530	4.568	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3cccc(C(F)(F)F)n3)c2c1	740136300	LFICZMDZTXKRHK-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3cccc(C(F)(F)F)n3)cc2)n1	740142346	NXOLVHBLLXPTHH-UHFFFAOYSA-N	424.473	4.915	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1C	746357417	DIWAIYNRUFNPBR-NVNXTCNLSA-N	410.465	4.556	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)c1C	747589602	YPZBPMVNNGXEPH-YSSBIZNGSA-N	421.541	4.803	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)c1	748044256	GXNWCTGZUAPJQP-UHFFFAOYSA-N	403.385	4.942	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cnn(-c2ccccc2)c1C(F)(F)F	748580767	NVXCVAYQAIOICJ-UHFFFAOYSA-N	400.404	4.527	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(OC)c(O[C@@H](C)CC)c1	749454011	XFICALKMHWJPEO-DZBQEORWSA-N	424.497	4.784	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)CCSc1ccc(F)cc1)c1c(Cl)cccc1Cl	751292334	FTYBVUHPYFXJKK-LLVKDONJSA-N	415.317	4.566	50	20	HJGD	
Cc1cccc(C(NC(=O)NNC(=O)c2ccc3ccccc3n2)c2cccc(C)c2)c1	753047901	YFNLUYUYFNPVAB-UHFFFAOYSA-N	424.504	4.585	50	20	HJGD	
Cc1ccccc1-n1nc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c2c1CCC2	754148328	HTSIHDZKSKSASO-UHFFFAOYSA-N	418.394	4.584	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)Nc1ccccc1SCC(F)(F)F	755592444	ILRRFAOFRSSKGX-UHFFFAOYSA-N	421.803	4.600	50	20	HJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)NNC(=O)c1cc2ccccc2cc1O	756854789	GSNODIXBJBTZPP-UHFFFAOYSA-N	421.497	4.635	50	20	HJGD	
Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)s1	759100416	AXQXTMOJSJDUSD-SSDOTTSWSA-N	409.427	4.543	50	20	HJGD	
O=C(NN=Cc1ccc(F)c2cccnc12)c1cc(-c2ccncc2)nc2ccccc12	759180882	ZPYQIKRUICNTDG-UHFFFAOYSA-N	421.435	4.748	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC=C(C#N)CC2)c(C)n1-c1cccc2ccccc12	760002607	AETSZNCZJSBYEV-HAHDFKILSA-N	406.489	4.837	50	20	HJGD	
CCOc1cc(Br)c(NC(=O)NNc2ccc(F)cc2)cc1OCC	769977479	PFNPWZAZEWCHHK-UHFFFAOYSA-N	412.259	4.534	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(F)cccc1Cl)c1cccc(OCc2ccccn2)c1	771301878	JSHPYKMICCDPDW-CQSZACIVSA-N	414.868	4.840	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1cccc(Cl)c1F	773467424	MPHFTWARIRFRMF-UHFFFAOYSA-N	404.791	4.841	50	20	HJGD	
COc1cc(/C(C#N)=C\c2cc(Cl)ccc2OC[C@H]2CCCO2)ccc1[N+](=O)[O-]	774563219	XXAIMRGUEJVAID-YZIPPPLESA-N	414.845	4.879	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1ccc(C(F)(F)F)cn1	775254431	NWADPLGWDCOLMN-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778017129	MREJFBKDJZFUDN-ZDUSSCGKSA-N	411.458	4.665	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(Br)c1	786040472	NSMZPENEFXIADL-BOPFTXTBSA-N	420.328	4.717	50	20	HJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)C(=O)NCc1ccc(F)c(F)c1	786114337	KXDHIRUYNQGLMK-WJDWOHSUSA-N	420.444	4.564	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@H]1CCc2ccc(-c3ccccc3)cc21	807151741	NXNDYWOEEVESOR-QHCPKHFHSA-N	410.477	4.509	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)n(C3CCCCC3)n2)c1C	811935072	AGAPBCKIAAGJKX-LZAZYHHXSA-N	423.561	4.868	50	20	HJGD	
COc1cc(C(=O)NNc2c(C)cccc2C(C)C)cc(OC)c1Br	812769511	KJVURBPDUHKSRN-UHFFFAOYSA-N	407.308	4.655	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2ccccc2)[nH]n1	817014658	RWRSZZLQCWBAOT-UHFFFAOYSA-N	414.309	4.871	50	20	HJGD	
CC(=O)c1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1	817015827	UDSRXISJSSVFLZ-UHFFFAOYSA-N	408.273	4.823	50	20	HJGD	
Cc1csc(Sc2ccc(C(=O)NNc3ccc(F)cc3F)cc2[N+](=O)[O-])n1	876972436	UFZRQHSIHPXSDR-UHFFFAOYSA-N	422.438	4.546	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(c3ccccc3)CC2)c(C)n1C[C@@H]1CCCO1	881441853	NCPBYPUZBVXITE-NHOMFQCRSA-N	417.553	4.597	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2c(C)nn(Cc3ccccc3)c2Cl)c2ccccc2n1	915922268	GSJZGGJOQZSZSQ-UHFFFAOYSA-N	417.900	4.514	50	20	HJGD	
COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCC[C@@H]2CCSS2)cc1Cl	916939941	JFURBUNDTZLCIM-ZIAGYGMSSA-N	412.964	4.710	50	20	HJGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNc1ncc(C(F)(F)F)cc1Cl	918167761	HFUBUANGHYYUBN-UHFFFAOYSA-N	412.721	4.599	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2-n2cncn2)c(C)n1CC(C)C	918592469	INFJEZMTRZAVSL-GIJQJNRQSA-N	422.920	4.541	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c1	920210931	RZZGXFISXBDRJP-AWEZNQCLSA-N	409.477	4.834	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1ncc(-c2ccccc2)s1	920934130	CYCHICKGGBSDSO-UHFFFAOYSA-N	407.268	4.860	50	20	HJGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788588012	VBPPHVHTVFZPEG-LIRRHRJNSA-N	420.887	4.673	50	20	HJGD	
CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)CCBr)CCC3)cc2)CC1	1789113405	QXFOCGIUKGAXCV-MRXNPFEDSA-N	419.363	4.652	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occ(Cl)c3c1)C2	1793682248	NXZWPPFLWFXZMN-JYYAWHABSA-N	423.340	4.746	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)/C=C/C3CCCCC3)CC2)C1	1806163399	SAOKEEJKKKBLLZ-CFGKVWFZSA-N	409.014	4.762	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)s2)CC1	1824612345	YGXXKAOFENUXSZ-HZPDHXFCSA-N	414.974	4.528	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1	1830308274	OXMZMBOSVYIUNU-VQTJNVASSA-N	416.949	4.684	50	20	HJGD	
O=C(NNC(=O)c1sc2cccc(F)c2c1COc1ccccc1)c1ccccc1	11660056	NOWLLBSPPJTXML-UHFFFAOYSA-N	420.465	4.694	50	20	HJGD	
N#C/C(C(=O)CSc1nc(CCC2CCCC2)n[nH]1)=C1/Nc2ccccc2S1	45104351	WBLYKDRDIIQLMQ-XMHGGMMESA-N	411.556	4.542	50	20	HJGD	
COc1cc(C(=O)NNc2cccc(Br)c2)ccc1OC1CCCC1	195661286	KZQBWCLKHJNROE-UHFFFAOYSA-N	405.292	4.536	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(OCC)c1	211534636	UOVKCNQOIVTSIV-PTNGSMBKSA-N	402.397	4.631	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3nc(-c4ccccc4)no3)cc2)cs1	728080983	SSGAOIBENKFTBS-UHFFFAOYSA-N	423.523	4.551	50	20	HJGD	
COc1cc(C(=O)NN[C@@H](Cc2ccccc2)c2ccccc2)ccc1OC(C)C	732917643	AHQXKEUDORBPQD-QFIPXVFZSA-N	404.510	4.701	50	20	HJGD	
CC(CCc1cccc(C(F)(F)F)c1)=NNC(=O)c1cnn(-c2ccccc2)c1	733078715	SQDCKZAQZSZHTQ-UHFFFAOYSA-N	400.404	4.630	50	20	HJGD	
O=C(CCCC1CCCCC1)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	734259043	OKQKMGSDXIOBHT-UHFFFAOYSA-N	407.440	4.751	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1	734260613	YSXRPMVYDNAUJC-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
CC[C@@H](NC(=S)NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cccs1	734369524	CDFBZMHQFLWUAF-CQSZACIVSA-N	419.572	4.876	50	20	HJGD	
Cc1n[nH]cc1C(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C	735410609	NQLPXQVWIUWBGG-UHFFFAOYSA-N	423.826	4.562	50	20	HJGD	
Cc1noc2nc(C(C)C)cc(C(=O)Oc3ccc([N+](=O)[O-])cc3Br)c12	739302646	SWUAEJQZRQHNCT-UHFFFAOYSA-N	420.219	4.545	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1C	739629949	XLDSEWSYAWMRPN-POEBIKTISA-N	407.514	4.618	50	20	HJGD	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)NNC(=O)c3ccccc3C)cc2c1	740025666	MOAXFWWAOBFREB-UHFFFAOYSA-N	417.465	4.699	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3cccc(C(F)(F)F)n3)ccc2n1-c1ccccc1	740136721	ZIIXKQONSYQJRS-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
Cc1cnc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1	742119916	MIJCQVALVKNOBU-MFOYZWKCSA-N	410.930	4.736	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2ccc(Br)cc2)c1-c1ccccc1	754178356	MENRAQWIWRIDQU-UHFFFAOYSA-N	413.319	4.825	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2Cl)o1)NNc1ccc(-c2ccccc2)nn1	754471707	JMMDKRSXZPZVRJ-UHFFFAOYSA-N	419.872	4.528	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H](N2CCCC2=O)C1	762973411	XETJTSZSPQZUJI-ZDUSSCGKSA-N	413.412	4.963	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1csc(-c2ccc(Cl)c(Cl)c2)n1	766671157	GKRIBVLVMBUIFI-UHFFFAOYSA-N	422.322	4.879	50	20	HJGD	
Cc1c(NC(=O)[C@H](Br)C(C)(C)C)cccc1-c1nnc2n1CCCCC2	767034013	HCSVAMWTDZGMKO-KRWDZBQOSA-N	419.367	4.728	50	20	HJGD	
CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1sc(-c2ccccc2)nc1C	769568128	HAWXGHBOCLVMIX-ZDUSSCGKSA-N	416.547	4.528	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc(Br)c1O	772178381	DXWIBINYGNMHEO-KGVSQERTSA-N	408.198	4.621	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1	772893540	QJKGCUASYYNJSQ-LJQANCHMSA-N	414.481	4.855	50	20	HJGD	
COCCC1(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCC1	773406479	DOXOYKJKKQZIOB-UHFFFAOYSA-N	416.412	4.606	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cnc(Cc2ccccc2F)s1	774084198	USFUGMNSVKFEMU-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
Cc1nn(Cc2ccccc2)c2sc(C(=O)NNc3ccc4ccccc4n3)cc12	777465068	ANPDWNQUALYPMP-UHFFFAOYSA-N	413.506	4.760	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC(c4cccc(F)c4)C3)s2)cc1	781586934	QTPUTWAIALYUIN-UHFFFAOYSA-N	409.486	4.808	50	20	HJGD	
O=C(O)c1cc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)ccc1F	781661658	WKDIMDYDPILETM-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	782080283	DBIGLLOHKUDDPT-UHFFFAOYSA-N	418.906	4.941	50	20	HJGD	
CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)cc1F	784804981	ZLRVFOATRBXTAQ-UHFFFAOYSA-N	419.472	4.521	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)cc(Cl)c1OC	787151748	QWVBHTDDYHHMAD-AYCSXLNKSA-N	414.889	4.540	50	20	HJGD	
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NNc3cc(Cl)cc(Cl)c3)C2)c1	791726800	INGBWOWSPHODTG-CQSZACIVSA-N	421.328	4.689	50	20	HJGD	
Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C2=O	792550025	LRCFPWNKPZVTCJ-UHFFFAOYSA-N	420.359	4.887	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)COc1ccc(C2SCCCS2)cc1	799755409	KDXLXFXAMSDUDY-UHFFFAOYSA-N	402.585	4.948	50	20	HJGD	
O=C(NNc1cccc(F)n1)Nc1cccnc1Oc1ccc(Cl)cc1Cl	806498752	GBGLNWWLHIVECS-UHFFFAOYSA-N	408.220	4.863	50	20	HJGD	
COc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1OC	806554045	IGYLPDLQORXVIP-RIYZIHGNSA-N	412.294	4.657	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2ccncc2)on1	817013334	IABJJFOILDNBRR-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2Cl)c(C)n1CC(C)C	849205801	ROBMRMBTBXFBHN-ZDLGFXPLSA-N	413.905	4.503	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)c(C)c1	914555032	HDZFDAVKZJYBHO-UHFFFAOYSA-N	423.948	4.828	50	20	HJGD	
O=C(CCCOc1ccccc1Br)NNc1ccccc1C(F)(F)F	916162746	MFIIDPCWZRDTPY-UHFFFAOYSA-N	417.225	4.770	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc(C#N)n1C	918677668	XHECTUPXWDCGCU-YVLHZVERSA-N	400.413	4.682	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@@H]1CCCOc2ccc(F)cc21	919791429	RGIMJHYUGAIEPY-GFCCVEGCSA-N	419.671	4.721	50	20	HJGD	
COc1ccc2[nH]c(C)c(C(=O)NNc3ccc(Br)cc3Cl)c2c1	1261206137	CFBRXDYTSJBAJS-UHFFFAOYSA-N	408.683	4.658	50	20	HJGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	1338909337	KMKSVNNDGXBMCY-LNSITVRQSA-N	409.905	4.900	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)c3ccccc3)cc2)CCC1)C(Cl)Cl	1786614727	GPYDHZRPLOSWFV-INIZCTEOSA-N	409.288	4.635	50	20	HJGD	
C[Si](C)(C)OCC(=O)Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1	1789650453	OXKOZWSTGUAUGW-UHFFFAOYSA-N	414.622	4.552	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3)CCC2)cc1	1790485964	PKDNWUHRHQNGMP-IBGZPJMESA-N	402.897	4.520	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2Cl)CC1	1824617516	USRWOMYWZKVUIO-DLBZAZTESA-N	415.361	4.574	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)cc2)CC1	1830312090	GHDNRIATKATJJV-FCHUYYIVSA-N	419.009	4.565	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1OC(F)F)c1ccccc1	205556040	IKNXPWKIYAYIRD-ZENNRRHLSA-N	408.351	4.674	50	20	HJGD	
COc1ccc2cc([C@H](C)C(=O)NNC(=S)Nc3ccc(C)c(C)c3)ccc2c1	725906294	AHNDNOQPRHTKIQ-INIZCTEOSA-N	407.539	4.587	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2OC(F)F)c1C	726507289	QEOQHKHJSDMOIJ-BFERYNQYSA-N	417.456	4.768	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1	726619589	SCYGNLUHNBUDIT-GOSISDBHSA-N	418.419	4.528	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1cnc(-c2ccccc2)s1	727254012	KYVCIWJJAAVNQP-UHFFFAOYSA-N	410.549	4.662	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@@H](c1ccc(Cl)cc1)C1CCC1	729224734	ROBBJDHHOURBRQ-OAQYLSRUSA-N	407.901	4.979	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	730159534	KNNOUSMNXBAKOC-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
CSc1ccsc1C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	730515341	UDVBQOXKNYUOLU-UHFFFAOYSA-N	419.531	4.760	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ncc(-c3cccc(Br)c3)[nH]2)c1	731936531	AMLHEZDFPTYPAB-GDNBJRDFSA-N	407.271	4.693	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c(OC(F)F)c1	734096979	VJUADBRCYPZZKA-QPEQYQDCSA-N	422.815	4.813	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C[S@@](C)=O)c2C)c1C	735022803	UQUGAESWNRNOJE-WEUSUWRTSA-N	411.571	4.638	50	20	HJGD	
CN(C)c1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1	742005600	BZROVVFZYDQNLH-UHFFFAOYSA-N	403.107	4.579	50	20	HJGD	
COc1ccc(/C=C/C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1	742005968	BYWWAGJEGNAHSL-QPJJXVBHSA-N	416.102	4.921	50	20	HJGD	
CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCCC[C@@H]1CCSS1	744106958	JGKFICLVFSUWLV-MRXNPFEDSA-N	402.576	4.569	50	20	HJGD	
Cc1ccc(-c2nc(CNC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)co2)cc1	744737408	QHWBQTCCEFNWKW-SSDVNMTOSA-N	416.525	4.948	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1C(=O)c1cccs1	748701619	QGJJPIYXMXOWOG-UHFFFAOYSA-N	420.412	4.677	50	20	HJGD	
COC(=O)C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(Cl)cc1	752456339	OMLYUFFUNYNLGN-CVEARBPZSA-N	401.981	4.775	50	20	HJGD	
COc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1-c1ccccn1	755227745	SICVGRXTMSEKDW-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cc(Cl)ccc1SC1CCCC1	755308346	ODJOADAFMKZIGO-UHFFFAOYSA-N	415.906	4.577	50	20	HJGD	
C[C@H](Oc1ccccc1NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccccc1	756587831	CUJNPSNWPIKPBV-INIZCTEOSA-N	414.465	4.774	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(C)cc1	760464238	YZYKZIUFTCSVHC-UHFFFAOYSA-N	418.419	4.789	50	20	HJGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)[C@H](C)C1	761249935	MEOVEQCXJNDOHE-HZPDHXFCSA-N	419.481	4.580	50	20	HJGD	
O=C(CCc1cncc2ccccc12)NNc1ccc(Br)cc1Cl	765608046	NKXWOROBIJAWKB-UHFFFAOYSA-N	404.695	4.727	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(F)cc2Cl)nn1)C(=O)c1ccc(Cl)cc1F	773161101	AAXXCSCQRONGGA-YHYXMXQVSA-N	405.191	4.642	50	20	HJGD	
CCO[C@H](CCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(C)C	773354074	HBEYATDPMLRDJQ-CQSZACIVSA-N	418.428	4.850	50	20	HJGD	
CC1(C)CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	774341347	NAPYTNQKZMXWNI-GFCCVEGCSA-N	407.426	4.975	50	20	HJGD	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	775538837	ZSKYTVPLBWMIAQ-AWEZNQCLSA-N	420.435	4.869	50	20	HJGD	
Cc1cc2cc[nH]c2cc1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	781547057	POSZKCIBLIUMEP-IQKNENRKSA-N	402.498	4.619	50	20	HJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	782179363	FVYIDYTVEDTURD-YFHOEESVSA-N	416.871	4.979	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl	785179940	CFBLWBMJAXXHSK-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
COc1cccc(/C=C(/CC(=O)N2CC=C(C#N)CC2)c2nc3ccccc3s2)c1	787483872	WCXDMLWYHDUFDG-UYRXBGFRSA-N	415.518	4.918	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccnc(Br)c2)cc1)c1ccccc1	788528525	LCWBXNGWILVYEJ-AWEZNQCLSA-N	412.287	4.741	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NN(c2ccccc2)c2ccccc2)c1C	789948309	KWASMRUDIJJPBQ-OQKWZONESA-N	414.509	4.528	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c1C	794214203	QVADFCMXTKYGCA-LASGFXPTSA-N	417.513	4.557	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)ccc1OCc1ccc(Cl)cc1	794884421	PHBLLNWZTYHOES-FUDBJYBQSA-N	411.885	4.830	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)C2CCOCC2)cc1	794959238	SDUXHWHMQZPUJD-HAHDFKILSA-N	411.505	4.810	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccnn3C)ccc2C)c1C	798558878	RXQJQPSENAJRPU-BKUYFWCQSA-N	401.514	4.770	50	20	HJGD	
O=C(NNc1ncccc1F)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2	804217279	WJCQXQYMCVLVKY-CCEZHUSRSA-N	414.440	4.996	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](C)c2ccc(F)c3ccccc23)c2ccccc2n1	807623909	SDNZPZXHCPTDSR-OAHLLOKOSA-N	416.456	4.541	50	20	HJGD	
C[C@H]1CN(C(=O)c2ccc(NCc3ccc(OCCCCl)cc3)cc2)C[C@@H](C)O1	811501772	WTQQRKNYCUPZPF-HDICACEKSA-N	416.949	4.556	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1	812767031	BEQPTDIHSYERNZ-UHFFFAOYSA-N	400.544	4.592	50	20	HJGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(-c2ccccc2Cl)s1	874072675	ZBNJOIVREYYSJQ-UHFFFAOYSA-N	415.858	4.506	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1	901116450	HGVVKCSSZCCPDP-NDENLUEZSA-N	403.507	4.741	50	20	HJGD	
CCn1c(SCC(=O)NNc2ccccc2Cl)nnc1-c1ccc(Cl)cc1	912646509	CRCIRNXIDZSWRX-UHFFFAOYSA-N	422.341	4.507	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(NC(=O)C2CCCCC2)c1	917216165	XFOLDISIUNQPPD-UHFFFAOYSA-N	416.865	4.524	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2cc(F)ccc2F)c(C)n1C[C@@H]1CCCO1	918953365	SIRJFBXAQPFBKW-MNKDURAMSA-N	414.452	4.774	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(COC(C)C)c2)c1C	920475885	FDMZMKUCDKLHTL-FNLSEGDXSA-N	409.530	4.783	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2SC)c1C	920820266	QQHNBDKWAAPUNK-MHWRWJLKSA-N	403.935	4.672	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncccc34)CCC2)cc1	1786010635	NGBZSFBGMYDICE-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccoc3)cc2)CCC1	1786748916	BGRUQTHSFCVOKT-VUFXHXBKSA-N	421.324	4.663	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)cc(F)c3)cc2)CCC1	1788250397	SKEZEVNFFLOYIN-LJQANCHMSA-N	420.887	4.659	50	20	HJGD	
C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1791161106	SIRUWBTZQGSLCF-AUUYWEPGSA-N	420.887	4.673	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)C3CC(C)(C)C3)cc2)CCC1	1791650679	GDPNEBQMEWUKAS-QGZVFWFLSA-N	421.379	4.730	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)oc1C	1795126151	YQMWJRGKXUNMQR-KYHPRHEASA-N	408.970	4.545	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)[nH]n1	1820862204	VSTVSPKMLPXOQT-KONPQCLYSA-N	408.974	4.636	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cnn(Cc3ccccc3)c2)c(C)n1CC(F)(F)F	8200073	AQTDTGLQKONVRE-DJKKODMXSA-N	412.415	4.702	50	20	HJGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	302839431	XCKZACIWONKZFT-UHFFFAOYSA-N	415.708	4.934	50	20	HJGD	
CCC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	727184292	DSVJAJNBHMSJBE-SXGWCWSVSA-N	404.388	4.542	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cccc(OCc2cccc(Cl)c2)c1	728079409	JEALMWOHZSCKJZ-UHFFFAOYSA-N	420.856	4.726	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1	729273391	OSTIXXSUGLZTNV-UHFFFAOYSA-N	412.873	4.693	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c(Cl)c1OC	730435178	YQWQEFKCASBTBS-XFXZXTDPSA-N	421.678	4.665	50	20	HJGD	
CCc1nnc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)o1	732317519	OBHPXAYSLWUTBG-UEXNTNOUSA-N	404.470	4.559	50	20	HJGD	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NN=c2cc[nH]c3ccccc23)c1	735115653	LDYSVKGWPZUKBA-UHFFFAOYSA-N	414.852	4.731	50	20	HJGD	
COC(=O)C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccc(Cl)c1	743795792	QIPOLMZDSDALPJ-HZPDHXFCSA-N	401.981	4.775	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)c1C	744374178	MRSWURPTMQQHQD-GZTJUZNOSA-N	405.420	4.624	50	20	HJGD	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NNC(=O)c1ccc2ccccc2c1	746213658	ZFBGTKYUISSYBJ-AWEZNQCLSA-N	415.415	4.906	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)cc1	748117050	KNLUJBZSHHVXRV-UHFFFAOYSA-N	410.481	4.616	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C(=O)NNc3ccc(OC(F)F)cc3)c2Cl)cc1	748659950	WEDSCQDTCBGFCD-UHFFFAOYSA-N	420.847	4.560	50	20	HJGD	
CCCc1c(C(=O)NNc2cccc3cnccc23)nnn1-c1cccc(C(C)C)c1	748769542	JQVIDAFSBFGNCU-UHFFFAOYSA-N	414.513	4.648	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(Cl)cc2)cnn1-c1ccc(C(F)(F)F)cn1	749270881	AEGWWIIQRYVTAO-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1cnc(-c2cccs2)s1	751515788	DTBPBXCCHFHMAU-UHFFFAOYSA-N	416.578	4.724	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1cccnc1Oc1ccc(Cl)cc1Cl	754484021	WCANMHVPNAASCM-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
COc1ccccc1C(=O)NN=Cc1c(C(C)(C)C)nn(-c2ccccc2)c1Cl	758110493	ORKNHXVSJKIXGA-UHFFFAOYSA-N	410.905	4.596	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1	758715424	QYDQEAWQKNTUSS-YOEHRIQHSA-N	415.362	4.530	50	20	HJGD	
C[C@@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)C[C@@H](c2ccsc2)O1	759751757	XLOTXZISWVOTLV-XXBNENTESA-N	411.507	4.524	50	20	HJGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1cccc(OCc2ccccn2)c1	767035782	NUSYGMSXXDZKSQ-KSSFIOAISA-N	405.336	4.647	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	772892039	ZCORAUCAZAYESO-UHFFFAOYSA-N	400.841	4.942	50	20	HJGD	
Cc1cc(/C(C#N)=C/c2cc(Br)c3c(c2)OCCO3)ccc1[N+](=O)[O-]	774559435	RKESFUNAYDZSQV-VGOFMYFVSA-N	401.216	4.501	50	20	HJGD	
COc1ccc(SC)c(OC)c1C(=O)NNc1c(Cl)cc(F)cc1Cl	775812022	VLQUNHHZBJSZMR-UHFFFAOYSA-N	405.278	4.629	50	20	HJGD	
CCCC(CC)=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1	776187631	KBCDUFLQMCQSHY-UHFFFAOYSA-N	408.618	4.913	50	20	HJGD	
C[C@H](C(=O)NNc1ccccc1OC(F)(F)F)c1ccc(Br)s1	779200392	ADJCWUPRONNJCD-QMMMGPOBSA-N	409.227	4.656	50	20	HJGD	
O=C(NNc1cnccn1)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	782082827	MTNFOIREOIGUPO-UHFFFAOYSA-N	412.862	4.681	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1	787337869	SACMDDMSHYOTLX-XSFVSMFZSA-N	415.518	4.829	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCCc3ccc(F)cc32)c1C	794058193	AUGCMSWBBKFKCU-HELSKZROSA-N	409.505	4.552	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc(C(C)(C)C)nc2)c(C)n1C[C@@H]1CCCO1	797303367	QUJAUVVMBLZCKT-ZAAFRKLLSA-N	421.541	4.627	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1C#N	799499156	RFPSLMSZVLNJNQ-FKZYXTMDSA-N	400.265	4.658	50	20	HJGD	
CC(C)(C)c1ncc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)s1	804208389	JXSRRZFQOHHSFB-UHFFFAOYSA-N	421.448	4.673	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(C(=O)NNc2nccnc2C2CCC2)cc1Cl	805475584	UROZYWRPSWWCIS-UHFFFAOYSA-N	419.872	4.818	50	20	HJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NN=Cc3ccc([S@](=N)(=O)O)cc3)cc2C1	811634972	HYIOWDJQMKXPAZ-HNNXBMFYSA-N	419.572	4.542	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cn1	812244803	INEBOBPOCLQNCD-XNTDXEJSSA-N	404.813	4.960	50	20	HJGD	
CCOc1ccc(-c2nc(C(=O)NNc3ncnc(Cl)c3C(C)C)cs2)cc1	816486645	MEQYLTKXIQVKNA-UHFFFAOYSA-N	417.922	4.533	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2	830556572	HJVAQJSMVBDUNE-BUHFOSPRSA-N	421.522	4.953	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc(Cl)c1O	917029688	NUGJKVRWRCZPOP-UHFFFAOYSA-N	404.850	4.686	50	20	HJGD	
Cn1c2ccccc2c2cc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])sc21	917213855	BMISTLBLQYSJDH-UHFFFAOYSA-N	400.847	4.712	50	20	HJGD	
CCCC(CCc1ccccc1)=NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1	1329192600	BJAGXPURVPHQJT-UHFFFAOYSA-N	401.551	4.539	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C)CCC2)cc1	1786444015	MHBXDTDOKSMWKT-INIZCTEOSA-N	405.951	4.607	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cccc4[nH]ncc34)cc2)CCC1	1788439482	QLGPIUOAZGVYFG-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cccc2cccnc12	1788910654	GVDHDNLJIDATFK-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Br)cc3)CCC2)s1	1791432955	DYFPVXBQPVEPQV-CYBMUJFWSA-N	421.360	4.588	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)C1	1806156478	XYXPMANNETWYND-LEWJYISDSA-N	419.009	4.819	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)[nH]n1	1815317640	DIHLVLDIZACJAQ-PRHORXKJSA-N	420.966	4.584	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824010295	LDBYZRNMVLFCSO-HXUWFJFHSA-N	409.014	4.640	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1	1829009440	NKUYBEKAVQUSQF-NHQVPKDKSA-N	420.981	4.628	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)CC1	1830005437	BIUFNLSVIFEXBL-SFTDATJTSA-N	404.982	4.554	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)CC1	1832400886	CASFNDWRXBJEPZ-WMZHIEFXSA-N	409.014	4.618	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cc2ccccc2)c1C	10412792	SAMZEPOFANUYQV-JJIBRWJFSA-N	413.521	4.888	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)OC2CCCCC2)cc1OC	14178800	ADMIFYVXURNKHJ-NTEUORMPSA-N	408.292	4.639	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(C)cc3)c2C)cc1	16437310	MABULUZDFSKZMY-KGENOOAVSA-N	414.509	4.801	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccncc2)c1	18063359	QVHZNSZDDZRPLM-HMMYKYKNSA-N	405.461	4.788	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1nccs1	23724449	FAAKFWNOKLWXSZ-JXMROGBWSA-N	400.803	4.510	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2OC(F)F)c1C	726507299	QEOQHKHJSDMOIJ-PACYTGELSA-N	417.456	4.768	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)/C=C\c2cccc(OC3CCCC3)c2)cc1C	727864352	HLWZFOUDKOFKJG-QBFSEMIESA-N	409.555	4.656	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c1C	732541188	BYKUIDJSZJQFDY-XGHPXPSOSA-N	409.921	4.829	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1cc(Cl)ccc1Oc1ccc(F)cc1	733811409	ICUZLOHTYWFPEE-UHFFFAOYSA-N	408.820	4.972	50	20	HJGD	
Cc1cccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1C	734412835	NBWWCZUBGHZHKE-CJUOYTLCSA-N	405.542	4.685	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc2c(c1)OCCO2	734484162	YXVJKKZHWLZHQA-PDGQHHTCSA-N	417.440	4.550	50	20	HJGD	
CC[C@H](Cc1cccc(Br)c1)C(=O)NNc1nccc2sccc12	735332358	XOFLNEJANCGZSQ-CYBMUJFWSA-N	404.333	4.771	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)n1	741666609	BHMIQROSRAPVSG-UHFFFAOYSA-N	405.260	4.963	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(F)c(F)cc1Br	750427344	FPTMRJYVIJRWIN-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1	756407900	GRGNSGXRWPJRFV-JOCHJYFZSA-N	414.465	4.697	50	20	HJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)NNC(=O)c2cccc(C#N)c2)cc1	757604357	PRUJJKBKPOCXGZ-MRXNPFEDSA-N	416.506	4.878	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)Nc1ccc2nc(-c3ccccn3)oc2c1	757929173	PAKLKSPHJNTUME-UHFFFAOYSA-N	423.432	4.510	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3nc(C)co3)c2)c1C	758878593	SULDMQLATVXBSJ-HQOKVJKCSA-N	418.497	4.821	50	20	HJGD	
CC(C)c1nn(-c2ccc(Br)cc2)cc1C=NNC(=O)CC1CCCC1	763364025	UUTCJXLQEMURMF-UHFFFAOYSA-N	417.351	4.789	50	20	HJGD	
CCOCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)ccc1OC	765613113	HDCQDMRZARZCLA-RIYZIHGNSA-N	417.259	4.967	50	20	HJGD	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@H](Br)C(C)(C)C	767035465	HNNUDTURZYTBTM-KRWDZBQOSA-N	409.368	4.615	50	20	HJGD	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1ccc([N+](=O)[O-])cc1	768242318	CCVHPWIDGPHMSG-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1csc(NC2CC2)n1	769148289	VTEUHAAGDVGTKR-UHFFFAOYSA-N	422.135	4.544	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ncc(Cc2cc(F)cc(F)c2)s1	769931332	GBQZZKSNBWARPZ-UHFFFAOYSA-N	417.466	4.770	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cnc(Cc2ccccc2F)s1	773482035	KQBQQCDAALFRDJ-UHFFFAOYSA-N	413.371	4.788	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1ccccc1Oc1ccccc1Cl	773743829	ANHIOJOXRNDACZ-UHFFFAOYSA-N	416.264	4.868	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ccc(C(F)(F)F)cn3)cc2)cc1	775252277	IFWQDMAWVPMRAP-UHFFFAOYSA-N	415.371	4.852	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ncccc2-c2ccccc2)c1C	780027574	JKDMFDBHXSYTEO-SDLXJUDFSA-N	414.509	4.920	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)/C(C#N)=C/c3ccc(O)cc3)s2)cc1	787336321	DRKAHGSQOISVIW-UZUMKDMXSA-N	403.507	4.917	50	20	HJGD	
COc1ccc(C(=O)NN=CC(c2ccc(F)cc2)c2ccc(F)cc2)cc1OC	799866774	SBNVJMLMNMGZLF-UHFFFAOYSA-N	410.420	4.530	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	808743016	OUELYYQORSXKHU-UHFFFAOYSA-N	404.378	4.548	50	20	HJGD	
COCCOCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	809147087	KAJYSQIFUQSEJZ-WJDWOHSUSA-N	405.281	4.702	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O	812764667	BKMCCWCHBLPAKT-UHFFFAOYSA-N	413.518	4.599	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(F)ccc1I	812768870	KXEHBWCUWYRFOR-UHFFFAOYSA-N	412.246	4.619	50	20	HJGD	
COC(=O)c1cc(NNC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)ccc1C	816689161	VHEMIERAVKNORD-UHFFFAOYSA-N	410.495	4.584	50	20	HJGD	
COc1ccccc1C=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	916287307	HFLAUGAOBVWRBB-UHFFFAOYSA-N	416.506	4.628	50	20	HJGD	
O=C(CCN1CCCCCC1)NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	918711543	PWWAZXPLLRPVPS-UHFFFAOYSA-N	424.492	4.545	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc3cc(Cl)ccc3n2C)c1C	918967386	XEMKRWWVUPMEOV-LICLKQGHSA-N	410.905	4.705	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(=O)NC4CC4)cc3)n2)cc1	920067233	CVJDNYWKHQHRIB-LDADJPATSA-N	401.491	4.775	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)c1ccccc1	921261533	HIVGZDWFYXHXDT-ATVHPVEESA-N	400.272	4.654	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(C(=O)c3cccs3)CC2)c1C	1116227007	QHWOYKKXNLKLOI-XSFVSMFZSA-N	409.555	4.605	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(CNC(=O)OC(C)(C)C)o2)c(C)n1CCC(C)C	1322474968	QOTYCDZGTFUOMJ-WOJGMQOQSA-N	413.522	4.623	50	20	HJGD	
C[C@@H](CBr)C(=O)Nc1ccc(C2(NC(=O)C3(C)CCCC3)CCC2)cc1	1786065491	HQQJTPYLRODRHK-HNNXBMFYSA-N	421.379	4.732	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3csc(C)n3)CCC2)cc1	1786442298	FYDWNSNCWMECQS-SFHVURJKSA-N	419.978	4.536	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1	1786447529	YPQCBQZQOCIUAK-OAQYLSRUSA-N	423.944	4.908	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4[nH]3)CCC2)cc1	1790486531	COQCSSVRSIMIGC-HNNXBMFYSA-N	415.946	4.995	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1ccc(Cl)s1	1791602788	BPSZYWHWZORFSV-UHFFFAOYSA-N	417.745	4.953	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccccc1C1CC1	1792085437	PNYRDFDMYGOFKL-LJQANCHMSA-N	400.881	4.846	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](C)CC2)n[nH]1	1822941565	NAYZSPVHEBSRDD-KONPQCLYSA-N	408.974	4.636	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1C	211234366	AFLMNZVRXXKQJH-CWGWECIMSA-N	421.541	4.918	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)C(=O)c3ccccc3C)cs2)cc1	212137183	HDGPCSCXYNEALM-ATVHPVEESA-N	417.490	4.935	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	215987017	HKIUPYKZTMJRPM-JYRVWZFOSA-N	405.679	4.965	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N(Cc1cccs1)Cc1cccs1	392211989	JROXKGJKAQKWSX-UHFFFAOYSA-N	412.001	4.982	50	20	HJGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)c1ccc(CSc2nncn2C)cc1	728155123	CAKLBRSNPZMIKI-GOSISDBHSA-N	413.591	4.964	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NN=c3cc[nH]c4ccccc34)c(-c3ccccc3)n2)cc1	730288482	NSALJOMTODXMDY-UHFFFAOYSA-N	419.488	4.575	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccnc1)C1CCCCC1	732716627	WSSZYQJQBUWFAF-HKWRFOASSA-N	411.509	4.632	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cnn(C(C)C)c2)c1C	732748889	QOIFLVFQSMMYNC-OZNZCJATSA-N	415.541	4.964	50	20	HJGD	
COc1cc(F)c([C@@H](C)NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1OC	734069004	IGAKUPLXRABUDE-QGZVFWFLSA-N	423.488	4.825	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(C3SCCS3)cc2)ccc1Br	734253051	JZNIRMMXGHSZIP-UHFFFAOYSA-N	409.374	4.993	50	20	HJGD	
CSc1ccc(O[C@@H](C)C(=O)NNc2ccc(Br)cc2Cl)cc1	740924709	AVCGQDAROGOOSF-JTQLQIEISA-N	415.740	4.735	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(Oc2ccccc2)ccn1	745992529	OYAGAGXNCPRHRE-UHFFFAOYSA-N	406.511	4.629	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccc(C#N)cc1)c(C)n2Cc1ccccc1	748117414	ALNPALOVMDHDKU-UHFFFAOYSA-N	410.477	4.635	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)ccc1OCC(F)(F)F	750893093	ONLSZQFWKJZFHO-DHDCSXOGSA-N	401.344	4.750	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=C2CC(c3cccc(Cl)c3)C2)c1Cl	753919378	VSPVOWNWQPCBHG-UHFFFAOYSA-N	418.111	4.941	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1nccn1C	755490760	IRCGSRKIFUSLLI-UHFFFAOYSA-N	424.504	4.820	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1coc(-c2ccc(C(F)(F)F)cc2)n1	756200784	ZYJAMTNSHBAVRJ-OQLLNIDSSA-N	414.339	4.716	50	20	HJGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cc1	758418559	PMBANJFVZSJVQO-GVIGZQTCSA-N	404.249	4.724	50	20	HJGD	
CC(C)Cn1cc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	762675864	XJIDTDFEALHOLL-UHFFFAOYSA-N	412.384	4.774	50	20	HJGD	
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762973690	ZAMGKCUGBVHOJJ-JQWIXIFHSA-N	422.441	4.821	50	20	HJGD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	763610914	KCKNSJMPNYIGLL-LICLKQGHSA-N	421.467	4.757	50	20	HJGD	
N#C/C(=C/c1cc(Br)cc2c1OCC2)C(=O)Nc1ccccc1Cl	764889051	VARUAYZMZAQQQB-QPEQYQDCSA-N	403.663	4.583	50	20	HJGD	
O=C(NNc1ccccn1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	768388985	VVNZGMMBDHFKFJ-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
Cc1ccc([C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1	770698729	JEPULWNVRIAEIO-OMNSNBSWSA-N	410.477	4.984	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)NNc2ccccc2C(F)(F)F)c1	772218085	QJBFISCBWILSKO-UHFFFAOYSA-N	409.408	4.738	50	20	HJGD	
O=C(NCc1ccc(Cl)cn1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773468333	LRZRDQDGSINRPW-UHFFFAOYSA-N	415.771	4.647	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)cc1	775486855	FMTYWCVOQJEAKC-SFHVURJKSA-N	411.387	4.904	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	775555845	RBRKSHVUQWLACZ-UHFFFAOYSA-N	405.845	4.613	50	20	HJGD	
O=C(NCCCNC(=O)C1CCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	775778340	YBBVYFMJLMHBBL-UHFFFAOYSA-N	401.401	4.772	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCSCc2ccnc(Cl)c2)c1C	777447293	LIAYHOHYUIDMIB-UNOMPAQXSA-N	416.978	4.520	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccccn2)cc1OCc1csc(Br)c1	777470549	XOEROMMKWHHRGE-UHFFFAOYSA-N	418.316	4.550	50	20	HJGD	
COCCN(Cc1ccco1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981685	AZGKIOPXBJBMKU-UHFFFAOYSA-N	421.409	4.774	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cccc(C4CCC4)c3)cc2)cc1	799098384	GBBQNKGWQXLQQF-UHFFFAOYSA-N	420.534	4.852	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C/c1ccc(OCCN(C)C)cc1	808079193	TWOPQBRLKVZKSC-FMIVXFBMSA-N	423.582	4.977	50	20	HJGD	
COc1ccc(NNC(=O)c2ccccc2Oc2cccnc2)c(C(F)(F)F)c1	816702331	JJAIDRNWZRHSFD-UHFFFAOYSA-N	403.360	4.658	50	20	HJGD	
CCOc1nccc(C)c1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016397	SHKWWSFMXOSJSK-UHFFFAOYSA-N	407.314	4.583	50	20	HJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	915843033	JGGAAAJMPGESBT-UWCCDQBKSA-N	421.884	4.678	50	20	HJGD	
O=C(NN=Cc1ccc(N2CCCCC2)cc1)c1ccc(COc2ccccc2)o1	916359844	CEAKFZCGFSCWEH-UHFFFAOYSA-N	403.482	4.613	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1cccc(Cl)c1	916409105	SRQROJZMQZBVDR-MRXNPFEDSA-N	412.342	4.567	50	20	HJGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)S(=O)(=O)c1cc(Cl)ccc1Cl	917145860	USEBGPLSJWZQJU-PXNMLYILSA-N	416.289	4.789	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1c2ccccc2C[C@@H]1O	918205232	JWGZHIHILFMGKZ-BPUTZDHNSA-N	416.852	4.686	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)nc1	1323773118	YHUKLOXFVVASHV-UNOMPAQXSA-N	405.502	4.509	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(COc3cccc(C)c3)o2)c1C	1323866381	HYGUCBHQVZZWRC-MLHZQLSASA-N	406.486	4.647	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C3CCSCC3)CCC2)cc1	1786447349	JMYJSCFELGMGNN-SFHVURJKSA-N	408.995	4.671	50	20	HJGD	
Cc1cc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1792186332	YHRCGIDJRHVOJK-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1	1829009441	NKUYBEKAVQUSQF-RJCGUJTNSA-N	420.981	4.628	50	20	HJGD	
CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(Cl)Cl)CC1	1831468422	OCFGNUFPNVQFRT-NVXWUHKLSA-N	405.410	4.626	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1C(=O)c1ccccc1	14368025	SFBIOODASMXJQZ-UHFFFAOYSA-N	401.853	4.876	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccnc2ccccc12	725906899	HCZBNTSZTPUFRX-UHFFFAOYSA-N	424.835	4.538	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	727496905	AOTKFCWYWFDNQS-ZDUSSCGKSA-N	423.991	4.626	50	20	HJGD	
CN(Cc1ccc2ccccc2c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727847029	OYTGBQDTOBXVLE-UHFFFAOYSA-N	402.281	4.633	50	20	HJGD	
O=C(NN=Cc1sc(Oc2ccccc2)nc1Cl)c1cccc(OC(F)F)c1	728434063	FRZKMQUFYMOOBM-UHFFFAOYSA-N	423.828	4.954	50	20	HJGD	
COc1cccc([C@@H](C)N2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)c1	728891081	HHBBBYUHXYCUJR-YLJYHZDGSA-N	408.633	4.615	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)NCc2ccccc2Sc2ccccc2)cc(C#N)n1C	730558586	LHKXLJYKTOLNEG-UDWIEESQSA-N	412.518	4.580	50	20	HJGD	
Cc1ccc([C@@H](NC(=O)NNC(=O)CC(C)(C)C)c2ccc(F)cc2Cl)cc1	731118401	BSFOSBFIBMNPGB-LJQANCHMSA-N	405.901	4.644	50	20	HJGD	
CC(=O)NCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1	733111526	AWHCVZMUEVNRPR-HYARGMPZSA-N	418.541	4.792	50	20	HJGD	
O=C(CCOc1ccccc1-c1ccccc1)NNC(=O)c1cccc2ccccc12	741573435	BXIJFWPKSVEVAO-UHFFFAOYSA-N	410.473	4.737	50	20	HJGD	
CCn1c(-c2ccccc2)c(C(=O)/C(C#N)=C\c2cnn(CCOC)c2)c2ccccc21	742350008	NKGMLHFASIOBJX-QNGOZBTKSA-N	424.504	4.961	50	20	HJGD	
CC(C)(C)c1ncc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2Br)s1	744167745	BSLCVJMWYTUSGF-FNORWQNLSA-N	411.277	4.730	50	20	HJGD	
Cc1cc(C)c(NNC(=O)NC2CCN(c3nc4ccccc4s3)CC2)c(C)c1	744885832	ILKIBZGRWVIIRT-UHFFFAOYSA-N	409.559	4.517	50	20	HJGD	
C[C@H](Oc1cccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1)C(=O)O	746684276	MSHKAPZUJMWXKQ-RMNBPEERSA-N	401.447	4.598	50	20	HJGD	
O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NNC(=O)c1c[nH]c2ccccc12	747412297	PYSQVVISFGGUDG-UHFFFAOYSA-N	409.489	4.523	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(-c2ccc(Cl)s2)on1	748203997	ONTXKSJGPLFTGW-UHFFFAOYSA-N	416.659	4.715	50	20	HJGD	
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NNc3cc(Cl)ccc3Cl)C2)c1	748510334	DNUDJUGXKKZDOR-AWEZNQCLSA-N	421.328	4.689	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nn(-c2ccccc2)cc1OC	748672436	GMWIIWBQZHIUDX-UHFFFAOYSA-N	406.511	4.831	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C[C@H]2OCCc3ccccc32)c1C	750813631	QRGCJTHKLWQIDZ-DLBLZJNESA-N	405.542	4.584	50	20	HJGD	
CCc1nc2ccccc2n1C1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	752737519	ZOVJZXSMHWHLDO-OBGWFSINSA-N	402.473	4.508	50	20	HJGD	
CC(C)(C(=O)NNC(=O)Nc1ccc(COCc2ccccc2)cc1)c1ccccc1	756731422	AIUADHCHKWUXRE-UHFFFAOYSA-N	417.509	4.534	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1	760141648	UCPVTQMNYAAXHM-UHFFFAOYSA-N	402.425	4.973	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2ncc(Cl)cc2Cl)c1-c1ccccc1	760517132	JXEJHLRMAUUHCZ-UHFFFAOYSA-N	404.301	4.665	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(F)c(Cl)c2)c1C	762372037	BFZRDEJDWFBPGQ-RPJLVFAOSA-N	417.912	4.670	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)C(=O)c3ccc(C)cc3)cs2)cc1	764892349	WHFZDXWCIPFDMG-PDGQHHTCSA-N	417.490	4.935	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc2ncccc12)c1ccc(Cl)c2ccccc12	765917916	GZOTVAIHRWIJBV-AWEZNQCLSA-N	418.884	4.747	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cccc(OCc2cccnc2)c1	768011564	NTCAYTBNKHARPO-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
O=C(COc1ccc(C2SCCCS2)cc1)NNc1c(F)cccc1Cl	770198285	SSTHNBGWVWELAD-UHFFFAOYSA-N	412.939	4.870	50	20	HJGD	
CCOC(=O)N1CC[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	771195866	ULNBMYJKNZCNNF-NSHDSACASA-N	403.373	4.696	50	20	HJGD	
CC(C)c1cc(C(=O)NNc2ccc(Br)c(F)c2)nn1-c1ccccc1	771680227	FVVXDBZPAQVVHZ-UHFFFAOYSA-N	417.282	4.654	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	771689465	RQBIZYSUHMYPLB-GOSISDBHSA-N	401.482	4.623	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	773763567	SEXCPPYOXRBWHB-UHFFFAOYSA-N	415.371	4.580	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC23CCN(C)CC3)c(C)n1C1CCCCC1	776491205	NSDQHEIOLAKXHY-OQKWZONESA-N	408.590	4.604	50	20	HJGD	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NNc1c(Cl)cccc1Cl	778352287	DZLXUOQSZSVCGV-MRVPVSSYSA-N	409.239	4.616	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ncc(Cl)n2C)c(C)n1C1CCCCC1	778979276	YABFLNHQYAFSKW-WQRHYEAKSA-N	413.953	4.563	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1Cl	782108702	USNQMCXPYHVEGD-QPJJXVBHSA-N	423.609	4.945	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NNc1ccc(Cl)cc1Cl	784800837	DNBBGHXNVBJCIE-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1occc1CSc1ccccc1	789864487	UBFCMXZCTILRJX-UHFFFAOYSA-N	410.539	4.549	50	20	HJGD	
O=C1CC[C@@H](C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n2cccc21	790718535	SYEUHURTWPAEEQ-LRDDRELGSA-N	402.825	4.864	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	792377288	TWFCPLQQZBHIJO-UHFFFAOYSA-N	413.840	4.583	50	20	HJGD	
Cc1oc(C(C)C)nc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	796703017	PDDNHXNXLWJEHM-UHFFFAOYSA-N	407.095	4.933	50	20	HJGD	
C/C(C=NNC(=O)c1nnc(-c2ccccc2)o1)=C/c1ccccc1C(F)(F)F	799877150	OUOKZAOYTKVTHK-IMKNXOLTSA-N	400.360	4.575	50	20	HJGD	
CSc1ccccc1[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	800082594	QCPVADOGVOLHEF-QUCXYMQISA-N	423.582	4.790	50	20	HJGD	
Cc1ccc(C(=O)NNc2c(Br)cccc2Br)c(Cl)c1	801501097	AVXSOSQLUJWOIB-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
O=C(NNC(=O)c1cccc2cnccc12)Nc1c(Cl)cc(Cl)cc1Cl	802070162	UNABYJGELYJUJN-UHFFFAOYSA-N	409.660	4.662	50	20	HJGD	
CCCCn1ccnc1-c1cccc(NC(=O)NNc2nccnc2C2CCC2)c1	806354317	UHUMOWXYWHVIHV-UHFFFAOYSA-N	405.506	4.556	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(Br)cc1F	807120878	SEFPKFJAGKIURN-UHFFFAOYSA-N	419.250	4.531	50	20	HJGD	
O=S(=O)(Nc1cccc2nc(O)oc12)c1ccc(S(F)(F)(F)(F)F)cc1	811707372	BUOBOCSAOZHYNE-UHFFFAOYSA-N	416.349	4.992	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)n(C3CCCCC3)n2)c1C	811935073	AGAPBCKIAAGJKX-PKIWBCANSA-N	423.561	4.868	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc([N+](=O)[O-])ccc1C(F)(F)F	815903818	HRWBGSSDOKTHSC-UHFFFAOYSA-N	412.126	4.816	50	20	HJGD	
COc1ccc(NNC(=O)c2cn(-c3ccc(Cl)cc3)nc2C)c(C(F)(F)F)c1	816703362	AXNXEDCMGMHNOX-UHFFFAOYSA-N	424.810	4.618	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccccc1SCc1cccs1	819710062	AIBMWFTZKSLHSK-UHFFFAOYSA-N	416.499	4.723	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2noc(-c3ccsc3)n2)c(C)n1CCC(C)C	913262110	VTCBCPGJFMHJRN-GRSHGNNSSA-N	424.526	4.913	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2OC(F)F)c1C	914506667	CPLRPKGRGOQEEQ-BRYHAGSVSA-N	401.457	4.901	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)S(=O)(=O)c1cc(Cl)ccc1Cl	915983567	NFKSNUFOYCTARN-JYRVWZFOSA-N	422.318	4.850	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1nc(-c2ccncc2)cs1	916129463	LCGHLKIEQHXONG-RGEXLXHISA-N	415.522	4.741	50	20	HJGD	
O=C(NN=Cc1cccnc1)c1ccc(CSc2nc3ccccc3s2)cc1	916287321	IDCDPPAFYWZYIT-UHFFFAOYSA-N	404.520	4.748	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(Br)s1	916360112	HNVKHYHJEHBYHR-UHFFFAOYSA-N	419.300	4.837	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2ccc(OC(F)(F)F)cc2[nH]1	918014224	SQOXGUCBIPVXAI-UHFFFAOYSA-N	403.282	4.842	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OC[C@@H]2CCOC2)c(C)n1-c1cccc2ccccc12	918809328	IIPNZOUHJHAXAM-UUMRFZBWSA-N	400.478	4.734	50	20	HJGD	
CC(C)(C)c1ncc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1	920358872	MTKVLKOPLGNKCH-UHFFFAOYSA-N	415.522	4.815	50	20	HJGD	
Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)cnc1C	1787007575	WKRXXNCCAKRCBR-UHFFFAOYSA-N	413.949	4.711	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccnc3CC)cc2)CCC1	1787091790	ULGOHMKPSMBRTC-IBGZPJMESA-N	413.949	4.799	50	20	HJGD	
Cc1cscc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Br)CCC2)cc1	1788747770	TYYCWPVBWXFPKC-CYBMUJFWSA-N	421.360	4.588	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(Cl)Cl)CC1	1831880942	OSFMDXVURWBXLM-RDJZCZTQSA-N	405.410	4.626	50	20	HJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccnc1	7158095	CVAQKPCSMMRBID-QRMLAEHGSA-N	411.509	4.536	50	20	HJGD	
COc1cc(C(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)ccc1OC(C)C	15765039	DZPWUJHIFXNOHW-UHFFFAOYSA-N	424.522	4.594	50	20	HJGD	
N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Oc1ccccc1	211498699	RUWDJSMPBAJNAM-VBKFSLOCSA-N	401.378	4.638	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1	726545943	DGMFFERBRDBOKJ-SCWSXOCZSA-N	423.944	4.597	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc(Br)c1O	727655635	ZJFPKFSNPMUOHI-OVCLIPMQSA-N	400.272	4.960	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1c[nH]c2ccccc12	729966589	MNVKGUWJYZHUFU-NRFANRHFSA-N	419.481	4.602	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1	730204885	LTGOZPWWQXDNLX-HXUWFJFHSA-N	412.461	4.568	50	20	HJGD	
O=C(NCC1CC1)NNC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	730215482	HUPWIBOOQFNAOV-QGZVFWFLSA-N	424.353	4.567	50	20	HJGD	
CC(C)(C(=O)NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1	731219514	XEXOIFOKINAVKK-HSZRJFAPSA-N	411.505	4.691	50	20	HJGD	
Cc1cccc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)n1	741286496	VKKVUQDORQMMEI-DEDYPNTBSA-N	402.473	4.502	50	20	HJGD	
Cc1nc(-c2cccs2)c(CC(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)s1	748628844	GQRLDHBXEIFYSQ-UHFFFAOYSA-N	422.457	4.756	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1c(C)nc(O)c(C#N)c1C	748672606	JDQLZLSINQWHAD-UHFFFAOYSA-N	408.527	4.545	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1ccc(C(F)(F)F)cc1	748822152	YQXMRYOMXPLKQA-UHFFFAOYSA-N	420.416	4.604	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)Nc1cccc(CCC(F)(F)F)c1	757618907	HGMHPKCLXCVJDH-UHFFFAOYSA-N	415.415	4.730	50	20	HJGD	
N#C/C(=C/c1cccc(Cl)c1F)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	759644221	PJZKEHXDVNJCBL-SDQBBNPISA-N	415.833	4.559	50	20	HJGD	
CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762981056	WEJVZLZMCUOLTK-CQSZACIVSA-N	417.444	4.919	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cnc(Cc2ccccc2F)s1	773460428	VHACRNHFFIXYMH-UHFFFAOYSA-N	411.380	4.529	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	775269821	UABMBSTZOGSTSQ-UHFFFAOYSA-N	417.083	4.638	50	20	HJGD	
C[C@H](c1cccc(NC(=O)NNc2c(Cl)cccc2Cl)c1)N1CCOCC1	775607175	WNKMFIGCLVHKKT-CYBMUJFWSA-N	409.317	4.535	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1csc(Cc2ccc(F)cc2)n1	779207292	OYNNGKPVDUWKHZ-UHFFFAOYSA-N	411.380	4.529	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cccc(NC(=O)C2CCCCC2)c1	779216670	IVUJIHJNIAJUCF-UHFFFAOYSA-N	421.419	4.861	50	20	HJGD	
COc1cc(C(=O)NN=C2CCC[C@@H](C(F)(F)F)C2)ccc1OCCC(C)C	783509054	JIIWHBUCKVEOHV-OAHLLOKOSA-N	400.441	4.958	50	20	HJGD	
CCN(Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1)C(=O)OC(C)(C)C	786944480	YFAAQUZTAFEXFI-CPNJWEJPSA-N	421.497	4.695	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H](Sc1ccc(F)cc1)c1ccccc1	791064127	QYQWAXLZTVBWAL-IBGZPJMESA-N	415.421	4.850	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccccn3)cs2)c(C)n1CC(C)C	800341373	PBBIWCKKHZMGAA-GRSHGNNSSA-N	420.538	4.930	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCC2(c3ccccn3)CC2)c(C)n1C1CCCCC1	802576448	RQTNVWONGFRQMU-QNGOZBTKSA-N	402.542	4.760	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)cc(Cl)c1Br	806903453	JBXNNXVRDRPTCV-UHFFFAOYSA-N	408.605	4.582	50	20	HJGD	
CSSCCNC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	807232430	DQUZGDUCXMESGB-UHFFFAOYSA-N	415.506	4.823	50	20	HJGD	
Cc1cc(-c2cc(C(=O)N(C)CC(Cl)Cl)c3cnn(C(C)C)c3n2)c(C)o1	808246769	JGIDEHXWQZIBJG-UHFFFAOYSA-N	409.317	4.765	50	20	HJGD	
N#C/C(=C/c1cn2ccc(Br)cc2n1)C(=O)c1ccc(F)c(Cl)c1	811694823	VRCBLBQYMYJYFQ-WZUFQYTHSA-N	404.626	4.679	50	20	HJGD	
Cc1nn(C)c(Cl)c1/C=C(\C#N)C(=O)Nc1nc(-c2ccccc2Cl)cs1	812488350	WLRDAHCHGRFZQL-YRNVUSSQSA-N	418.309	4.705	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	817009924	DUMNGHNXGQNHLP-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)c1	914554557	MMPQZBRTPFFHJJ-UHFFFAOYSA-N	424.932	4.795	50	20	HJGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)c1ccc(Br)s1)c1ccccc1	916517574	AKHQMTUCBWMQLR-MRXNPFEDSA-N	424.364	4.632	50	20	HJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	917622189	OLKWZUGQRWCALI-WZUFQYTHSA-N	420.321	4.578	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Oc1ccc(F)cc1	920342541	XYOAFXVXNPLMEK-UHFFFAOYSA-N	401.781	4.937	50	20	HJGD	
Cc1ccc(NNC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)cc1Cl	1117743432	FTHFTWNVXHINLV-UHFFFAOYSA-N	419.312	4.803	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3)CCC2)cc1	1786012404	CUBJBZLFNSYASG-UHFFFAOYSA-N	402.897	4.838	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3coc(C(C)C)n3)CCC2)cc1	1786442184	ALUSVALWPXMNJG-QGZVFWFLSA-N	417.937	4.953	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cc2ccccc2o1	1788585341	ZNKLREXPRPCDTK-SFHVURJKSA-N	400.837	4.715	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1	1789680321	FBLZVQULZANWFF-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)CCC1	1789718899	PCURQJMBDFTQSL-KRWDZBQOSA-N	420.340	4.890	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cccc(F)c1F	1791606822	BPMGCALVHCUHNA-UHFFFAOYSA-N	413.251	4.516	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1	1832386279	QDMGXPPQXKPWKF-WLBKGHODSA-N	423.041	4.842	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)Cc2nc(-c3ccccc3)oc2C)cc1	29342298	JMFVKRONSNKUIW-UHFFFAOYSA-N	422.554	4.553	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cs2)cc1	63276213	KLYCRQOWPUANND-GZTJUZNOSA-N	419.506	4.893	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2csc(COc3ccc(C)cc3)n2)cc1	141425739	WCZOFUSRRWLHKI-WJDWOHSUSA-N	405.479	4.585	50	20	HJGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	727169599	KQOHEZBLRUXVCP-VEJKBTLKSA-N	419.308	4.630	50	20	HJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	727254140	PFLWIMDONNKNAQ-IBGZPJMESA-N	416.525	4.521	50	20	HJGD	
O=C(NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cccc2ncccc12	730272529	RUYUUZWDTCDHAC-XMMPIXPASA-N	420.472	4.575	50	20	HJGD	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NNc3ccc(F)cc3F)c12	733362240	TWTMIFIOYMXHSY-UHFFFAOYSA-N	400.429	4.724	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc(Oc2cnccn2)c1	736456055	XGLQHSWFFFZQJD-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)nc(C)n1	736717263	YKDTVPFGHLXYOC-UHFFFAOYSA-N	409.902	4.780	50	20	HJGD	
Cc1cc(=O)oc2cc(OCCOC(=O)CCCC[C@H]3CCSS3)ccc12	740948868	MSGZHPMLBOFKGL-INIZCTEOSA-N	408.541	4.738	50	20	HJGD	
COc1ccc(C(=O)NN=C(C)c2cccc(-c3ccncc3)c2)cc1Br	741460279	LNXNWOKWJJUGNA-UHFFFAOYSA-N	424.298	4.674	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccncc1	741587653	WSPHBYPEIOZVIW-POEBIKTISA-N	402.473	4.803	50	20	HJGD	
O=P(CCN(CCc1ccc(F)cc1)C1CC1)(c1ccccc1)c1ccccc1	741792246	ODBUQBOFXXFKBO-UHFFFAOYSA-N	407.469	4.847	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)c1	743762620	DTIPYSXNLSFCTJ-KRWDZBQOSA-N	419.485	4.845	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)c1C	746351602	XDQSNQNPTQRMHG-MOSHPQCFSA-N	420.513	4.716	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1csc(-c2ccc(F)cc2)n1	748077497	UUYOPRWKOAZKPH-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2F)cc(C)c1OC(F)F	748187664	MXBFSIYBBOIFRH-UHFFFAOYSA-N	403.198	4.563	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(Oc2cccnc2)cc1	748705036	VUZYKHRKBXJQDN-UHFFFAOYSA-N	403.360	4.572	50	20	HJGD	
CCCCCn1nc(C)cc1NC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	748766176	WLUPFXRVBXVHSG-PKIWBCANSA-N	411.550	4.553	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1	749276293	QVRVMSDCMVTDMA-UHFFFAOYSA-N	421.810	4.574	50	20	HJGD	
C[C@H](CCC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1	750537475	LKOYHVVNYSWUKY-CQSZACIVSA-N	415.419	4.584	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C	754568627	NHEDDQVKHPMELN-QJQCDQNHSA-N	423.532	4.988	50	20	HJGD	
CC(C)(C)Sc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1	756319247	YFVZQYWVTMLADB-UHFFFAOYSA-N	409.511	4.903	50	20	HJGD	
Cc1ccccc1COc1cccc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)c1	756547297	YQDSUMPCQXYRIG-UHFFFAOYSA-N	414.465	4.522	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1cc(F)ccc1SCC(F)F)c1ccccc1	756670876	BPUMXNBEXDPRIC-CQSZACIVSA-N	411.449	4.529	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3cc(F)cc(OC)c3)cs2)cc1	759311379	UMXFWHJMFCMXTO-UHFFFAOYSA-N	401.463	4.504	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC2(CCC2)c2cc(Br)ccc21	765098483	NXBVQCZVGKGJKL-UHFFFAOYSA-N	422.754	4.583	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Br	765614750	ZTUSRQTZCZPXLQ-BJMVGYQFSA-N	408.595	4.983	50	20	HJGD	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)s1	766550177	ZZDCRZSBDPZMEU-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
CCCN(C(=O)c1cccs1)C1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1	769943505	SSRJJCDJFUSBNY-DNTJNYDQSA-N	424.526	4.538	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNc2c(F)cccc2Cl)c(C)c1	770812227	JHGLPFLIZLSEMV-GFCCVEGCSA-N	409.914	4.760	50	20	HJGD	
COCCOc1c(Cl)cc(NC(=O)NNc2c(C)cccc2F)cc1Cl	771173705	GZDQGPHZRKCFMV-UHFFFAOYSA-N	402.253	4.615	50	20	HJGD	
Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	772804932	AZWDZTKZYKBEMD-UHFFFAOYSA-N	424.391	4.786	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])c(OC)c3)o2)c([N+](=O)[O-])c1	774560565	LXXZGIQNDKBNNO-NTEUORMPSA-N	421.365	4.844	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(C(=O)c2cccc(O)c2)cc1	780948497	IYGBUGMSWONIFJ-UHFFFAOYSA-N	401.249	4.687	50	20	HJGD	
CC(C)N(CCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(C)C	782978809	FXCYQATWWVCTBY-UHFFFAOYSA-N	410.474	4.741	50	20	HJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2nnc(-c3ccccn3)s2)c1	788556955	XLRZOQWKYVNCIT-UHFFFAOYSA-N	411.556	4.700	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc(OC)cc2)c(OCc2ccccc2)c1	792316923	NRXNNANBFCSVII-UHFFFAOYSA-N	406.482	4.820	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1cccc(Br)c1	794924961	ZEHRXDIWGHUXFI-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
CCCN(N=Cc1ccc(OC(=O)c2cccs2)c(OC)c1)C(=O)OC(C)(C)C	794997205	RDWKMRDWCDLWFR-UHFFFAOYSA-N	418.515	4.957	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1c(C)nc2sc(C)cn12	797024143	WYEQELGPOZUSLV-AWNIVKPZSA-N	400.891	4.529	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NNc3cccc(Cl)n3)s2)cc1	814299964	DXVQCAJKQYLKBC-LBPRGKRZSA-N	417.922	4.563	50	20	HJGD	
COc1ccc(NNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c(C(F)(F)F)c1	816702569	SFYMDPFOWWBYSQ-UHFFFAOYSA-N	410.783	4.514	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	857706204	XBHRIYVUZLGELW-SINAZASISA-N	405.542	4.954	50	20	HJGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2cccc(Br)c2)s1	914600071	OLLPVQHDUSCPTB-IGVUGNCQSA-N	406.301	4.663	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4c(c3)CCC(=O)N4)c2C)cc1	914736807	QOLWGONMJNWQHO-BKUYFWCQSA-N	424.504	4.833	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCC2(c3ccccc3)CCOCC2)c(C)n1CC(C)C	915179353	CJWUSQKOGJOGNJ-HAHDFKILSA-N	419.569	4.533	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C	915847684	MWNJPWDJYSZPDZ-UYRXBGFRSA-N	404.470	4.748	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2N(C)C)c1C	915868130	TYILFJYHNANFJP-GZQZNAIASA-N	414.937	4.577	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(OC(F)F)cc2)c1C	920491605	LBJPLJDOKVVALW-JJBLJPBOSA-N	418.440	4.564	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1ccc(C(C)(C)C)nn1	1319973735	UWDYTSXPEVUTKH-UHFFFAOYSA-N	409.559	4.622	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2nc(C(F)(F)F)cs2)c1	1323739302	SRJLQASVCRUMQQ-UHFFFAOYSA-N	414.840	4.980	50	20	HJGD	
CCN(CC)C1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)CC1	1327150323	HFLRLKNLRAXSLO-QJOMJCCJSA-N	418.585	4.642	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1OC(F)F)C1CCCCC1	1338943264	POYMKPDTIZNLFE-UKTHLTGXSA-N	400.372	4.587	50	20	HJGD	
CC1(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)CCCCC1	1789650444	OEWRWCNQULWSCA-UHFFFAOYSA-N	416.638	4.942	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)C(=O)CC4)cc2)CCC1	1790887127	QHBWGNPGRAUWDW-HXUWFJFHSA-N	424.928	4.581	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)C(C)(C)Cc3ccccc3)C2)CC1	1805395987	VNZFYVQROVPJSY-HXUWFJFHSA-N	419.009	4.504	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](F)Cl)[nH]n2)CC1	1822099201	HOWOMAQXWBGTLQ-ILXVDBEPSA-N	412.937	4.543	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1	1824628673	BROZHLZVSXWTIT-INIZCTEOSA-N	420.972	4.553	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NNc1ccccc1C(F)(F)F	54565886	MLIKMERIYWNLEH-UHFFFAOYSA-N	411.330	4.715	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2)ccc1OC(=O)c1ccccc1F	211391502	YFDRLGOUAIRWOU-AQTBWJFISA-N	401.393	4.843	50	20	HJGD	
O=C(NN=Cc1cnn(Cc2ccccc2Cl)c1)c1c(Cl)cccc1Cl	727778796	GQOPSBPFHDEXFH-UHFFFAOYSA-N	407.688	4.656	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)c3c(Cl)cccc3Cl)c2C)cc1	727781828	YAQDOXLADXASFO-UHFFFAOYSA-N	415.324	4.927	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2csc(-c3cccs3)n2)cc1OC	728428193	RYKFXJRUFGPKPH-UHFFFAOYSA-N	415.540	4.823	50	20	HJGD	
CCSc1ccc([C@@H](C)NC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	728954707	WOPAECOQAJBXOS-LLVKDONJSA-N	412.342	4.811	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCCc1ccc(Br)cc1F	731010760	MSMBUZHHTOIFPV-AWEZNQCLSA-N	406.386	4.961	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C(F)(F)F)ccc2F)cc1	733205103	KNPJGUJJHVDCMN-ZROIWOOFSA-N	406.335	4.567	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)c1C	733934327	LUYLSOCCZNANSC-YFRCTTNMSA-N	413.484	4.655	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc3ccccc3nc2N2CCCCC2)cc1	734484045	RWXVAMDRCXPKPC-KQWNVCNZSA-N	410.521	4.757	50	20	HJGD	
C[C@@H](CNC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(C)(C)C	734674197	LCLQEPREFSNHQR-INIZCTEOSA-N	404.514	4.528	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCOC[C@H]3c3ccco3)c2C)c1	735026333	ZUKGPSLOVCKPKT-YJADQXIJSA-N	415.493	4.503	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc1	741230019	YEEADQFWRYNZAR-STZFKDTASA-N	420.509	4.745	50	20	HJGD	
C[C@@H]1CCc2c(C(=O)NNc3c(F)cc(F)cc3Br)csc2C1	741980890	VYAHWSSLEXZKHZ-MRVPVSSYSA-N	401.276	4.671	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)c1	743765135	GEFJMIPLAJYDGN-QFIPXVFZSA-N	401.510	4.616	50	20	HJGD	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNc2ccc(Cl)nc2)cc1	743818232	OMKAIJOWDQOVOU-UHFFFAOYSA-N	420.900	4.968	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)cnn1Cc1ccccc1	747591333	RTHKESQELGEHGL-UHFFFAOYSA-N	402.420	4.660	50	20	HJGD	
Cc1c(C(=O)NNc2ccccc2Cl)nnn1-c1ccc(-c2ccccc2)cc1	748318605	SHLMJMMYEBMVJG-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)Nc1cc(Cl)ccc1Cl	748821472	AODXWAXADWQBBU-UHFFFAOYSA-N	420.252	4.632	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cc(-c2cccnc2)nc2ccccc12	755858378	RNZUSVUEPKXPGG-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)Nc1cccc(NC(=O)c2ccccc2)c1	755925741	CMAFCJFHXURSCX-UHFFFAOYSA-N	424.460	4.559	50	20	HJGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	757526091	KXDMIFWVLJNRPQ-KBICQTFXSA-N	420.332	4.502	50	20	HJGD	
CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762668937	XAWJFZXJRWZIPB-MRXNPFEDSA-N	418.428	4.586	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2cccnc2)c1	766486051	XRGIDOJKUFQCKT-CIAFOILYSA-N	413.477	4.832	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)c1noc(-c2ccccc2)n1	768097835	FDPUIFPJHUPDAO-SECBINFHSA-N	410.236	4.570	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNc1cc(C#N)cc(Cl)n1)oc1ccccc12	768392315	JJOWIELKQJEUPU-UHFFFAOYSA-N	407.817	4.663	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2c(Cl)cccc2Oc2ccccc2)cc1OC	769568143	YPYBJBMURZMHDV-UHFFFAOYSA-N	410.857	4.913	50	20	HJGD	
CCCCn1cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c(C)n1	771335186	RHRPGDKRDSOVBN-UHFFFAOYSA-N	419.245	4.530	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cs1	772178911	KVYGEOGEWIMQGV-DHDCSXOGSA-N	409.417	4.896	50	20	HJGD	
COc1cc(C)ccc1CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773398785	QFAVKCXKYNFORM-UHFFFAOYSA-N	424.391	4.916	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ncc(Cl)cc2Cl)cc1OCC	775265447	ORGUCNXSWRTRAS-UHFFFAOYSA-N	418.708	4.986	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NNc1ccc2ccccc2n1	775498555	AIUNENNFELGEKU-UHFFFAOYSA-N	411.465	4.944	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1CCCCC1	777466593	AQDQMYCOOPTGIW-WOJGMQOQSA-N	416.447	4.648	50	20	HJGD	
CC(CCCCN(C)C)=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	781120200	IODLRIYWSSPJQX-UHFFFAOYSA-N	401.938	4.757	50	20	HJGD	
COC(=O)c1sccc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782911371	ZHOKUMVBKAVLFY-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
CO[C@H](C)CN(C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(C)C	784982696	YSEAKYIGJQAKLS-LLVKDONJSA-N	404.401	4.554	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)c(C)s2)c1C	790041809	BNNAGRBCJQFTLV-DEDYPNTBSA-N	420.538	4.729	50	20	HJGD	
CC(C)c1noc(Cc2ccc(NC(=O)NNc3nc4ccccc4s3)cc2)n1	801941953	DAQLNHNNBIILJN-UHFFFAOYSA-N	408.487	4.542	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1	812767572	KMMUKTJNIQTBAF-OUKQBFOZSA-N	405.542	4.514	50	20	HJGD	
C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	814727484	PWSSCDNBRRSXAA-WMLDXEAASA-N	414.889	4.526	50	20	HJGD	
Cc1cccnc1C(F)(F)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817013975	LWMROTVGVFARQT-UHFFFAOYSA-N	413.268	4.663	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)c3ccc(Cl)cc3Cl)c2C)cc1	916359035	FYMRJTYWUCMADL-UHFFFAOYSA-N	415.324	4.927	50	20	HJGD	
COC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cc1	916473972	YHJFRUHXIXBZKO-UYRXBGFRSA-N	408.502	4.875	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)[C@H](C#N)c2ccc3ccccc3n2)c(C)n1C[C@H]1CCCO1	916848700	NQPBPNZEXIQAII-BUVMBAOESA-N	424.504	4.616	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3csc([N+](=O)[O-])c3)n2)c1	917142995	UMXDSPRFRCFEOP-MKMNVTDBSA-N	410.480	4.942	50	20	HJGD	
N#Cc1cccc(NNC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)c1	920920826	MMDVBXHOQLZNTO-HXUWFJFHSA-N	421.298	4.736	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)cn1	1785777321	WFILMBGPJYWXPD-SFHVURJKSA-N	417.912	4.661	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CC3)CCC2)cc1	1786444967	MVWGXMZZOJMGBU-OAHLLOKOSA-N	416.871	4.871	50	20	HJGD	
Cc1cccc(Cl)c1C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788588894	NVKWRKJABRVTLE-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncoc4c3)CCC2)cc1	1790487200	WIYDFDKQONVNPP-KRWDZBQOSA-N	411.889	4.593	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3cc(C)ccc3C)CC2)C1	1806163061	ATHBEWNCEYLKNE-FQEVSTJZSA-N	404.982	4.556	50	20	HJGD	
COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)c2ccco2)cc1	8201031	SXJXLXIIYASTAM-XSFVSMFZSA-N	409.445	4.990	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1	15665823	BVZMBBHCGJKVLI-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)CCc2ccccc2)c1C	727343462	LXPLWQLCXDGCBE-IQJJTXKVSA-N	407.558	4.747	50	20	HJGD	
C[C@@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)NNC(=O)C3CCC3)c2C1	732140708	AQETUMLJAUJOOK-PWVLXBNSSA-N	415.493	4.512	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cccc2c3c([nH]c12)CCCC3	732978365	NBVKSGTVNGAARV-UHFFFAOYSA-N	407.861	4.507	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1oc2ccccc2c1CSc1cccs1	735688845	ZYNRSFWNYAPOEG-UHFFFAOYSA-N	416.915	4.987	50	20	HJGD	
CC(C)(C)c1ccc(-c2ccc(C=NNC(=O)c3nnc(O)c4ccccc34)o2)cc1	743426450	HDYOAGDZLFCSLM-UHFFFAOYSA-N	414.465	4.657	50	20	HJGD	
N#C/C(=C/c1sc2ccccc2c1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1	744855034	TXDCUUWBCLJGJZ-SQFISAMPSA-N	423.925	4.937	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	746689668	QLYYEYVTQHMATM-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C	747989393	XCYAJARKPUDVRZ-QGZVFWFLSA-N	408.424	4.747	50	20	HJGD	
O=C(NN=C1CCC2(CCOCC2)CC1)c1cc(-c2ccco2)nc2ccccc12	751522789	SEOKWNPDVOCLGZ-UHFFFAOYSA-N	403.482	4.951	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc2ccc(F)cc2nc1C	753168472	JEBRBFPCIMTBBG-UHFFFAOYSA-N	402.267	4.764	50	20	HJGD	
CCc1nn(C)c(CC)c1C=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	755512645	QDZLEDBJAIXYGO-UHFFFAOYSA-N	424.932	4.541	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cnc(Cc3ccccc3)s2)cc1	755623048	NJXUDHQHSXTIRK-UHFFFAOYSA-N	424.595	4.708	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)Nc1ccc(C(=O)Nc2ccccc2)cc1	756261477	DGSQEXYWETVWHG-UHFFFAOYSA-N	424.460	4.559	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)NNC(=O)c1ccc(Cl)cc1OC	758284963	KOJQBMAUTQJPRK-UHFFFAOYSA-N	419.909	4.520	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@@H](c1cccc(Cl)c1)c1ccccn1	761797782	JAIDAYLIEYWKBH-SFHVURJKSA-N	406.795	4.568	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)c1cc2ccccc2o1	762448509	IECYJIUYPAJNEX-WMZOPIPTSA-N	411.502	4.718	50	20	HJGD	
O=C(NC[C@H]1CC1(Cl)Cl)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762641139	NQCQVWIIBGCIQR-SSDOTTSWSA-N	413.195	4.593	50	20	HJGD	
C[C@H]1CN(CCCNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCO1	763854914	OTQHUHVIXYXWOS-ZDUSSCGKSA-N	417.444	4.966	50	20	HJGD	
CCC(C=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)CC	764764704	VYFUWIJCPKDLMW-UHFFFAOYSA-N	408.618	4.769	50	20	HJGD	
Cc1ccnc(Oc2ccc(NC(=O)NNc3ccc(OC(F)(F)F)cc3)cc2)n1	770060423	JOIYCWZZZRNIMU-UHFFFAOYSA-N	419.363	4.625	50	20	HJGD	
C[C@H](CBr)COC(=O)c1oc2ccccc2c1CSc1ncccn1	770358328	LOYUMQBELNWNGB-GFCCVEGCSA-N	421.316	4.703	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1	771104766	POINHSUIVIZRIG-UHFFFAOYSA-N	408.481	4.658	50	20	HJGD	
COC(=O)CCSc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1	775691654	BZRDZXXLPQWAHB-UHFFFAOYSA-N	413.421	4.509	50	20	HJGD	
CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C12CCC2	777974172	ZPUJKTIXOSWBQO-UONOGXRCSA-N	421.453	4.970	50	20	HJGD	
C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778058114	IMGZDNZZUISRCH-LBPRGKRZSA-N	422.485	4.695	50	20	HJGD	
C[C@@H](Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CCS(=O)(=O)CC1	779049876	SWNRFRUTVFIPPJ-YGRLFVJLSA-N	401.903	4.531	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	785362057	KMNRPYTVBPHBLO-BOPFTXTBSA-N	403.388	4.763	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(OC)c1)c1ccccc1	787146327	WNRKYTPYGDDVHD-RLGUWMIQSA-N	418.415	4.811	50	20	HJGD	
CCCOc1cc(OC)ccc1C(=O)NNc1ccc(Br)cc1Cl	789818171	DESHGEDMOAPWIS-UHFFFAOYSA-N	413.699	4.657	50	20	HJGD	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NNc1cccc(F)c1[N+](=O)[O-]	790589424	YTVQYMKSDIOFHR-LUAWRHEFSA-N	401.394	4.758	50	20	HJGD	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCCSSC)cc1	791116032	DMNXKTTVEKDTDP-UHFFFAOYSA-N	400.569	4.904	50	20	HJGD	
C[C@H]1OCC[C@@]12CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CCO2	791863080	RVWAIEABNGJFCX-IAQYHMDHSA-N	402.385	4.756	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCCc3ccc(F)cc32)c1C	794058191	AUGCMSWBBKFKCU-CCBPVHQSSA-N	409.505	4.552	50	20	HJGD	
C[C@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C[C@H](C2CC2)O1	795207548	DCMDMVRFXOVKNS-IINYFYTJSA-N	407.426	4.532	50	20	HJGD	
Cc1ccc(NC(=O)N(C)C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	798083330	BUUNLBCIZCQTBZ-RGVLZGJSSA-N	421.545	4.709	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC=C(c3ccccc3)C2)c(C)n1C[C@@H]1CCCO1	803678675	HDLXEZVAIZPLBO-JCHYSQADSA-N	415.537	4.507	50	20	HJGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804210161	GOYQZZSNLSQYHY-WEVVVXLNSA-N	423.398	4.800	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cc(Cl)c(Cl)nc2C)cc1	805152223	NYKTYHGTCICQJZ-UHFFFAOYSA-N	411.358	4.671	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2cnc3ccccc3n2)cs1	811462097	UIEAUIIUBRNSPK-UHFFFAOYSA-N	421.501	4.622	50	20	HJGD	
Cc1nn(C)c(Cl)c1/C=C(/C#N)C(=O)Nc1nc(-c2ccccc2Cl)cs1	812488349	WLRDAHCHGRFZQL-XFFZJAGNSA-N	418.309	4.705	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl	812769359	CUJAYBQCCZCNEA-CYBMUJFWSA-N	408.329	4.687	50	20	HJGD	
CCCc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1	914463290	STCQQJCTBMYZDM-LTGZKZEYSA-N	409.493	4.962	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2	914843898	DQPZPNSBSGPNHP-JQIJEIRASA-N	417.534	4.734	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2cc(Br)ccc2F)cc1OC	916347766	KZGPQXMMOPXTBK-UHFFFAOYSA-N	423.282	4.540	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1cccc(OC)c1	918713042	JHRSWWBFRHPOHU-UNOMPAQXSA-N	400.482	4.756	50	20	HJGD	
C[C@@H](Sc1ccc(Br)cn1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	919676608	IKSIOELSPGDIJV-IQHDWMNZSA-N	418.341	4.847	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1	1251519581	QBVMOEDQVVRAMV-MRXNPFEDSA-N	413.827	4.844	50	20	HJGD	
Cc1cc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)ccc1F	1791607126	PBKKPQRHKJEILD-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(OC)c1OCc1ccccc1	8270168	MBTYCPZPFGEHMN-DEDYPNTBSA-N	420.509	4.639	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	16019479	VMCJESMHBNOCDU-KGENOOAVSA-N	412.493	4.907	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc(C(F)(F)F)c2)c1C	24161337	IWQQDLNOIOZIHG-RPJLVFAOSA-N	420.431	4.982	50	20	HJGD	
CC(C)C[C@H](NC(=O)NNc1cncc(Cl)n1)c1cccc(C(F)(F)F)c1	726851646	TXQNQRUXZRUJMH-ZDUSSCGKSA-N	401.820	4.562	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(C(=O)NCC(C)C)c2)c1C	727506885	HLLVLNAGBPKFJV-QRVIBDJDSA-N	421.541	4.551	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H](CCc1ccccc1)c1ccccc1	727845323	KKUHINNCMDZKOT-DEOSSOPVSA-N	415.537	4.714	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](Sc2ccccc2F)c2ccccc2)o1	729968290	MXRRYTJCLHBWPV-GOSISDBHSA-N	410.474	4.785	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NN=c2cc[nH]c3ccccc23)c(-c2ccccc2Cl)n1	731052290	IQEHOFGLNPEUPJ-UHFFFAOYSA-N	419.916	4.686	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc([C@@H]4C[C@H]4C)o3)cc2)n1	732761364	FIAXQGGEDBQNKX-JLTOFOAXSA-N	420.538	4.866	50	20	HJGD	
C/C=C/COc1ccc(CCC(C)=NNC(=O)c2cnn(-c3ccccc3)c2)cc1	733077138	JJNGLJIOWGIIIE-IYQQPZFXSA-N	402.498	4.566	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1ccc(Cl)s1	734068747	IEZNOFJBEMYLIS-MRXNPFEDSA-N	401.919	4.579	50	20	HJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2csc(N(C(C)=O)C3CC3)n2)cc1	734305975	IWBJOUINRZKDCG-MPMPPSQCSA-N	408.527	4.718	50	20	HJGD	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	741960680	WLBWLRAFGUOWQR-BXDIUNCMSA-N	421.541	4.707	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F	742035691	WCHMYEQVSDMMQC-SECBINFHSA-N	405.203	4.577	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cc(C)c(C)cc1OC(F)F	742349595	HOEYKRXSYYMZDW-SXGWCWSVSA-N	416.424	4.816	50	20	HJGD	
C[C@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1cccc(-n2cccn2)c1	745928033	RTZQYJKYTCWFQP-FQEVSTJZSA-N	411.509	4.854	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNc2ccc(Cl)cc2Cl)c1C	748018857	QDVWCIJXEBHSAD-KHAFMBKQSA-N	421.328	4.669	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCN1C(=O)CCc2ccccc21	748673556	LEUIDHRQIRGLJA-UHFFFAOYSA-N	407.539	4.693	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2-n2ccnc2C)c1C	748719809	AAJYNRGICQOIIA-HZHRSRAPSA-N	415.541	4.623	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)[C@H](C)c1ccc(Br)s1	748736880	JKUXTILMDKEUPA-SECBINFHSA-N	418.154	4.828	50	20	HJGD	
C[C@H](Nc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccn1	749267560	INJMONCBBGPCIM-ZDUSSCGKSA-N	411.849	4.573	50	20	HJGD	
Cc1nn(C)c2ncc(/C=C(/C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc12	750892366	GYCSBLLFSXJQTF-PDGQHHTCSA-N	409.449	4.615	50	20	HJGD	
C[C@@H](C#N)CSc1ccccc1NC(=O)NNc1ccc(OC(F)(F)F)cc1	770025031	MHOVKTPKHQUOID-LBPRGKRZSA-N	410.421	4.986	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	771125759	WASYHSMBFXSWBI-UHFFFAOYSA-N	402.813	4.781	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2ncc(Cl)cc2Cl)cc1OC	775271134	CHKVCTWOAPTIDM-UHFFFAOYSA-N	418.708	4.986	50	20	HJGD	
O=C(O)c1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c(O)c1	777607767	MDLQXKYKBYROKZ-UHFFFAOYSA-N	419.349	4.549	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc([N+](=O)[O-])s3)n2)c1	782181335	YHMOQMNOAVTYCN-JYRVWZFOSA-N	410.480	4.942	50	20	HJGD	
N#C/C(=C/c1cc(C(=O)O)cs1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	782200278	KZWAGLPPURURBY-YHYXMXQVSA-N	415.883	4.769	50	20	HJGD	
Cn1nc(Br)cc1/C=C(\C#N)c1nc2cc(C(F)(F)F)ccc2s1	782323257	LRUXRIXIVXTQIY-XBXARRHUSA-N	413.222	4.875	50	20	HJGD	
O=C(NN=Cc1cnn(Cc2ccccc2)c1Cl)c1c(Cl)cccc1Cl	789003612	CUQPXHPHLRJDKS-UHFFFAOYSA-N	407.688	4.656	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ncc[nH]1	790144189	KEMRJXDOSGXQJU-UHFFFAOYSA-N	410.477	4.810	50	20	HJGD	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(Cl)c(OC)c1	790178008	PLQZCTXRHYGQMY-UHFFFAOYSA-N	409.895	4.906	50	20	HJGD	
CCCCc1ccc([C@@H](NC(=O)NNC(=O)c2cccc(C)n2)c2cccs2)cc1	792793600	WVIFKLFGLAHWBG-OAQYLSRUSA-N	422.554	4.528	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1c(-c2cccc(Cl)c2Cl)noc1C	797750362	UWPIGZKROKXHJZ-UHFFFAOYSA-N	420.252	4.500	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1ccc([N+](=O)[O-])cc1	797948273	OUOXVIBTUZDSIJ-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc(OC(F)F)cc3)s2)c(F)c1	800521304	ZILGXDBUBWNAPM-UHFFFAOYSA-N	423.416	4.625	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	805383378	YSMBABTWGZYLAJ-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
O=C(NNc1cccc(F)n1)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	806339251	CZTYVTBNJUTSAZ-UHFFFAOYSA-N	416.844	4.730	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc(Cl)c1Br	807033315	MCBWWSGCKDRLPL-UHFFFAOYSA-N	417.694	4.625	50	20	HJGD	
Cc1noc([C@@H]2CCCCN2C(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)n1	807756078	KOQPGYATWUGWJJ-OABJIQBASA-N	409.534	4.503	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1C	812717199	YGJJPSLUUHPPEM-UHFFFAOYSA-N	421.478	4.798	50	20	HJGD	
C[C@@H](NC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(OC(F)F)cc1	918212489	IAAQNRABORSYME-MRVPVSSYSA-N	424.757	4.743	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1-c1ccccc1)c1ccccc1	920065511	SZCGCSTXPICTQI-RGHBXIHOSA-N	411.292	4.963	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1C	1321612838	XPHJJWDTYDWLOQ-JWGURIENSA-N	422.573	4.528	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cnn1C	1322759070	YZHUEDMQISJCEG-MXDDHBLUSA-N	421.932	4.574	50	20	HJGD	
CC(C)(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)c[nH]1	1787041364	SWTKUZMHAFNTTA-UHFFFAOYSA-N	422.356	4.864	50	20	HJGD	
Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)cc1	1788587681	LFDRLTTXYGPWDO-HXUWFJFHSA-N	402.897	4.596	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4c3)cc2)CCC1	1789014291	CTQIVGASACNEME-NRFANRHFSA-N	421.928	5.000	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)[C@](C)(Cl)CCl)cc2)CCC1	1790488854	FXJJPIYYLVQGAE-GOSISDBHSA-N	419.780	4.622	50	20	HJGD	
CSc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)cc1	1791735041	BJCASVCPVMKKAV-LJQANCHMSA-N	420.937	4.620	50	20	HJGD	
CCCCC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CO[Si](C)(C)C)CC1	1829103255	FRSWQSDCSSRNAW-CTNGQTDRSA-N	424.702	4.674	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2Cl)CC1	1830309891	MSBZCDYWOAOJIX-GOEBONIOSA-N	417.402	4.652	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1	1831790675	NKZRYVXQJUYEEU-IBGZPJMESA-N	411.030	4.842	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc(-c3ccsc3)no2)c(C)n1CC(C)C	7634008	PYTTWWNEIVZRLV-QGMBQPNBSA-N	410.499	4.523	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(Oc2cccc(Cl)c2)cc1	728079727	YCFMRSMRYPNRBR-UHFFFAOYSA-N	406.829	4.939	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)c2nccs2)c1C	728848817	DVWZSWMZUOSMIF-JCZXDDDQSA-N	404.539	4.784	50	20	HJGD	
CN(CC1CCN(C(=O)CCCC[C@H]2CCSS2)CC1)C(=O)OC(C)(C)C	728897474	OPFOMGCJUGWWQA-KRWDZBQOSA-N	416.653	4.806	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc2c(c1)CCC(C)(C)O2	731563027	KTHJSKVAONBICY-LDADJPATSA-N	406.482	4.702	50	20	HJGD	
Cc1cc(NNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)ccc1Br	734254864	LRKYMDNQLNPEIN-UHFFFAOYSA-N	420.694	4.752	50	20	HJGD	
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1c(F)cccc1F	735691495	CFXTXIJFUNQONA-UHFFFAOYSA-N	420.419	4.583	50	20	HJGD	
O=C(NNc1cccnn1)c1sc(-c2ccccc2)cc1OCc1ccccc1	736698586	JHPKPDNRPHKHLG-UHFFFAOYSA-N	402.479	4.541	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)c1C	741944161	ZFIOTFWJMKNFAY-MOSHPQCFSA-N	403.486	4.809	50	20	HJGD	
C[C@H]1CCCN(Cc2csc(NC(=O)NNc3ccc(C(F)(F)F)cc3)n2)C1	746671772	OOOCLWRFIBLUAG-LBPRGKRZSA-N	413.469	4.542	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Cl)c(F)c2)c2ccc(Br)cc2n1	746699517	DMPUSHAGKSYCNL-UHFFFAOYSA-N	408.658	4.855	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1	748583933	JAUXYGWCPPBNEV-JYRVWZFOSA-N	405.332	4.558	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1	752407705	KQPJTVCBKVWPLW-PGLNOLGZSA-N	410.514	4.953	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccc(C#N)c(Cl)c3)c3c(C)noc3n2)c(C)o1	753318061	ZEVDXEYUMHIMQJ-UHFFFAOYSA-N	421.844	4.690	50	20	HJGD	
O=C(COc1ccc(Oc2ccccn2)cc1)NNc1cc(C(F)(F)F)ccc1F	754152298	HAHXSWVXWCTMDF-UHFFFAOYSA-N	421.350	4.554	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)ccc1NC(=O)CC(C)C	754153825	OUSJXUGLGWPEOH-UHFFFAOYSA-N	411.399	4.894	50	20	HJGD	
CCCOc1cc(F)ccc1NC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	760194441	OWQKMZJJRGLUPM-YDDPGSGASA-N	413.493	4.786	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cnc1Cl	760223635	HVXAFKHRZUGASM-UHFFFAOYSA-N	415.884	4.660	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)N[C@H](c1cccc(Cl)c1)c1ccccn1	761789764	IOMOJEMNULCCBM-GOSISDBHSA-N	405.260	4.943	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cn(Cc3ccccc3)nc2C(C)(C)C)n1	763290806	SCAYKJQKXZRDHC-GZTJUZNOSA-N	420.538	4.926	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1CCO[C@@H](C2CC2)C1	765121473	TUXIDLKTWLAWFC-LNSITVRQSA-N	408.873	4.985	50	20	HJGD	
CC(C)(C)c1ccc(Oc2ccc(C(=O)NNc3cc(C#N)cc(Cl)n3)cn2)cc1	768711778	DSIVSWBANHYKLF-UHFFFAOYSA-N	421.888	4.848	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cc1O	773144821	NMRWOFOFOCRFMP-WCIBSUBMSA-N	410.626	4.746	50	20	HJGD	
Cc1cc(C(=O)NNc2ncc(Cl)cc2Cl)cc(C)c1OCc1cccnc1	775264656	QGQIBIYSXYSEKZ-UHFFFAOYSA-N	417.296	4.736	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1OCC(F)(F)F	775481541	NHSLIPJVVDVASW-UHFFFAOYSA-N	423.313	4.804	50	20	HJGD	
CN(C(=O)c1ccccc1NC(=O)NNc1c(F)cccc1F)C1CCCCC1	775541009	RWSKBMVQWPSONE-UHFFFAOYSA-N	402.445	4.518	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cccc(C)c1OC(F)F	777869323	HWKIRYXMENYIFW-DHDCSXOGSA-N	402.397	4.508	50	20	HJGD	
O=C(Cc1nc(-c2ccc(F)cc2)cs1)NNc1ccccc1OC(F)(F)F	779208660	CVQKYZLXFATFIK-UHFFFAOYSA-N	411.380	4.534	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H]1CCc2ccc(-c3ccccc3)cc21	779687367	LEFYYMPDORHDEJ-HSZRJFAPSA-N	422.488	4.533	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(COCc3ccco3)c2)ccc1Cl	788572252	MJVXRQLMLBORTG-UHFFFAOYSA-N	401.850	4.807	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)n1	791904918	RPPPCVZTOOQLFJ-UHFFFAOYSA-N	419.272	4.736	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1	792881192	KJUNEUIHTIGHCL-QHCPKHFHSA-N	418.698	4.753	50	20	HJGD	
O=C(NC[C@H]1CCCC(F)(F)C1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	799991737	IAIAXHOHAPGPGH-HNNXBMFYSA-N	402.445	4.515	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccc(Oc2cccnc2)cc1	807619233	TVWITNHNQCXBBX-LBPRGKRZSA-N	402.376	4.679	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3cn(C)nc3C(F)F)n2)cc1	812241150	DMXRHDAADHGDIH-ZSOIEALJSA-N	413.453	4.589	50	20	HJGD	
CCOc1ccc(C(=O)NN=Cc2c(Cl)ccc(Cl)c2Cl)cc1OC	818252557	KFOCKFJLBUQBFA-UHFFFAOYSA-N	401.677	4.818	50	20	HJGD	
COc1ccc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cc1OC	857441416	PLSWGSSRHGSHJA-HYARGMPZSA-N	423.557	4.734	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1sc(NC(=O)c2ccco2)cc1C	899894466	DUCVIZJBBFUDKP-UHFFFAOYSA-N	400.412	4.646	50	20	HJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1cc2c(s1)CCC2	914559428	NGRQYPXQYLOCHH-UHFFFAOYSA-N	412.946	4.963	50	20	HJGD	
C[C@H]1CN(Cc2ccc(CNC(=O)CCCC[C@@H]3CCSS3)cc2)C[C@@H](C)O1	914870158	TXPYDCMIDZJZNG-LVCYWYKZSA-N	422.660	4.626	50	20	HJGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c1OC(F)F	915863942	UGTLTQSPFXJZRX-LCYFTJDESA-N	421.469	4.986	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(CSC(F)F)o1	916336905	SCMCNHUNWJTNKT-ZDUSSCGKSA-N	404.438	4.806	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)N[C@@H](CC(C)(C)C)c3ccccc3)n[nH]2)cc1	916518173	KOLBFHZTNHJZIM-NRFANRHFSA-N	419.529	4.507	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)c1cccc(Cl)c1	921073215	BULGOHVYFDVLRA-UHFFFAOYSA-N	409.698	4.502	50	20	HJGD	
CC(C)c1cccc(NC(=S)NNC(=O)NCc2cccc(C(F)(F)F)c2)c1	921272652	WYLNNINNGIXVKI-UHFFFAOYSA-N	410.465	4.530	50	20	HJGD	
CCN1CCC[C@H](CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	1251664909	SNWPXWUAJXMTRB-DOMZBBRYSA-N	409.905	4.759	50	20	HJGD	
C[C@H](OC1CCCCC1)C(=O)NNc1ccc(Br)cc1C(F)(F)F	1321830251	JZZCTDREULVMFS-JTQLQIEISA-N	409.246	4.649	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncccc34)CCC2)cc1	1786443262	DXYMFEAQCSLNSP-LJQANCHMSA-N	424.932	4.718	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)c3ccsc3)cc2)CCC1	1787286395	UZTVQKNSPAAISF-MRXNPFEDSA-N	421.360	4.669	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1	1791360212	SIVCKXIQHSYVQC-INIZCTEOSA-N	409.368	4.730	50	20	HJGD	
O=C(NNC(=O)c1ccccc1SCc1cccs1)c1cccc(Cl)c1	15716492	YZNIBEGNDMGALB-UHFFFAOYSA-N	402.928	4.769	50	20	HJGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)S(=O)(=O)c1cc(Cl)ccc1Cl	40161565	BBAJISJFYKHMRX-FLIBITNWSA-N	412.685	4.633	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cs2)cc1	63276283	RNHRPQRULRMKKP-BOPFTXTBSA-N	419.506	4.893	50	20	HJGD	
CCCn1c(NC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)nc2ccccc21	115345849	GXXJWTHUNPTTCG-VJOZSWGJSA-N	419.529	4.618	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OCCCC#N)c2)c1C	208609184	VAXWHGCFQSPJKP-KOMLCTQHSA-N	420.513	4.541	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccc(SCc3ccccc3)cc2)c1	727500234	SGIRABQEFNQOCK-UHFFFAOYSA-N	417.559	4.592	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(OCC(F)(F)F)c2C)cc1	727741736	JPKZDSQJVJAVBH-LFIBNONCSA-N	404.388	4.881	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(F)ccc2Cl)c(C)n1C[C@@H]1CCCO1	728007247	HJPVXKRUIDXSDB-VUZIPCMWSA-N	401.869	4.622	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1cccc(Cl)c1)c1ccc(Cl)cc1O	730207987	BPFUUKFQVMRGJP-UHFFFAOYSA-N	422.293	4.770	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(N(C)C(C)C)c2)c1C	731585093	MZGUYFLNNXDHEA-UMUMUWHJSA-N	408.546	4.703	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc1OCc1ccccc1	732715102	KJCCCPFRGVXTCK-RCCKNPSSSA-N	404.510	4.972	50	20	HJGD	
CC(C)Sc1ccc([C@H](C)NC(=O)NNC(=O)NCc2ccc(Cl)cc2)cc1	732995419	LTLFWIFMLKEPTA-AWEZNQCLSA-N	420.966	4.615	50	20	HJGD	
N#Cc1ccc(-c2cccc(CNC(=O)NNc3cc(F)c(F)cc3F)c2)s1	740483737	VWGWOWKLBUTSID-UHFFFAOYSA-N	402.401	4.530	50	20	HJGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743558822	XLELMUBXCBEOEL-GOSISDBHSA-N	402.498	4.629	50	20	HJGD	
COC(=O)c1ccc(-c2nc(COC(=O)/C(C#N)=C/c3ccc(C)cc3)cs2)cc1	747918899	PUXQGARAJCWNTH-YBFXNURJSA-N	418.474	4.556	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(O[C@@H](C)CC)c2)cc1	749451543	IKPKLQPDLDDOAT-UEIJICEPSA-N	422.481	4.595	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3ccc(F)cc3)CC2)c1C	752455821	FMZUKILRGRSBAW-NLKUQUHMSA-N	423.532	4.765	50	20	HJGD	
COC(=O)C1CCC(=NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)CC1	754910222	JXTLLNMKUBYAQW-UHFFFAOYSA-N	415.493	4.659	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1cccc(C2SCCS2)c1)c1ccccc1	755535528	PPLBYGYBYYAGAW-QGZVFWFLSA-N	401.557	4.512	50	20	HJGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)c2ccc(COc3ccccc3)o2)c1	756823600	NJVUQDUBDLOGGF-UHFFFAOYSA-N	400.381	4.532	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c(OC)c1	760807520	PXNDKXIXXVVCBP-GHXNOFRVSA-N	411.255	4.737	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c(C)n1CC(C)C	760831241	BYIDWMWKZLFABK-KKJJZKEWSA-N	417.513	4.595	50	20	HJGD	
C[C@H](c1cccnc1)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762648499	YMCQTPOZQORJFO-LLVKDONJSA-N	409.380	4.897	50	20	HJGD	
N#Cc1cccc(OCc2ccoc2C(=O)NNc2c(Cl)cccc2Cl)c1	763617837	UAKWMSKKGXYSNR-UHFFFAOYSA-N	402.237	4.794	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(F)cc2)c1	766670997	FVEJMSRUENXXQU-CPNJWEJPSA-N	402.425	4.959	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c2cccc(Cl)c2F)c1C	770144031	GMISCXGXKARPDD-SFQUDFHCSA-N	417.912	4.502	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1OC	772174620	CCSAOLZBQWUHJB-YIXHJXPBSA-N	422.225	4.924	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ncc(Cl)cc2Cl)cc1OC	775273200	UGDBDAPZMZXWCC-UHFFFAOYSA-N	404.681	4.596	50	20	HJGD	
COc1ccccc1CN(Cc1cccs1)C(=O)/C(C#N)=C/c1ccc(O)cc1	776627822	LFSSLYRKVOGJIF-CPNJWEJPSA-N	404.491	4.598	50	20	HJGD	
COc1ccc(NNC(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)nc1	782033441	KPMYEPOTNUTWNQ-UHFFFAOYSA-N	419.416	4.718	50	20	HJGD	
O=C(NN=Cc1ccc2cnccc2c1)c1cn(-c2ccccc2)nc1-c1ccccc1	782114178	JKLRRSSYBFIFKP-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNc2ccc(OC(F)F)cc2)c(C)c1	784311999	HNRIVVUHXWPTRW-CYBMUJFWSA-N	423.485	4.569	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1	784446057	GVCDBTNPKCNKIK-UHFFFAOYSA-N	416.346	4.653	50	20	HJGD	
Cc1c(Cl)cccc1C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	784825291	UCDHGMWKBQRDCP-UHFFFAOYSA-N	422.259	4.952	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)C3CCC(F)(F)CC3)s2)cc1	788709556	MCRBUBZFLHEOQE-UHFFFAOYSA-N	407.486	4.937	50	20	HJGD	
CC(C)N(C)c1ccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cn1	790208798	LCOVLPCQOYSHPU-XNTDXEJSSA-N	405.527	4.579	50	20	HJGD	
COc1ccccc1-c1nc(C2CCN(/C(=C\C#N)c3ccc(F)cc3)CC2)no1	792332644	DFHLPZIURQNEON-JMIUGGIZSA-N	404.445	4.628	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@@H]2CN2CCOCC2)cc1	792868668	VOXOFIFPOKLIEF-JOCHJYFZSA-N	404.671	4.505	50	20	HJGD	
CC(C)O[C@@H](C=NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	792998761	HAXROVHYWFGPLD-KRWDZBQOSA-N	409.711	4.984	50	20	HJGD	
CCN(Cc1ccccc1Cl)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	914502023	PRKCSGCXOPNKSG-WCEBZYJUSA-N	413.949	4.921	50	20	HJGD	
O=C(Nc1ccc(N2CCCCC2)nc1)NN(Cc1ccccc1)c1ccccc1	915698039	RDHKFYXXOQSDRT-UHFFFAOYSA-N	401.514	4.815	50	20	HJGD	
O=C(/C=C\c1ccc2ccccc2n1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	916831320	VMNVKYHPGFCQCA-KAMYIIQDSA-N	417.465	4.577	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(-c3ccccc3)o2)c1C	917787281	ANMLRNWCTCOOHP-MNOULKQQSA-N	417.509	4.796	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNC(=O)N[C@H](C)c2c(F)cccc2F)cc1	918102644	ZQWKLQOPCLGGRY-OAHLLOKOSA-N	419.472	4.629	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cccc(OC(C)C)c2)c(C)n1C[C@H]1CCCO1	918951562	AQALLAXPTRVXHU-RWTNITNYSA-N	422.525	4.722	50	20	HJGD	
N#C/C(=C/c1cn2cc(Cl)ccc2n1)c1nc(O)c2c3c(sc2n1)CCCC3	920754836	DTSKUTHIHPYRLW-XFFZJAGNSA-N	407.886	4.641	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC(=O)c2ccccc2Cl)c1	1252907190	NFUPQZKJXGQOOP-UHFFFAOYSA-N	410.905	4.731	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNc3cncc(Br)c3)c(F)c2)cc1	1253717804	CQHCQJZUEOJNKT-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccccc1	1791337250	BSHXYGSVTMOITB-QRWLVFNGSA-N	402.897	4.849	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1C	5870186	VHQUUYFKRAZQAY-YAJBTMAUSA-N	413.905	4.646	50	20	HJGD	
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	23893287	NMERRDSGFRGICX-PGSLAOOBSA-N	406.492	4.739	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2CN2CCSCC2)c1C	61285364	VMYLXMJIRKXZBN-JCMHNJIXSA-N	422.598	4.609	50	20	HJGD	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)cc1	105286368	KVHCRKKYKDHVML-SBGXLDQMSA-N	408.546	4.704	50	20	HJGD	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NNC(=O)c1ccccc1Cl	108108013	CITRTHBMTFDBNR-SECBINFHSA-N	403.718	4.589	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c[nH]c2c1	141802124	WWSCBEJKVBTVNL-YBEGLDIGSA-N	411.421	4.575	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccccc1Oc1ccccc1	725875866	WONVJZLGDHAGGK-SFHVURJKSA-N	403.482	4.503	50	20	HJGD	
CC(C)(C)OCc1cccc(CNC(=O)NNc2ccc(F)cc2Br)c1	726280016	JPNCLLTVFYCPDD-UHFFFAOYSA-N	424.314	4.730	50	20	HJGD	
CCC[C@H](C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1	728215077	WLUAKDJHXSOUAI-QFIPXVFZSA-N	423.538	4.514	50	20	HJGD	
Cc1nn(Cc2ccccc2)c2sc(C(=O)NNc3ccc(F)c(F)c3F)cc12	728718450	JUZCPSVETYNLKW-UHFFFAOYSA-N	416.428	4.629	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2C)c1C	729235947	GIRSCBHPZKVEPD-UOIFGXKSSA-N	407.514	4.609	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(SC(=O)N(C)C)c2)c1C	729242765	BYHJDFAFLPNILI-PDGQHHTCSA-N	410.543	4.834	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C#N)cn2)c(C)n1-c1ccc(Cl)cc1	731989311	VCXMARVEPQOYOO-VCHYOVAHSA-N	401.857	4.560	50	20	HJGD	
COC(=O)NCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cc1	735259562	QHZXVRCMSMJLAM-FYJGNVAPSA-N	422.529	4.553	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2OC(C)C)c1C	735637537	JECFTWDUGRHXFO-LDADJPATSA-N	415.921	4.738	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(F)(F)F	743289071	MYZUOJCDRXOCBT-NSHDSACASA-N	421.806	4.515	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(-c2ccccn2)c1	747741411	UDPGVCXMRXPHHH-UHFFFAOYSA-N	404.520	4.601	50	20	HJGD	
Cc1cccc(-n2c(NNC(=O)c3cc4ccccc4o3)nc3ccccc3c2=O)c1C	752008209	YITBNUOVDIGPKN-UHFFFAOYSA-N	424.460	4.506	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)NNC(=O)c2cc(Cl)ccc2O)c1C	756871499	MOGVKOZLHXRQND-UHFFFAOYSA-N	419.909	4.526	50	20	HJGD	
CNC(=O)COc1cccc(CC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762517834	GFRBBHSITWKGIQ-UHFFFAOYSA-N	424.391	4.650	50	20	HJGD	
CC(C)(CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCOCC1	762976125	RMEFGRWNZNRBEL-UHFFFAOYSA-N	403.417	4.576	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)cc1C	766555703	JYDGUYQCHAIXGH-UZLBHIALSA-N	405.608	4.777	50	20	HJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNc3ncnc4ccsc34)cs2)cc1	766671144	FJFPAEKTIUVIPW-UHFFFAOYSA-N	409.540	4.624	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCOC3(CCC3)C2)c1C	768939074	WEFSZAZEMSYGTK-AMUNLKFJSA-N	403.526	4.527	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1	775632625	NOWQWLIYFZUYJH-UHFFFAOYSA-N	418.297	4.667	50	20	HJGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)c1nc(O)c2cc(Br)ccc2n1	776720650	RNBKTNMAJAARIR-KMKOMSMNSA-N	404.626	4.955	50	20	HJGD	
CC/C=C\CCOC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	781869171	OSSNKVXUWWDMNW-XJWLCZITSA-N	408.889	4.924	50	20	HJGD	
O=C(NN=C1CCC2(CCCO2)CC1)c1cn(-c2ccccc2)nc1-c1ccccc1	788016801	MPGDWVDSBDHPHW-UHFFFAOYSA-N	414.509	4.748	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)ccc1Cl	790171901	YHBLSFOYSOHUGV-UHFFFAOYSA-N	414.893	4.744	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn(C(CC)CC)c1CC	790882609	AQSULKFPOGXBRO-UHFFFAOYSA-N	407.356	4.888	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NNc1ncccc1C	792376267	LPZUQSQZGKFYEE-UHFFFAOYSA-N	409.877	4.753	50	20	HJGD	
C[C@@H]1CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C[C@@]2(CCCOC2)O1	792880229	BPLKKSIEFIJEJT-AUSIDOKSSA-N	405.655	4.978	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[C@H]1CCCOC1	794881879	FBTQTMPHRQZPDO-HEUOVEHFSA-N	412.829	4.943	50	20	HJGD	
C=C(CBr)COC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	795422721	BPEAUVAAVPGHRH-UHFFFAOYSA-N	413.271	4.820	50	20	HJGD	
CCCCCNC(=O)/C(C#N)=C/c1csc(-c2cccc(Br)c2)n1	797344201	FLYMNIAMEPUQPA-GXDHUFHOSA-N	404.333	4.786	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805382774	XQFPGMLCTVAVTP-UHFFFAOYSA-N	400.822	4.531	50	20	HJGD	
CC1(C)CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1[C@H]1CCCO1	809853820	NTXLAMZZUTZWNY-ZIAGYGMSSA-N	421.453	4.922	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccc(C)cc2)C2CC2)c1C	810173729	HOVKGNQPISXSKD-SSZZIIDFSA-N	405.542	4.795	50	20	HJGD	
Cc1cc(NC(=O)NNc2ccc(C#N)cc2C(F)(F)F)nn1C1CCCCC1	810299061	FRMKYSLEHKSSJX-UHFFFAOYSA-N	406.412	4.736	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCOC[C@@H](C2CCC2)C1	813758169	BGUPDSVPXALSOF-ZDUSSCGKSA-N	421.453	4.781	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1	817896267	RRRUKUDJZVLHGH-UHFFFAOYSA-N	406.511	4.610	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)cc1	915985696	VZPZTZHUHKQUJW-ZHZULCJRSA-N	400.482	4.822	50	20	HJGD	
N#C/C(=C/c1ccccc1I)C(=O)c1c[nH]c2cc(F)ccc12	915990799	QMTTXHNXBYTVNP-GHXNOFRVSA-N	416.193	4.701	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cnn(-c3ccc(Br)cc3)c2)c1C	917145409	RTTAUUBOAALQTR-LICLKQGHSA-N	421.298	4.797	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OCC(C)C)c2)c1C	917701006	PEEABYWHINECSN-NIQDBXHUSA-N	409.530	4.893	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nnc(-c3ccsc3)s2)c(C)n1CC(C)C	918180882	UENYGVUOJQDEES-CAOOACKPSA-N	411.556	4.887	50	20	HJGD	
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	918271364	XHHLLJXZBAJQRS-OHUAYANFSA-N	408.873	4.539	50	20	HJGD	
COC(=O)N(C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cc1	919893510	IEDWHUOPXZIJSS-XSFVSMFZSA-N	422.529	4.899	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1csc(-c2ccc(Cl)cc2)n1	932528991	UUVFHKBWIJPELW-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1nc(-c2ccc(F)cc2)n2c1CCCCC2	1319720328	UCXNMWWIEBLPPZ-UHFFFAOYSA-N	418.394	4.590	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(-n4cnnc4)c3)c2C)c1	1339474301	VAESHUIXBVULTN-CIAFOILYSA-N	422.492	4.529	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3ccccn3)cc2)CCC1	1786959392	LEMUHZRLRAJKJD-HXUWFJFHSA-N	413.949	4.556	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3onc4ccccc34)cc2)CCC1	1790907674	YCBPZHAVVPWJIR-KRWDZBQOSA-N	411.889	4.593	50	20	HJGD	
C[Si](C)(C)OCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc2)CCC1	1791970039	IXUBQVAWYOJNDL-IYARVYRRSA-N	416.638	4.798	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1	1824854391	BGSDEUODRZHYMR-WOJBJXKFSA-N	422.972	4.582	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3ccccn23)cc1	17475937	CFRMRVPOSUMLIQ-XDJHFCHBSA-N	421.460	4.505	50	20	HJGD	
CCc1cccc2c(C(=O)[C@H](NNC(=O)c3ccccc3F)c3ccccc3)c[nH]c12	25703112	PTWZKBOONMPLHC-HSZRJFAPSA-N	415.468	4.728	50	20	HJGD	
O=C(Cc1ccc(C(F)(F)F)cc1)NNc1ccc(Br)cc1Cl	729276653	JTJDSGYBRFMOSO-UHFFFAOYSA-N	407.617	4.807	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1C	730596310	QHIFDLLAFZQVKM-JKSUJKDBSA-N	408.354	4.732	50	20	HJGD	
COc1cccc(Nc2ccccc2C(=O)NNC(=S)Nc2cccc(C)c2C)c1	736667144	LMDYGZODAAHUFO-UHFFFAOYSA-N	420.538	4.687	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1	737804094	IOIZOFZDDGLWSO-AWEZNQCLSA-N	400.400	4.813	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cccc(C(F)(F)F)n2)cnn1-c1ccc(Cl)cc1	740132486	IITJNJFJPLBXIM-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	741960681	WLBWLRAFGUOWQR-CEMPLAKHSA-N	421.541	4.707	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccccc3C)nn2C)c1C	746409807	YZXLCTNASMWYER-MOSHPQCFSA-N	401.514	4.770	50	20	HJGD	
COc1ccc(NNC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)cc1	746882789	NNKBDFWCXFVRQK-HXUWFJFHSA-N	400.450	4.950	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccc(F)cc3Br)cs2)cc1	748075264	WOLRFTLMZZZVRM-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12	748088358	UJBNMCXVOPXLJA-UHFFFAOYSA-N	415.424	4.569	50	20	HJGD	
Cc1ccc2nc(COc3ccc(C(=O)NNc4cccc5cnccc45)cc3)cn2c1	748769099	BBIPRWJEGYCHKD-UHFFFAOYSA-N	423.476	4.527	50	20	HJGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	758416155	DEMKIFSVHACMHM-NCPSJORJSA-N	408.841	4.551	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cccc([N+](=O)[O-])c1Br	758923159	XCSPPAHNJUQNOX-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3cc4ccccc4o3)cc2)cc1	760533023	XENRDOPSDQEDEL-UHFFFAOYSA-N	414.417	4.503	50	20	HJGD	
CCC(CC)=NNC(=O)CSc1nnc(SCc2ccccc2Cl)s1	764762060	MMJAUCMVEGDIRS-UHFFFAOYSA-N	415.009	4.868	50	20	HJGD	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	768249889	CLMDBXTZQUSQRE-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
CC1(C)CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCS1	773381773	KWHMBXWMIQBWNR-UHFFFAOYSA-N	404.426	4.637	50	20	HJGD	
Cc1cccc(OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1Cl	774655440	VSOVYKZVDONRQJ-QGOAFFKASA-N	416.868	4.938	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)[C@H](Sc1ccc(F)cc1)c1ccccc1	774780481	YPEWIMVUQNKIMV-OAQYLSRUSA-N	404.470	4.746	50	20	HJGD	
O=C1C[C@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c2ccccc21	778058476	LUCRGTAXDLZBEV-AWEZNQCLSA-N	413.389	4.950	50	20	HJGD	
C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)NN=c3cc[nH]cc3)c2C1	781019387	ICOVJEMIPKGTGP-SCDSTIRESA-N	410.477	4.525	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc3ccccc3o2)c1C	781807338	MRIFFZKBJSVHMZ-SIQYNEQUSA-N	407.470	4.665	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cn(-c2ccc(Cl)c(Cl)c2)nn1	783695660	HRIVZCPGQXULFO-RIYZIHGNSA-N	412.280	4.737	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1Sc1ccccc1	785179108	QZDQVBMRAHSZCR-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	787395369	UWGPWQMLXRIOBD-COYFKBPASA-N	407.470	4.524	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21	787528904	FWMDCNOTHVZBKU-BAILOTOSSA-N	419.481	4.756	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cnn(Cc3ccccc3)c2Cl)cc1	789126715	HHKAUWBNQQDSJK-SFQUDFHCSA-N	406.873	4.529	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1-c1ccccc1	792441335	NFIVEYJJAGAHNA-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
C=C(CBr)COC(=O)c1oc2ccccc2c1CSc1ncccn1	795466119	NOUCULDLCRJLHS-UHFFFAOYSA-N	419.300	4.623	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1coc2ccccc12	801503826	DPJDBDMDMGRLCQ-UHFFFAOYSA-N	410.065	4.715	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CC(O)(c2ccccc2)C1	806184185	UXUZZCMXSVNLRI-OAHLLOKOSA-N	416.852	4.641	50	20	HJGD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	808959719	ZHYJXRHGGMVIHL-ZUZCIYMTSA-N	422.375	4.921	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1	814308229	HYZXMCGEIZVFLN-UHFFFAOYSA-N	419.428	4.905	50	20	HJGD	
COc1cc(NC(C)=O)ccc1C(C)=NNC(=O)Nc1ccc(Cl)cc1Cl	814995128	BURJOQKWZMPMJK-UHFFFAOYSA-N	409.273	4.506	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccc(F)c(F)c1	914516330	JLHMGENXBFITGU-BUDOKORBSA-N	413.468	4.522	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)c1cc(C)ccc1C	914524932	SDDMEMXOAZBVOI-XUKJQLKWSA-N	405.542	4.861	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1	914608104	KCZQSEPQGNZKTF-ATVHPVEESA-N	404.388	4.549	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccnc2)n1	915986195	ZHHDWXRSUYMNIB-WOJGMQOQSA-N	418.522	4.960	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C(=O)c2ccccc2)C(C)C)c1C	918818196	NMANJVILLGDTTH-ASZBORBYSA-N	422.525	4.670	50	20	HJGD	
Cc1cccc(OCc2nnc(/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)o2)c1	1322687548	HDNYOQKKOMLUAS-AFHVAHMMSA-N	418.497	4.619	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CCC2)cc1)[C@@H](F)Cl	1788580724	PPDLJVSMSWJYEV-IPMKNSEASA-N	418.871	4.598	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)/C(C)=C/c3cccs3)C2)CC1	1804805466	WRDZBXRUMDSBOU-POWXATIXSA-N	423.022	4.790	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3cc(C)cc(C)c3)CC2)C1	1806163675	VVFBWUOLDWGYAC-HXUWFJFHSA-N	404.982	4.556	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1	17398479	XPARFUOCBWBJCT-UHFFFAOYSA-N	409.458	4.914	50	20	HJGD	
CC(C)NC(=O)Nc1cccc(C(=O)NN(Cc2ccccc2)c2ccccc2)c1	32256809	WAAFTENREXARDF-UHFFFAOYSA-N	402.498	4.568	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Br)ccc2F)c1C	303450030	DTIIUFPGKQVBFW-DHDCSXOGSA-N	404.283	4.962	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cccnc1Oc1ccc(Br)cc1	733364248	CJWUNVKTNBIOGP-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
Cc1cc(NNC(=O)c2cc3c(OC(F)F)cccc3[nH]2)ccc1Br	734253018	IYNVJFYWTLZPRC-UHFFFAOYSA-N	410.218	4.597	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(CC(=O)OCC)c2)c1C	737739923	MRPHOROUDNQQBV-QNGOZBTKSA-N	407.514	4.556	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](C)c2ccccc2OC(C)C)c(Cl)c1	743537076	LNMVCCOWSYPDEN-AWEZNQCLSA-N	404.898	4.533	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c(Cl)c1	743548438	RYWOIYHNDQKEBD-AWEZNQCLSA-N	404.898	4.533	50	20	HJGD	
O=C(NNC(=O)N(Cc1ccco1)Cc1cccs1)c1cccc2ccccc12	743628057	MOZXJMGTPZSYAV-UHFFFAOYSA-N	405.479	4.551	50	20	HJGD	
O=C(NCC1(c2ccc(Cl)cc2)CCC1)NNC(=O)c1cccc2ccccc12	743628391	RMCHYVYDILCFNL-UHFFFAOYSA-N	407.901	4.559	50	20	HJGD	
CN(Cc1ccccc1-c1ccccc1)C(=O)NNC(=O)c1cccc2ccccc12	743629915	ILFOJLOUCBCPMF-UHFFFAOYSA-N	409.489	4.993	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c1C	743786487	KUPAVXBDJSQRNP-CCQQXMDGSA-N	415.541	4.875	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2occc2COc2ccccc2)cc1C(F)(F)F	746895495	IRXFXLIBSXCLQN-UHFFFAOYSA-N	401.344	4.506	50	20	HJGD	
CCC[C@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)c1ccc(Cl)c(Cl)c1	746972502	KGSZYIZNVNEBNB-SFHVURJKSA-N	423.344	4.545	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C	748562342	GJZJQDACGGFDLT-UHFFFAOYSA-N	409.490	4.945	50	20	HJGD	
C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NNc1ccc(OC(F)F)cc1	748656625	YVFASHYDRMPMAL-AWEZNQCLSA-N	413.424	4.589	50	20	HJGD	
CCOc1cc(CN(C)/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F	750036060	JVAANCVAFWWIOP-LICLKQGHSA-N	403.385	4.591	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)ccc21	751887961	IQGQWXUWANSSMY-SFQUDFHCSA-N	407.445	4.669	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@H](CC1CCCC1)c1ccccc1	752698151	ZSICAVDBBRKSCQ-JOCHJYFZSA-N	402.498	4.500	50	20	HJGD	
C[C@@H](CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)Oc1ccccc1	762662750	RWEWIEYLXUAARL-LBPRGKRZSA-N	424.391	4.866	50	20	HJGD	
CCS[C@@H](C)c1noc(COC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)n1	767262176	HROZYMBXGOGFEN-RSFAQHHSSA-N	416.547	4.608	50	20	HJGD	
O=C(CCC(=O)NNc1c(Cl)cc(F)cc1Cl)CCC(=O)c1cccs1	767405962	YFSRHWUZXDCNQH-UHFFFAOYSA-N	417.289	4.650	50	20	HJGD	
O=C(NCCc1ccccc1F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772822453	HEGKIJITGGREQA-UHFFFAOYSA-N	412.355	4.781	50	20	HJGD	
CCc1cc(NNC(=O)c2ccc(C(F)(F)F)cc2Cl)nc(-c2ccccn2)n1	775604910	SXNSSRUMRPBEDD-UHFFFAOYSA-N	421.810	4.530	50	20	HJGD	
COC(=O)c1ccccc1OS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777843022	MDBNOZHBPDEOGR-UHFFFAOYSA-N	418.361	4.898	50	20	HJGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1	785160886	ITDILBJDKXHRBA-UHFFFAOYSA-N	423.687	4.585	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1O	787143805	CNIFNCFDQGWLLE-ACLQVGRQSA-N	405.281	4.882	50	20	HJGD	
COCCOc1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1	787146536	ZETGCUUFVGFKQH-DWKHYPNZSA-N	419.308	4.803	50	20	HJGD	
COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCSSC)CCO2	790879851	UKWIJBRZKXPSIS-LJQANCHMSA-N	418.584	4.742	50	20	HJGD	
C=C(CBr)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1	791439361	CENDLGGPQLYXLS-LJQANCHMSA-N	408.361	4.664	50	20	HJGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	798367398	CZUHYZNJNMKZHI-QLJPJBMISA-N	403.857	4.698	50	20	HJGD	
O=C(CCc1cccc(F)c1F)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804210509	ZZKSLDSKVCAYJI-UHFFFAOYSA-N	422.357	4.517	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	812764646	AMWYTLCNRSSIFA-MUIAGPEESA-N	420.557	4.766	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2Cl)c1C	914477879	DOZFJHJSZVRRBY-UHPUNMKFSA-N	420.340	4.843	50	20	HJGD	
CCOc1ccc(N(CC)C(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	914517890	BXWXJOPXOSKKIR-HVUZKSCUSA-N	421.541	4.643	50	20	HJGD	
CC(C)Cc1ccc([C@@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C(C)C)cc1	915933976	SKTNVLCOKCCUIJ-QHCPKHFHSA-N	418.541	4.775	50	20	HJGD	
COCCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	916060823	OQCORHVMNKHWRV-LDADJPATSA-N	419.447	4.563	50	20	HJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1OC	916129229	BWCCOQGZHMRRKA-BOPFTXTBSA-N	420.494	4.548	50	20	HJGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	917142522	GMRJJFFAQSGOKO-WZUFQYTHSA-N	416.871	4.979	50	20	HJGD	
Cc1cc(OC(C)C)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	917781934	SEIMIPXBGUXNLI-FJWZAKCXSA-N	421.541	4.925	50	20	HJGD	
CCN(C[C@H]1CCOC1)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	920749880	UIAPAHCXMXCZQI-BDBXIWDTSA-N	411.933	4.540	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc[nH]c4nccc3-4)CCC2)cc1	1786444811	VEMGLNJKOOBDPR-IBGZPJMESA-N	424.932	4.670	50	20	HJGD	
Cc1ccc(SCC(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)cc1	1788584290	ARXZJCFXNYIXKR-LJQANCHMSA-N	420.937	4.756	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@H](CC)c3ccccc3)CC2)C1	1806156480	XYXPMANNETWYND-NHCUHLMSSA-N	419.009	4.819	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC)cc2)n[nH]1	1820605002	CUYZIWAIPFIAMP-IEBWSBKVSA-N	416.953	4.686	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC)cc2)CC1	1824615250	CZEWJPHDXGOMNG-VXKWHMMOSA-N	419.009	4.890	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1oc2ccccc2c1CSC	16782613	MQCDYSQKJIXSJE-UHFFFAOYSA-N	413.568	4.798	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](c2ccccc2)C(C)C)c1C	106233071	WRFBQCXNKKWWGA-CSAOALJCSA-N	407.558	4.775	50	20	HJGD	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)NNC(=O)NC3CCCCC3)o2)cc1	218054501	PYXFMBZWMHWZMM-UHFFFAOYSA-N	418.497	4.594	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c1	727500244	SIWRORVOADOGRS-UHFFFAOYSA-N	421.909	4.745	50	20	HJGD	
CCCOc1ccc(C=NNC(=O)c2cc(F)ccc2Br)cc1OCC	728436331	PXFKEIQMURLSOU-UHFFFAOYSA-N	423.282	4.540	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)C(=O)c3ccc(C)s3)cs2)cc1	729849616	LCPJQDIUROPFJJ-GDNBJRDFSA-N	423.519	4.996	50	20	HJGD	
O=C(NNC(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1)c1ccccc1	730156692	JGSLHQLULDTKOT-IBGZPJMESA-N	415.276	4.575	50	20	HJGD	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(CCCCl)cc1	730997347	FHTVEIYPYUTJDQ-HNNXBMFYSA-N	408.976	4.911	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1ncc(-c2cccc(Br)c2)[nH]1)C1CCCCC1	732715904	BYIYEEUNSFMOBD-RVDMUPIBSA-N	413.319	4.537	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3nccc4sccc34)c2C(F)(F)F)cc1	734248516	VMBHLAFDOJJJLC-UHFFFAOYSA-N	417.416	4.566	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)[C@@H]1C[C@@H]1c1c(F)cccc1F	734865689	YBKQKQIMONCMFG-VHSXEESVSA-N	401.638	4.628	50	20	HJGD	
Cc1cc(NS(=O)(=O)c2ccc(CCCCl)cc2)ccc1OC1CCOCC1	737758780	BEKMVMHYYYAAHD-UHFFFAOYSA-N	423.962	4.525	50	20	HJGD	
COc1cccc(Nc2ccccc2C(=O)NNc2cccc(C(F)(F)F)n2)c1	740128040	JBYYNRVNIQFALX-UHFFFAOYSA-N	402.376	4.610	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1c(Cl)cccc1Cl	741922874	KLTGLANLVXUMBR-NWDGAFQWSA-N	418.107	4.865	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccn3)c2C)cc1	743722592	SIKUTSUXZMNHNH-IGCAKMCNSA-N	414.509	4.672	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1	745307517	MVJADQNKWAVWCU-QFIPXVFZSA-N	418.497	4.849	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1cc(C)ccc1C)c1ccc(C(F)(F)F)cc1	748360357	TZKLRKACOVCRSU-KAMYIIQDSA-N	407.461	4.743	50	20	HJGD	
Cc1c(NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cccc1[N+](=O)[O-]	748670656	VNWHKYIFNTWTLT-UHFFFAOYSA-N	413.865	4.623	50	20	HJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1	750799480	NZJSYNUISJQPQT-WYMPLXKRSA-N	403.501	4.593	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC#N)c(C)n1-c1cccc(Cl)c1Cl	751392396	IFYWGPSQLRVXOS-SEJMYLSOSA-N	401.297	4.726	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1cnc(-c2cccs2)s1	751520291	GXAABKHCKOERGD-UHFFFAOYSA-N	410.549	4.688	50	20	HJGD	
N#Cc1ccc(NNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1Cl	753305931	BRIYARRCZORVBX-UHFFFAOYSA-N	409.323	4.736	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1	754475352	CRHDGFYJYCNYNT-UHFFFAOYSA-N	414.252	4.591	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)Nc1ccccc1CCC(F)(F)F	757659080	VVGQMPGXJRYDCQ-UHFFFAOYSA-N	415.415	4.730	50	20	HJGD	
CC(C)OC1CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762655053	LCWNHUGPWHWSLY-UHFFFAOYSA-N	416.412	4.699	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)noc2-c2ccccc2)c1C	770011312	CRHVMZMYJKEKER-SVZNOHIVSA-N	418.497	4.821	50	20	HJGD	
Cc1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1C(=O)N(C)C	770056825	JKJYYPZIQVAMLU-UHFFFAOYSA-N	415.708	4.806	50	20	HJGD	
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)NNc1ncc(Cl)cc1Cl	775564384	WHEGIUVFZNRLSS-UHFFFAOYSA-N	422.316	4.518	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2OC(C)C)c1C	779458518	IPGKLHVSGQGNRU-WSLMLHKMSA-N	413.493	4.784	50	20	HJGD	
O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	782115942	XPUWYCACRZAQED-UHFFFAOYSA-N	405.352	4.501	50	20	HJGD	
Cc1ccc(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)s1	783465559	POURBYZACHZBJL-UHFFFAOYSA-N	407.407	4.833	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2ccc(F)cc2OC)cc1OCC	788192694	IVVNVJUGHXQBEI-UHFFFAOYSA-N	410.873	4.822	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)c(C)n1CC(C)C	791021616	YRWWLACKZJVTPQ-SFDPSKHNSA-N	412.452	4.569	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c(C)n1C1CCCCC1	792534453	PGGKXCRLJMMTEQ-BAOGCXAUSA-N	421.545	4.773	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)ccc1Cl	800593401	GKTXLXKKINACCY-UHFFFAOYSA-N	421.778	4.968	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=S)Nc1ccccc1C(C)C	805176663	YOCWAZDPAGYOSO-UHFFFAOYSA-N	423.538	4.628	50	20	HJGD	
N#CCC[C@H](NC(=O)NNc1ccc(Br)cc1Cl)c1ccccc1	812177437	GPXYNSNLKCXLPD-HNNXBMFYSA-N	407.699	4.774	50	20	HJGD	
CCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	914504568	JXDYICIZQCEFED-PQBKBUHISA-N	405.542	4.548	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c1C	916057850	YMEITIACHJCBDY-NDENLUEZSA-N	404.514	4.718	50	20	HJGD	
COc1cccc(Oc2ccc(CNC(=O)NNc3c(C)cc(C)cc3C)cn2)c1	916403322	SMZNXLAHSOXEFA-UHFFFAOYSA-N	406.486	4.634	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cs1	917561348	CAKHNOBCLALPPB-RGRWXVMTSA-N	422.554	4.738	50	20	HJGD	
Cc1nccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)n1	917811230	NRTLBLKRAKIGMN-HYARGMPZSA-N	421.504	4.569	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(OCC(F)(F)F)cc1	921256898	DJWKZXCGTJJILC-UHFFFAOYSA-N	419.428	4.824	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccsc3)CCC2)cc1	1790485852	ILFWWSXAAVPKCH-GOSISDBHSA-N	404.963	4.832	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccco3)cc2)CCC1	1791913132	WRIXIHWHGKJYPU-HNAYVOBHSA-N	402.922	4.610	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccs2)n[nH]1	1817494904	OMMOYZIOUYXONX-PRHORXKJSA-N	420.966	4.584	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824010294	LDBYZRNMVLFCSO-FQEVSTJZSA-N	409.014	4.640	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1	1827982440	RJEJJRVYNBAHEV-HZPDHXFCSA-N	415.361	4.574	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1	211425856	ZCTNRJIIMBZNAO-MOSHPQCFSA-N	414.417	4.972	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(OCC(F)(F)F)cc1	726707881	GTUFLVSTBHWYOH-NSHDSACASA-N	419.350	4.616	50	20	HJGD	
O=C(NN=Cc1c(OC(F)F)ccc2ccccc12)c1cccc(OC(F)F)c1	728433845	PTDYUUBVVROELJ-UHFFFAOYSA-N	406.335	4.807	50	20	HJGD	
CC[C@H](CC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1	728970843	ZQDTZUIPYUAUDF-GOSISDBHSA-N	423.538	4.514	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1csc(Cc2ccc(F)cc2)n1	729514505	GSZLATIHWOABKT-UHFFFAOYSA-N	412.877	4.832	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)c3ccc(F)cc3)c2)cc1	730589196	KKVJZWORKHNZQU-UYRXBGFRSA-N	400.409	4.876	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Oc2ccncc2)c1	732996583	GBVSGBSSIWRDDQ-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
O=C(CCCc1cccs1)Nc1cccc(C(=O)NNc2ccc(F)cc2F)c1	733361906	HNDNBKRDKMASBB-UHFFFAOYSA-N	415.465	4.745	50	20	HJGD	
Cc1cc(NNC(=O)c2cnn(-c3ccccc3)c2C(C)C)ccc1Br	734254011	NENBKKFLEZJXBQ-UHFFFAOYSA-N	413.319	4.824	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3c(cnn3C(C)C)c2)c1C	735293133	QLPRVRXIXCJYJE-GTNUZRKBSA-N	419.529	4.789	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccccc1C(=O)c1ccc(Cl)cc1	740141406	BIYIWFVYNZKONC-UHFFFAOYSA-N	419.790	4.742	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(-c2ccccc2F)o1	741978374	FQZUSPQQTXAHHP-UHFFFAOYSA-N	411.177	4.883	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)NCC)c2)c1C	742417111	IOSOWOLVWWBBMQ-UYRXBGFRSA-N	407.518	4.592	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCc2nc3ccccc3s2)c(C)n1CC(C)C	744388023	ICZFPQPCLBOGJK-UNOMPAQXSA-N	406.555	4.637	50	20	HJGD	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NNC(=O)CCCc1ccccc1	747500546	KMXXIHIIWOWGEK-IAGOWNOFSA-N	401.938	4.528	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)/C(=C\c1ccco1)NC(=O)c1ccccc1	748510485	HOCDLXQOIFURCQ-LDADJPATSA-N	416.264	4.501	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	748584349	ODBHVLUSGLHFFS-XYOKQWHBSA-N	406.225	4.846	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1	748669745	KZFBENDXFRUWKI-UHFFFAOYSA-N	422.959	4.694	50	20	HJGD	
Cc1ccccc1[C@@H]1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)C1	750768239	DZEKSWLZBYTMCY-MMSBWNSQSA-N	417.553	4.515	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)Nc1ccc(SC(F)F)cc1	755323581	HPCJRUYMJHLXBX-UHFFFAOYSA-N	417.890	4.600	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2nnc(-c3ccccc3)s2)c1C	760016182	KPPSHJURPLCIQI-DEDYPNTBSA-N	419.554	4.647	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2cccc(C=NNC(=O)c3c[nH]c4ccccc34)c21	761792743	GEAOWLNMPBNMNK-UHFFFAOYSA-N	418.497	4.620	50	20	HJGD	
Cc1nn(C)c(N2CCOCC2)c1CNc1cccc(S(F)(F)(F)(F)F)c1	762568281	LDHSJJYEJYJILC-UHFFFAOYSA-N	412.428	4.835	50	20	HJGD	
N#C/C(=C\c1cc(O)ccc1Br)C(=O)Nc1ccccc1C(F)(F)F	769774189	RWXGWFDNOCUCET-YRNVUSSQSA-N	411.177	4.719	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1	781043040	ZGACPVSVDZSTHH-INIZCTEOSA-N	412.509	4.510	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=CC3(CC)CCOCC3)cc2)cc1	781116412	DFRXMVAWWOZZJM-UHFFFAOYSA-N	410.514	4.587	50	20	HJGD	
N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	782894337	QWYKRVYFHPAQPW-UHFFFAOYSA-N	423.363	4.818	50	20	HJGD	
O=C(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783461473	RCFBWQAQAVYCLZ-UHFFFAOYSA-N	419.368	4.531	50	20	HJGD	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NNc2ccc(F)cc2)cc1	784784865	RZVFDZILATXXMS-HNNXBMFYSA-N	409.486	4.761	50	20	HJGD	
COC(=O)Nc1cccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1C	798031619	JQECOCKGTLXSHE-UHFFFAOYSA-N	404.470	4.917	50	20	HJGD	
Cc1nc(CCCC(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cs1	802071174	SUHPWTRPNSCRMK-UHFFFAOYSA-N	421.737	4.587	50	20	HJGD	
CCCc1cnc(NC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)s1	806395413	POTLFPOMRHKSQI-UHFFFAOYSA-N	422.436	4.720	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c(C)ccc(Br)c1C	815856090	VPPGSQLDPCXUSC-UHFFFAOYSA-N	412.125	4.894	50	20	HJGD	
COc1ccc(NNC(=O)c2cccc(OCc3cscn3)c2)c(C(F)(F)F)c1	816702596	UJTNVGFDUUBBDW-UHFFFAOYSA-N	423.416	4.506	50	20	HJGD	
CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cc1	878640136	FSAXYYQCACROBC-OAHLLOKOSA-N	423.865	4.562	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(OC)c(OCC(C)C)c2)c1C	915850578	FSAIGPARGIGOPX-ZDLGFXPLSA-N	424.497	4.642	50	20	HJGD	
Cc1ccc(NNC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)cc1Cl	1318295238	KJABUVVLNGOEQF-UHFFFAOYSA-N	410.692	4.601	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1	1790484407	OAKHZHVFCZZXOP-OAQYLSRUSA-N	423.944	4.642	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/Sc1ccc(C)cc1)C2	1793682945	PDVGSXJEVNVASG-PKNDGLJWSA-N	421.006	4.647	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)c1	23739945	FVUBSQKPYFAICS-LPYMAVHISA-N	420.472	4.792	50	20	HJGD	
Cc1ccc(N2CCC(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)CC2)nc1	195619606	GNSYIUWKLHJRAO-UHFFFAOYSA-N	413.736	4.710	50	20	HJGD	
Cc1ccc(N2C(=O)CC[C@H](C(=O)NNc3ccc(F)cc3)[C@@H]2c2cccs2)cc1	301239293	IUWGIWBOXCVQRG-SIKLNZKXSA-N	423.513	4.823	50	20	HJGD	
CN(Cc1ccccc1-c1ccccc1)C(=O)NNC(=O)c1ccc2ccccc2c1	725861229	HDAYFWYJXWMWNB-UHFFFAOYSA-N	409.489	4.993	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1nc(-c2ccccc2)cs1	727975394	DQDORHLWBAQKEJ-YBEGLDIGSA-N	405.479	4.722	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccnc(OCc2ccccc2)c1	729514609	CREHQXOMIVAMAC-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
CC(C)(C)OC(=O)N[C@H](CCC(=O)NNc1ccc(F)c(F)c1F)c1ccccc1	729532360	KHMLVWAYNUPMHK-OAHLLOKOSA-N	423.435	4.593	50	20	HJGD	
COc1ccc2ccccc2c1C=NNC(=O)Cc1nc(-c2ccccc2)cs1	730568323	IFURGWMGHLAEDN-UHFFFAOYSA-N	401.491	4.665	50	20	HJGD	
COc1ccccc1C(=O)NN=Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl	731487774	BVDNNJHIJFSMQM-UHFFFAOYSA-N	410.905	4.731	50	20	HJGD	
C[C@@H](Sc1ncccc1Br)C(=O)/C(C#N)=C1\Nc2ccccc2S1	735981393	JASWHUVMPPVKFB-ILJRITOVSA-N	418.341	4.847	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCO[C@H](C(F)(F)F)C1	740434364	GQTUPCRTSSXNIC-QWRGUYRKSA-N	422.778	4.701	50	20	HJGD	
O=C(CCOc1ccc(Cl)cc1Br)NNc1cccc(Cl)c1	742275619	FAEQJHDPPJWDSF-UHFFFAOYSA-N	404.091	4.668	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1	743059298	WLBNTTSJZAVLTL-HPUFKIGUSA-N	410.901	4.682	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2cccnc2)c(C)n1-c1ccc(F)cc1	743723164	NACQSOYOCCHMGH-RSZPVBOMSA-N	402.473	4.755	50	20	HJGD	
CC[C@H](C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	743960146	AEJAGXAYPCNFMS-LYOVBCGYSA-N	410.889	4.785	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1nc(C)cs1	745806392	GENVRKMURMEFKE-GOSISDBHSA-N	409.515	4.606	50	20	HJGD	
CC(C)Oc1cc(Br)cc(C(=O)NNc2nccc3sccc23)c1	746689999	VSYNWRANWRXBNY-UHFFFAOYSA-N	406.305	4.603	50	20	HJGD	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NNc1ccc(Cl)cc1Cl	748019017	UWYQZWXAWSVCJV-UHFFFAOYSA-N	410.282	4.966	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)s1	748041616	RWAJKGPNAIEFRI-UHFFFAOYSA-N	416.510	4.678	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc3ccccc3c2)ccc1OCC(F)(F)F	750933923	CQFKGBVSWHYYQB-UHFFFAOYSA-N	402.372	4.553	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3cc(Cl)ccc3Cl)cc(C3CC3)nc21	752810544	SBBAVKSJCQANRJ-UHFFFAOYSA-N	404.301	4.953	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc2ccccc2c1	753278932	DSVMBWQRJZVIRF-QGZVFWFLSA-N	414.461	4.577	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C	754701085	KLKYKQROMSLSFF-FMYMSCKOSA-N	423.532	4.940	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	759321713	MJBOEKVROWEMCP-UHFFFAOYSA-N	411.820	4.909	50	20	HJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3ccc(OC(F)(F)F)cc3)c(C)c2c1	761588546	VHMIGIXMFDDFFF-UHFFFAOYSA-N	420.387	4.918	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)C[C@H](O)c2ccco2)c(C)n1C1CCCCC1	761861902	QXFKGADGTNVCFB-YANULHFLSA-N	409.530	4.739	50	20	HJGD	
Cc1ccccc1CCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762641235	PGRQPQHGCWOMBZ-UHFFFAOYSA-N	408.392	4.950	50	20	HJGD	
C[C@H]1[C@@H](C)SCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762658558	MXWJYUYRIJUHKC-VHSXEESVSA-N	404.426	4.635	50	20	HJGD	
COc1cc(N[C@@H]2CCCN(C(=O)CCCC[C@H]3CCSS3)C2)cc(OC)c1	769243813	YSWWERKDMYUNDL-UZLBHIALSA-N	424.632	4.821	50	20	HJGD	
Cc1cccc(C(C)C)c1NC(=O)COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	769976285	MANGVJQRTYQXOO-YYFZDKIDSA-N	408.336	4.554	50	20	HJGD	
Cc1nc([C@@H](NC(=O)CCCC[C@H]2CCSS2)c2ccc(Cl)cc2)no1	771285842	ZMRJAJCXDYSKCT-RDJZCZTQSA-N	411.980	4.951	50	20	HJGD	
COCCN(C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CCCC1	773656725	AUJZOJKONGWSOI-UHFFFAOYSA-N	416.412	4.700	50	20	HJGD	
Cn1c(/C(Cl)=C/c2cnn(CCCl)c2)nc2ccc(Br)cc21	776723747	KOQCSYLKTFQKGR-SDQBBNPISA-N	400.107	4.508	50	20	HJGD	
C[C@@H](Cc1ccncc1)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777988930	PPXYIVKSOSRJNC-NSHDSACASA-N	402.410	4.649	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNc3cc(Cl)ccn3)cc12	778453280	NMUFSBCBDMONNX-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNc2c(Cl)cc(Br)cc2Cl)C1(C)C	780811182	SCIPXOHBBUKHGK-PSASIEDQSA-N	422.150	4.840	50	20	HJGD	
COc1ccc(Sc2ccc(NC(=O)C(=O)NNc3cc(C)ccc3C)cc2)cc1	783361788	GWDUJZMFPVMWLM-UHFFFAOYSA-N	421.522	4.545	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCc3ccc(F)cc32)c(C)n1C[C@@H]1CCCO1	794055498	IUNCSCZJIUDASH-FCXMQLJXSA-N	421.516	4.524	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCC(C(F)F)CC3)cc12	799466254	VQXJLVCKUWLAML-UHFFFAOYSA-N	402.470	4.937	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(Cl)cc3cccnc23)c1C	914882126	HSARYCKHVQNBFY-GRSHGNNSSA-N	423.900	4.603	50	20	HJGD	
N#C/C(=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)Nc1ccc(F)cc1	915982706	YHICINIUOLXSGU-SDNWHVSQSA-N	400.335	4.576	50	20	HJGD	
CCOc1ccc(C(=O)NN=Cc2ccc(-c3nc4ccccc4s3)o2)cc1OC	916347771	LCHBMQGNIVACAI-UHFFFAOYSA-N	421.478	4.728	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3)c(F)c2)c1C	917783790	QDBASEZSIVEVTR-RONKMWSCSA-N	424.520	4.597	50	20	HJGD	
N#C/C(=C\c1csc(COc2ccc(Cl)cc2)n1)c1nc(N)c2ccccc2n1	1317960846	GZEMFAYHPXLRLL-UKTHLTGXSA-N	419.897	4.965	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccoc3)CCC2)cc1	1786442460	IUYDKFKTWHYNGU-GSXXRBPTSA-N	400.906	4.834	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C)CCC2)cc1	1790485472	BTVSHBQUNVIIBJ-IBGZPJMESA-N	414.933	4.525	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCCCn3cccc3)CCC2)cc1	1790486421	CSDZURAZTUQHFD-HXUWFJFHSA-N	415.965	4.810	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)C(=O)CC4)CCC2)cc1	1790489553	FITIMLSCFPTGQM-HXUWFJFHSA-N	424.928	4.581	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1	1815324747	WTVQRTFBNRNVGC-IBQBPIARSA-N	420.985	4.780	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	1824014974	HXCICRKPDXCOCZ-GFOJFJKKSA-N	423.041	4.697	50	20	HJGD	
CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)Cl)CC1)c1ccccc1	1824240369	IYNSVSRHESZUKE-QHAWAJNXSA-N	422.972	4.580	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)c1C	5474323	FIEIZNDBZXYDPM-QAEAHILHSA-N	410.499	4.838	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccncc1)C(=O)Nc1ccc(F)cc1	7906822	QJDSZUYSALQTSA-NBVRZTHBSA-N	409.424	4.619	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cc(OC)c(O)cc2Br)cc1	72042052	IIMXMAAEHGOEFW-SXGWCWSVSA-N	400.272	4.906	50	20	HJGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	211199727	FPDDQRLDSIUYLP-HMAPJEAMSA-N	419.502	4.754	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(OCC#N)cc3)c2C)c1	727675157	VQPNHNNAHGLSEV-HZHRSRAPSA-N	424.504	4.528	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)Cc1c[nH]c2cc(Cl)ccc12	727856457	BREGXLIZCRHORA-UHFFFAOYSA-N	400.935	4.505	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c2ccccc2n1	729616405	VPQSNFVZFWSJEL-NRFANRHFSA-N	422.916	4.682	50	20	HJGD	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)NNC(=S)Nc1cccc(Cl)c1	729864093	KGQGVUYPFAGRDE-NYHXXUGCSA-N	403.935	4.548	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCN(C2CCCC2)CC1	730664911	QBXXCXNFLNUMBM-MRXNPFEDSA-N	421.916	4.998	50	20	HJGD	
CC(C)(C)n1cc(C=NNC(=O)c2ccc(C#N)cc2)c(-c2ccccc2Cl)n1	731153181	DSLUPIGISLFQBJ-UHFFFAOYSA-N	405.889	4.594	50	20	HJGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1	731904978	SXDYRANBTFQGPB-INIZCTEOSA-N	423.538	4.683	50	20	HJGD	
Cc1ccccc1[C@H](O)CNC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	732832352	OJEMCJALARMWAD-JRXNCPAPSA-N	405.542	4.675	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Br)c(C)c2)ccc1OC1CCCC1	734253326	SMUCHYITMWQJRU-UHFFFAOYSA-N	419.319	4.844	50	20	HJGD	
Cc1ccc(-c2ncc(C=NNC(=O)Cc3nc(-c4ccccc4)cs3)s2)cc1	734298831	NPDVDJRHZDSBET-UHFFFAOYSA-N	418.547	4.935	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCC(C)(C)c2cccc(Cl)c2)c(Cl)c1	743571425	ZLMSOZJDAFXQQE-UHFFFAOYSA-N	409.317	4.615	50	20	HJGD	
CC(=O)N1CCCc2cc(NC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)ccc21	749229039	BUOIPYVRGJTYAM-WSDLNYQXSA-N	418.541	4.606	50	20	HJGD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)NNc3ccc(C#N)c(Cl)c3)c12	753306564	PWQIADFHHDGGRZ-UHFFFAOYSA-N	421.844	4.717	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	755612134	CMTRHPFPCKWKFO-AWEZNQCLSA-N	409.861	4.639	50	20	HJGD	
CN(Cc1cccc(NC(=O)[C@@H](Br)C(C)(C)C)c1)Cc1cscn1	768085487	JJMCEZWLWMFEAX-MRXNPFEDSA-N	410.381	4.523	50	20	HJGD	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)NNc2c(C)cccc2F)cc1	771713874	WFNBHXTUCWQNAZ-UHFFFAOYSA-N	423.513	4.930	50	20	HJGD	
COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	773163827	ZJCZBAYAAMJBLY-MLPAPPSSSA-N	409.335	4.660	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NNc1ccc2ccccc2n1	775567762	GRAJSQQQISBGLH-KRWDZBQOSA-N	417.513	4.706	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1NC(=O)NC(C)(C)C	779201838	PHGHVNWFGIMAEJ-UHFFFAOYSA-N	424.423	4.571	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1ccc(OCC(F)(F)F)cc1	779388374	CCXNQIMPBWRJNY-UHFFFAOYSA-N	409.286	4.675	50	20	HJGD	
COc1cccc(NNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)n1	780770170	IQKDRCYHWNWLFR-UHFFFAOYSA-N	402.479	4.638	50	20	HJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NNc2ccc(F)cc2)cc1	784784867	RZVFDZILATXXMS-OAHLLOKOSA-N	409.486	4.761	50	20	HJGD	
O=S(=O)(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cnn(CC(F)F)c1	790068124	MJACARMWPFVDSH-UHFFFAOYSA-N	413.340	4.606	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCCCC3)cc2)c1C	790233697	BWEYVLCHLPLIFR-OQKWZONESA-N	420.557	4.677	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc2oc3ccccc3c2c1	792433911	FPLFHNYNRYDDGA-UHFFFAOYSA-N	414.248	4.975	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1ncc(Cl)cc1Cl	793849990	BXPKUFKBYGNXRM-UHFFFAOYSA-N	411.289	4.801	50	20	HJGD	
COc1cc(NNC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)ccc1Cl	793981452	NFHYPZJXEOGHAU-UHFFFAOYSA-N	405.882	4.761	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	797267668	PSESIPZNXAWKES-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
CC(C)(C)Nc1ccccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	799260814	ZNMCGPQVGYHEQI-UHFFFAOYSA-N	402.498	4.705	50	20	HJGD	
O=C1/C(=C\c2cccc(CCl)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1	799890798	YRZDXHXZXRRGAY-OQLLNIDSSA-N	412.820	4.586	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cnc3c(F)cccc3c2)c1C	806086724	USMXKFSNPDQVNU-PPAWOMOGSA-N	421.472	4.650	50	20	HJGD	
CCOC1(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCC1	815834564	OECXERHFLNLKDL-UHFFFAOYSA-N	416.412	4.748	50	20	HJGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2c(Cl)ccc(Cl)c2Cl)cc1	818249566	IBLNKLDHSRHKRE-LLVKDONJSA-N	415.704	4.963	50	20	HJGD	
Cc1ccc(NC(=O)NC(=O)[C@H](C)OC(=O)CCCC[C@H]2CCSS2)c(C)c1	861788046	YVEJUNPVGVFJGN-HOTGVXAUSA-N	424.588	4.597	50	20	HJGD	
COc1ccc(CN(C)C)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	914845382	ODIYIWYHJRCCGN-HMAPJEAMSA-N	422.573	4.767	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)c1C	916957103	AXHDJNZJFVDYLS-RGEXLXHISA-N	417.465	4.873	50	20	HJGD	
CCc1ccc(C(=O)NN=Cc2sc(Nc3ccc(OC)cc3)nc2Cl)cc1	917030801	LTBVPRKWXILZBT-UHFFFAOYSA-N	414.918	4.875	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCc3c(Cl)cccc32)c1C	919873354	OIGGGTZAOJGVTA-WBMWLTQASA-N	411.933	4.676	50	20	HJGD	
COc1ccc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)cc1-c1ccccc1	1318545957	SWVKFENZROIVSJ-UHFFFAOYSA-N	420.856	4.823	50	20	HJGD	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	1318944994	CGLINLNEQJPQME-DHDCSXOGSA-N	408.841	4.553	50	20	HJGD	
COCc1nnc(/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)o1	1348908244	CJJKWPMERYBZFB-OVCLIPMQSA-N	402.376	4.707	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCBr)cc2)CCC1	1787675026	ODJVEDMVHNXHDT-UHFFFAOYSA-N	421.379	4.898	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2C)CC1	1823922423	BBAXICHCPKLZAU-CTNGQTDRSA-N	422.972	4.775	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccccc2)CC1	1824618444	VXEVYULVCMVKFD-COPCDDAFSA-N	419.009	4.817	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccccc2)s1)C(=O)Nc1ccc(N2CCOCC2)cc1	7065140	VGULMOPIQYLBCA-KNTRCKAVSA-N	415.518	4.797	50	20	HJGD	
CC(C)[C@H]1COC(c2ccc3cccc(P(c4ccccc4)c4ccccc4)c3n2)=N1	139429150	ANBQSCSUMUMSNZ-XMMPIXPASA-N	424.484	4.794	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1	727716959	NFBGTZGJDFQPOV-HSZRJFAPSA-N	404.535	4.690	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCO[C@@H](c3ccccc3)C2)c(C)n1CC(C)C	729834038	AGENPYLQSZAXKK-AKKXDVJXSA-N	405.542	4.658	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1	732132026	APLVKBHFVSMTNA-QHCPKHFHSA-N	414.505	4.658	50	20	HJGD	
Cn1c(/C(C#N)=C\c2ncc(-c3ccc(Br)cc3)[nH]2)nc2ccccc21	732713636	JAJBJVOBNNGXHI-UVTDQMKNSA-N	404.271	4.790	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C#N)C(=O)N(C)c2ccccc2)cs1	732716731	XOTDMMDMBPJHGB-FOWTUZBSSA-N	420.469	4.537	50	20	HJGD	
CSc1ccc(N(C)C(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	732939103	KLMCZJIXOMVKMS-FNGUVFISSA-N	409.555	4.576	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cc(-c2ccc(Cl)s2)on1	732975164	BYDABKQDRWEAEW-UHFFFAOYSA-N	422.253	4.517	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1cc2ccccc2n1Cc1ccccc1F	733812329	VGJZGZWMZKBXKC-UHFFFAOYSA-N	411.440	4.529	50	20	HJGD	
O=C(Cc1ccccc1C(F)(F)F)Oc1ccc([N+](=O)[O-])cc1Br	739302670	SZLLYUMNNOBLAN-UHFFFAOYSA-N	404.138	4.524	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c1C	741609225	OLXDMNQMZZNURX-ZHZULCJRSA-N	415.497	4.951	50	20	HJGD	
O=C(NNC(=S)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(-c2ccccc2)cc1	741855932	DXMWAMNBQUKCBT-UHFFFAOYSA-N	420.582	4.823	50	20	HJGD	
O=C(CCCOc1ccccc1Cl)NNc1c(F)cc(F)cc1Br	741979957	OMONNRXQXLPUFU-UHFFFAOYSA-N	419.653	4.683	50	20	HJGD	
CCSCc1ccc(C(=O)NNc2c(F)cc(F)cc2Br)cc1	741981485	LQQWDKNMRWWJCE-UHFFFAOYSA-N	401.276	4.737	50	20	HJGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1C	742006266	QWLAJVUHDMZXKG-UHFFFAOYSA-N	419.106	4.660	50	20	HJGD	
O=C(Cc1noc2ccccc12)NNc1c(Cl)cc(Br)cc1Cl	742006624	SUIWCGAHOZNXKF-UHFFFAOYSA-N	415.074	4.583	50	20	HJGD	
CC(C)(C)C(=O)NNC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34	746130322	YCQKKOQIVBHNKH-UHFFFAOYSA-N	400.478	4.740	50	20	HJGD	
O=C(CCc1cc(Cl)ccc1Br)NNc1ccc(OC(F)F)cc1	748655995	LIXPHEXNYSEKGB-UHFFFAOYSA-N	419.653	4.780	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)o2)c(C)c1	748716369	BHKOJPFFRKFMSS-UHFFFAOYSA-N	415.833	4.794	50	20	HJGD	
CC(=O)N1CCCc2cc(NC(=O)NN(Cc3ccccc3)c3ccccc3)ccc21	749338992	ZRFGWNBZKWIAKR-UHFFFAOYSA-N	414.509	4.729	50	20	HJGD	
CC(C)[C@@H](CNC(=O)NNc1nc(Cl)c(Cl)cc1Cl)c1cccnc1	751814146	RSWKTWGUKHFFES-LLVKDONJSA-N	402.713	4.503	50	20	HJGD	
Nc1c(Cl)ccc(C(=O)NNc2ccc(Br)cc2Cl)c1Cl	752987706	WZPJOBZHHBFODQ-UHFFFAOYSA-N	409.498	4.748	50	20	HJGD	
CC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752991562	XREZEMUARVZZQH-LBPRGKRZSA-N	401.401	4.724	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2ccc(C#N)c(Cl)c2)cc1OC	753303253	IZDSSJHYNQSMOI-UHFFFAOYSA-N	408.285	4.809	50	20	HJGD	
CC[C@H](C)n1ncc(NC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)c1C1CC1	762729630	TWXHCXQRZOBWLD-SWURWDGXSA-N	423.561	4.903	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1Cl	766260141	PDCJUGDJZRLSMN-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
COc1cc(NC(=O)NNc2ccc(F)cc2Br)ccc1OC(C)C	767973314	AEFQIXJYYLVKTH-UHFFFAOYSA-N	412.259	4.533	50	20	HJGD	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NNc1cnccn1	770040624	PKKLIOOKOZCKGA-UHFFFAOYSA-N	419.464	4.670	50	20	HJGD	
N#C/C(=C\c1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773144442	LEEPBGMYYDEEKS-OQLLNIDSSA-N	402.347	4.527	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccccc3CCC(F)(F)F)c(C)cc2c1	778481217	ARSYXRYRRPHORE-UHFFFAOYSA-N	403.404	4.804	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1	780803334	FTIPXGMNRGSSRC-UHFFFAOYSA-N	409.511	4.522	50	20	HJGD	
COc1ccc(NC(=O)[C@H](OC(=O)/C(C#N)=C/c2ccccc2)c2ccccc2)cc1	785347101	VYAGTWVEHCMWAK-VVMUCNELSA-N	412.445	4.525	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC#N)cc1)c1ccc(Cl)cc1Cl	787146562	ZMNNLTGTQKRDRZ-QQFZQELXSA-N	400.265	4.680	50	20	HJGD	
O=C(/C=C/c1cnn(CCCl)c1)c1ccc(Br)cc1C(F)(F)F	790232776	LIGGCOJENWAPRI-DAFODLJHSA-N	407.617	4.799	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1	793779115	JULQPRSJIPIMGD-UHFFFAOYSA-N	417.415	4.809	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccncc1OCc1ccccc1	803398072	KKHSTNULBMJBCZ-IBGZPJMESA-N	402.585	4.991	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1	804772569	MXAXLDUPPJZYRP-UHFFFAOYSA-N	418.837	4.690	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@H](n2cccn2)C1	812917546	BGSIXKSVTKDEIW-FZMZJTMJSA-N	404.845	4.581	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1sc2ccc(Br)cc2c1C	815953463	ULDAAKCRRXOKBK-UHFFFAOYSA-N	419.300	4.516	50	20	HJGD	
CCc1nocc1CN(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2)c1C	818557687	LFODSLHCVODRCC-UDWIEESQSA-N	402.498	4.519	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F	857546042	PCNRGDMJDPAHKP-LLVKDONJSA-N	400.832	4.909	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](c2cccs2)N(C)C)c(C)n1C1CCCCC1	863940536	IVSSMRCJTUUHQC-PZHBDVNGSA-N	424.614	4.998	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC(C)C)c(C)n1C[C@@H]1CCCO1	915283853	HIXCHQXUXFRAJI-MSTPFNHUSA-N	407.514	4.617	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C	915856858	FQCWVCMFRNITHN-ZHZULCJRSA-N	418.497	4.979	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc(C)c(C)c3)cc2)n1	915940012	YAWBERBYBBTRKO-UHFFFAOYSA-N	404.539	4.766	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(N2CCCCC2)cc1	916349127	KFGABLKXVANBLU-UHFFFAOYSA-N	404.539	4.873	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1c(F)cccc1N1CCCC1	916349896	XWFAEABHOUVTMD-UHFFFAOYSA-N	408.502	4.622	50	20	HJGD	
COc1cccc(-c2nc(C=NNC(=O)c3ccc(Cl)cc3Cl)cs2)c1	916359219	PKLWPNLPDXILGH-UHFFFAOYSA-N	406.294	4.889	50	20	HJGD	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918560300	YIULSWAEWZBYIJ-OAHLLOKOSA-N	404.797	4.995	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(CCc3ccc(OC)cc3)o2)c1C	1117213269	BPUASVDLOJNOQO-OJSPLJLUSA-N	420.513	4.553	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(C)cnn3CC3CC3)c2C)cc1	1251448561	ZVYPLFBITXECRD-WSDLNYQXSA-N	413.525	4.863	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1nc(-c2ccccc2)oc1C1CC1	1324269462	AYSRIKWIJGUYQB-UHFFFAOYSA-N	416.250	4.878	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnoc1	1796990011	JUBDAJRUNZIHJP-ACDBMABISA-N	423.985	4.676	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2ccccc2)n[nH]1	1823492518	XZFHXCQZUDXSQE-IEZWGBDMSA-N	416.953	4.613	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)CC1	1830503714	HWVNGOAVKOBGPK-NHCUHLMSSA-N	422.972	4.775	50	20	HJGD	
Cc1c(NS(=O)(=O)c2ccc(CCCl)cc2)cccc1OCC(F)(F)F	727721257	AKDZOTAXUKUXMS-UHFFFAOYSA-N	407.841	4.518	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc(CSC(F)F)o1	730571043	RALBIKJLCCHOIX-UHFFFAOYSA-N	407.467	4.552	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(SC(F)(F)F)cc2)c1C	734256247	SDHDLXIVMVQGBG-UHFFFAOYSA-N	419.432	4.524	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1	737541974	BZPZJHCRZPCNQQ-SNVBAGLBSA-N	419.230	4.967	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)C1C[C@@H]2CCC[C@H](C1)C2=O	742004750	AGICCDZRWULLMR-ULKQDVFKSA-N	420.134	4.594	50	20	HJGD	
COc1ccc(C#N)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	747406263	ZJBYJILVQOQMRW-XDHOZWIPSA-N	414.440	4.659	50	20	HJGD	
CC[C@@H](C)n1c(SCC(=O)NNc2cc(C)ccc2C)nnc1-c1ccccc1	748402984	YKICLPVHVHQAEH-QGZVFWFLSA-N	409.559	4.768	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nc3ccccc3s2)o1	748709914	BGOHSJVIORKLRY-UHFFFAOYSA-N	414.830	4.875	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(Cl)ccc2OC(F)F)ccc1Br	748849928	CWCPBBRTUIWHPV-UHFFFAOYSA-N	405.626	4.769	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	751167526	WHDGMNMLEHBHTG-UHFFFAOYSA-N	424.356	4.965	50	20	HJGD	
Cc1nc(-c2cccc(NC(=O)NNC(=O)Cc3cccc4ccccc34)c2)oc1C	756191645	BNMQJTQJXZWYAO-UHFFFAOYSA-N	414.465	4.507	50	20	HJGD	
CC(C)Cc1cc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	756195074	AXQMPQFZNOVMMI-UHFFFAOYSA-N	412.384	4.843	50	20	HJGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NNc1c(Cl)cc(F)cc1Cl	768008782	HDLVEZMLWQZHOB-UHFFFAOYSA-N	401.294	4.587	50	20	HJGD	
CCc1c(C(=O)NNc2c(Cl)cccc2Cl)cnn1-c1ccc(OC)cc1	771414047	SCLYWGJDHXNYPT-UHFFFAOYSA-N	405.285	4.507	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)O[C@H]2C=CCCC2)c(-c2ccc(Cl)cc2)n1	781869291	QGSSQRHPNAMUBO-QUHSPFQSSA-N	406.873	4.676	50	20	HJGD	
C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	782009828	QXXWMWCRUAWPAV-UXNQKTKSSA-N	424.482	4.878	50	20	HJGD	
Cc1ccc2cc(C=NNC(=O)c3ccc(Br)cc3Cl)ccc2n1	783517168	SFXKVGDDYMJYRM-UHFFFAOYSA-N	402.679	4.723	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(OC)c2)c1C	790145335	BGPWQQLDWLPYIG-KDVQLTRESA-N	401.894	4.520	50	20	HJGD	
COc1cc(NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)ccc1Cl	790178308	YZLJBADADKJCPV-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
COC(=O)[C@H]1CC[C@H](C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	798211234	DVJPTDVSEKPFPN-MMPTUQATSA-N	409.857	4.824	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C	799759249	KENUFCBFNZFVNE-JLYLLQBASA-N	401.551	4.569	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2SC)c1C	800080802	OQCGDSZWBVCMPW-QWSZEGLUSA-N	411.571	4.819	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc1F	803436915	CPGCBDRSLFZFOX-UHFFFAOYSA-N	405.404	4.539	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1	817925692	MAAXXVGHYCJWNQ-UHFFFAOYSA-N	410.474	4.690	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)nc(C)n3C2CC2)c1C	819727238	CFTHKUABGRYMJJ-FYJGNVAPSA-N	415.541	4.731	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1cnc(OC2CCCCC2)c(Cl)c1	857513627	IZBVBMVWCZDELF-UHFFFAOYSA-N	414.815	4.617	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1	857545256	BSQMVYYKZONALD-UHFFFAOYSA-N	400.832	4.693	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1c(C(C)C)nn(C)c1Cl	915983682	FQCIGKJGWJPZTC-GHXNOFRVSA-N	407.301	4.713	50	20	HJGD	
O=C(NCC1CCCC1)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	916622347	KTQQUFBVPOJBED-UHFFFAOYSA-N	417.509	4.553	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1C	916727676	FJIORUPIZARDJE-KGENOOAVSA-N	424.508	4.770	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCC(C)(C)c2ccccc2)c(C)n1C[C@H]1CCCO1	919934796	GJJMAHRJWUXANP-GOOXQAOHSA-N	419.569	4.675	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	921208404	YSXWNADICOYTLQ-UHFFFAOYSA-N	421.309	4.892	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(n3cc(Cl)cn3)CC2)c1C	1320200741	RAJKCKVTWGRAQQ-XDHOZWIPSA-N	413.953	4.526	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)s3)cc2)CCC1	1787059382	LFSHJKHBCQTJIX-OAHLLOKOSA-N	406.935	4.522	50	20	HJGD	
CC1=CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)CC1	1824013316	DRHOSOMWPMMOJZ-UXHICEINSA-N	409.014	4.618	50	20	HJGD	
Cc1cc(F)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c1	1830503769	JNTGVCBCVIADJS-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CC1	20898856	CNDPVUXEPMPWQQ-UHFFFAOYSA-N	422.740	4.737	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)C(=O)Nc1ccc(F)c(Cl)c1	214097684	VYUWGGWJBJTMDB-WDZFZDKYSA-N	411.742	4.526	50	20	HJGD	
COc1cc(CN(C)C(=O)CCCC[C@H]2CCSS2)ccc1OC(F)F	726158757	GVOPGKBKNJJPFE-AWEZNQCLSA-N	405.532	4.969	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cc(-c3ccccc3)on2)c1C	726776549	SYPZQRAGJKKQFL-FYJGNVAPSA-N	402.498	4.783	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNC(=S)Nc3ccc(C)cc3C)c(F)c2)cc1	730293819	QVUNNYKNIKDDIS-UHFFFAOYSA-N	423.513	4.750	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)N(C)C3CCCCC3)o2)c([N+](=O)[O-])c1	732716493	SDXXQJOBSWVWLY-NTCAYCPXSA-N	409.442	4.561	50	20	HJGD	
Cc1cc(C(=O)NNc2ncccc2Cl)c(C)n1-c1cccc(Br)c1	734245710	GNCZAJJOOSHTFD-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2	735692702	NTEHBRAPBOOCHY-UHFFFAOYSA-N	416.859	4.830	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2	735694292	KUABSNIYZUSOSB-UHFFFAOYSA-N	423.250	4.703	50	20	HJGD	
Cc1cc(NNC(=O)c2oc3ccccc3c2CSc2cccs2)nc(C)n1	736716590	PJIHXTVYSWLFQW-UHFFFAOYSA-N	410.524	4.950	50	20	HJGD	
CC1(C)Cc2cccc(/C=C(/C#N)C(=O)Nc3nc4ccccc4nc3Cl)c2O1	737442697	DOHXLHZGQVKRLE-GDNBJRDFSA-N	404.857	4.542	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	740133101	WUOJFRYDGFGIQK-UHFFFAOYSA-N	417.347	4.509	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC2(c3cccc(Cl)c3)CC2)c1C	740810634	RMZHHIDJRLLUCT-ZVCOJXFSSA-N	411.933	4.678	50	20	HJGD	
CN(C)c1ccc(NC(=O)NNC(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1	745795033	AGDICXBETFNNDS-JOCHJYFZSA-N	423.561	4.800	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2COc2ccccc2)cc1C(F)(F)F	746888778	FFBUMXPKAHYHKC-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(OC)c(OCCC(C)C)c2)n1	747612867	LCALGLJRLIFBGO-MHWRWJLKSA-N	400.500	4.817	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1C(=O)NNc1ccccc1Br	748065942	JLLWNTVIABDIIR-UHFFFAOYSA-N	406.280	4.553	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c(C)n1-c1ccc(F)cc1	748704659	MSVATGLCUQHBLL-UHFFFAOYSA-N	421.394	4.931	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NNc1ccc(Cl)c(F)c1	748857179	RIFDUHZKIGNWNC-UHFFFAOYSA-N	407.276	4.751	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccccn2)nc2ccccc12	761591805	VPBAIMRNADJULO-UHFFFAOYSA-N	424.382	4.952	50	20	HJGD	
CCC(=O)c1ccc(OC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)c(F)c1	766547908	JKLIZMBJIHEMTG-SMLKNPDNSA-N	412.461	4.557	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ccnc4cc(Cl)ccc34)cc(C3CC3)nc21	767228041	YOWARXFKBMMJBM-UHFFFAOYSA-N	420.904	4.848	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3ccc(OC)cc3)n2)cc1	767916436	KXAXEUNUDLKRNC-VBKFSLOCSA-N	405.479	4.763	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(-c2cccs2)n1	769552567	UXCPLDAYRGSDDV-WQLSENKSSA-N	402.401	4.713	50	20	HJGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1c(Cl)cccc1OC(F)F	773105710	VXKJIBIFVLGMHA-SNVBAGLBSA-N	403.212	4.512	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)c1cc(F)cc(F)c1	773171680	OHLLEIBPZKWBKH-WZUFQYTHSA-N	405.191	4.642	50	20	HJGD	
O=C(NNc1ncccn1)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1	775562461	GQTBVOFBMPCLKL-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(OC(F)F)cc(OC(F)F)c1	775781682	RMJNFAVQZJBLAO-UHFFFAOYSA-N	412.261	4.665	50	20	HJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1	777915335	UFMNOUXXUAIDFZ-LDADJPATSA-N	403.887	4.634	50	20	HJGD	
Cc1oc(-c2ccccc2)c(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c1C	780587407	MNLKYSYHGKMZQL-UHFFFAOYSA-N	403.265	4.945	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc(OC)c1Br	780804413	CEBNTHCLICWIIX-UHFFFAOYSA-N	407.308	4.521	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(Cl)cn2)c1C	781603833	XTHJNSIAUJSIAQ-WRGQDFSISA-N	401.894	4.572	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1F)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	782197354	KHUGDMVNIVWOHX-NTEUORMPSA-N	420.271	4.515	50	20	HJGD	
O=C(/C=C\c1ccccc1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783463372	SCFKYDBHNQDOHC-WDZFZDKYSA-N	413.389	4.862	50	20	HJGD	
O=C(NC[C@@H]1CCC(F)(F)C1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	797538153	CWRBUXTYFFNVCQ-SECBINFHSA-N	408.339	4.834	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1SCc1cccs1	803435385	XCVKPMUGGGPFPH-UHFFFAOYSA-N	407.520	4.639	50	20	HJGD	
Cn1c(/C(C#N)=C/c2c(Br)cncc2Br)nc2ccccc21	806565175	JDEZCDJOESOKMZ-UXBLZVDNSA-N	418.092	4.557	50	20	HJGD	
Cc1cc(C(=O)NNc2ncccc2C(F)(F)F)cc(Cl)c1Br	806902592	ZDHOEMXEZUSRHJ-UHFFFAOYSA-N	408.605	4.582	50	20	HJGD	
N#Cc1ccc(N2CCC(C(=O)Oc3ccc([N+](=O)[O-])c4ccccc34)CC2)c(F)c1	808534550	PWRKSKWPVDXGFD-UHFFFAOYSA-N	419.412	4.581	50	20	HJGD	
COCCOCc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	809145569	AGDRBBPGANYJMY-LICLKQGHSA-N	407.363	4.797	50	20	HJGD	
CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(OCCCCl)cc3)ccc2NC1=O	811487040	RJTCCIUJWWEFFI-FOIQADDNSA-N	402.922	4.655	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)NCCc1ccccc1	817909887	BCQJQDBHGJHFFK-JXAWBTAJSA-N	403.463	4.589	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(F)cc3)c3cnn(C(C)C)c3n2)s1	821701773	JWLKVPHOWAQNNZ-UHFFFAOYSA-N	409.490	4.945	50	20	HJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1Cl	915848780	YHFUUXOUFHEBBU-LCYFTJDESA-N	407.301	4.853	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	916238025	URPXLHRQFCUMPZ-HNNXBMFYSA-N	400.693	4.742	50	20	HJGD	
CCC(=O)Nc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	916427242	LATQWIKZLZNIFA-HYARGMPZSA-N	420.557	4.723	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(OC(F)F)cc2)c1C	920491608	LBJPLJDOKVVALW-QUYZQLMHSA-N	418.440	4.564	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(OC)ccc2Cl)c1C	920817372	NSPWTDFUQRWSPU-VEJKBTLKSA-N	401.894	4.520	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCCO2)c1nc(-c2ccccc2)no1	921262137	QMVPYNYNXJTGAM-OQLLNIDSSA-N	424.254	4.725	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)C(=O)c1cc(F)cc(F)c1	1116803690	BUUCLIGAGRCNOI-JYOAFUTRSA-N	401.262	4.957	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C3(C(F)(F)F)CCC3)cc2)CCC1	1787937252	PIKZUFCKKNBQHJ-HNNXBMFYSA-N	416.871	4.871	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nccc4[nH]ccc34)cc2)CCC1	1788463074	SDEYAQVODNICDR-SFHVURJKSA-N	424.932	4.718	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CCC1	1789280172	UJNYEDOQKOGWEO-GOSISDBHSA-N	424.932	4.718	50	20	HJGD	
CCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CBr)CCC2)cc1	1791258457	JMQOOMKZPJKZEO-AWEZNQCLSA-N	409.368	4.588	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cc2sccc2[nH]1	1791604438	ZYORHAWNVDZGRC-UHFFFAOYSA-N	422.337	4.781	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccccn3)cc2)CCC1	1791939260	UKAVZZFMZBBCCB-LPHOPBHVSA-N	413.949	4.727	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cc(F)cc(Cl)c1	1792121949	VQRXSIRIKCPBKB-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)cccc2C)n[nH]1	1821187016	VQJPNPWROXKWLZ-FUHWJXTLSA-N	416.953	4.740	50	20	HJGD	
C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCCCCCCl)CC1	1830278283	RTVGKCYZJKLEQZ-JOCHJYFZSA-N	423.041	4.989	50	20	HJGD	
CC(C)Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)cc1	1830690976	CPGFOFHXTKDCKF-NHCUHLMSSA-N	422.972	4.653	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2)c(C)n1CCC(C)C	5875366	ZHGWACLHGFVMHA-KNGGAZFVSA-N	407.514	4.628	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)c(C)n1CC(C)C	726510999	SMAQEMDDNSMZAC-JRCDZQATSA-N	405.542	4.704	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	727098921	TUZAMSBNMYZFEL-UHFFFAOYSA-N	419.230	4.751	50	20	HJGD	
C=CC[C@H](C)C(C)=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1	727777314	OYOZDPGNFOUDEP-KRWDZBQOSA-N	419.554	4.731	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1	732132025	APLVKBHFVSMTNA-HSZRJFAPSA-N	414.505	4.658	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccccn2)c(C)n1-c1ccccc1F	743655909	WNWSXRKJTNBCSN-WRDGEJPTSA-N	402.473	4.755	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3cnc4ccccc4n3)c3ccccc3n2)cc1	744683857	RIGGZOVSVMUUQN-UHFFFAOYSA-N	417.472	4.917	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccccc1Oc1cccnc1	748204070	ZRCZAUJOXQDXCM-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	749463615	OFTMJXPYXPPHAO-BKNIFWKGSA-N	408.405	4.814	50	20	HJGD	
CCN(C(=O)NNC(=O)c1cc2ccccc2o1)[C@H](C)c1cccc(C(F)(F)F)c1	750284443	KFOCFIWTFWUXRF-CYBMUJFWSA-N	419.403	4.889	50	20	HJGD	
Cc1nc(Cl)ccc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	751944881	FXFFCVMBIMKBQL-UHFFFAOYSA-N	408.605	4.582	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	752618399	SUYZDPQRLBFHOO-SJWLEHQBSA-N	409.408	4.614	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1cc(NCc2ccccc2)nc2ccccc12	754475390	HPJRPWXGUCWYIW-UHFFFAOYSA-N	403.873	4.652	50	20	HJGD	
Cc1ccc(C(=O)NNC(=S)Nc2ccccc2C(C)C)c(Br)c1	755271043	LEEUFPCLPPTMCO-UHFFFAOYSA-N	406.349	4.512	50	20	HJGD	
CCn1nc(C)c(C=NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)c1C	755491182	NKRYGTZSQYVYEC-UHFFFAOYSA-N	424.932	4.825	50	20	HJGD	
CCCCCCOCc1cccc(NC(=O)NNC(=O)c2ccc3ccccc3n2)c1	756240735	VWCPYORMZXDMPI-UHFFFAOYSA-N	420.513	4.798	50	20	HJGD	
CC(C)(C(=O)NNC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1	756791240	QRGUHAQLTLKAPE-UHFFFAOYSA-N	424.888	4.658	50	20	HJGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	758418738	QZXJPYALWAIZNS-CUTJPZLCSA-N	404.249	4.724	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(C)nc3scc(C4CC4)n23)c1	764652944	CIIJWOJIXCZTOJ-UHFFFAOYSA-N	410.543	4.543	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)c1	766557218	ZFYRYISKSDOVAH-WBVHZDCISA-N	409.571	4.607	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(F)cc2Cl)c1C	768746321	GJNXOSFKSCISFG-NAQJVLLRSA-N	404.869	4.755	50	20	HJGD	
O=C(CCCc1cccc(C(F)(F)F)c1)NNC(=S)Nc1cccc(Cl)c1	770220633	RBBUKTBLFWSXPR-UHFFFAOYSA-N	415.868	4.699	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2coc(-c3ccc(OCC)cc3)n2)cc1	773118041	CHXAFMSEWTWJJH-CPNJWEJPSA-N	418.449	4.789	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)NC1CCC(F)(F)CC1	773444596	RYBWJPLLSBTHGJ-UHFFFAOYSA-N	408.339	4.977	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1	775470261	PPRWZAIJZNHXEO-UHFFFAOYSA-N	420.313	4.831	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(-c2ccc(Cl)s2)on1	779210159	ZZLNKTCORMNKCY-UHFFFAOYSA-N	403.769	4.712	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(C(F)(F)F)c2)cc1	780148432	ROUPGRBJUVADDA-AUWJEWJLSA-N	421.806	4.606	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1Cl	780634127	CKGVCNRBZYZKKK-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)c1C	784197815	DKVDHKUBEAETLV-WSDLNYQXSA-N	418.541	4.509	50	20	HJGD	
Cc1cc2c(Br)ccc(C(=O)NNc3ccc(-c4ccccc4)nn3)c2o1	785981721	URCFNANJPJOOHR-UHFFFAOYSA-N	423.270	4.718	50	20	HJGD	
COc1cc(NNC(=O)NCc2cccc(OC)c2OC2CCCC2)ccc1Cl	789009148	VVKFGTRTYXWRGR-UHFFFAOYSA-N	419.909	4.505	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(Cl)c2OCC(F)F)ccc1Cl	806825700	PRMIHVNINGMNDH-UHFFFAOYSA-N	406.216	4.795	50	20	HJGD	
O=C(NN=C[C@@H]1CCOC1)c1ccc(COc2ccccc2-c2ccccc2)cc1	812383653	VTKIJHMFBULTDQ-FQEVSTJZSA-N	400.478	4.685	50	20	HJGD	
O=C(CCc1ccc2ccccc2n1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	813574283	SGEAYYCLXKWWGB-UHFFFAOYSA-N	410.477	4.687	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)nc(C2CC2)n3C)c1C	819727135	ACQVOLMMUYDHAR-FYJGNVAPSA-N	415.541	4.502	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(C(C)C)cc2)c(C)n1C[C@@H]1CCCO1	914483462	YMMCCRLVHTVITJ-NXAROGRYSA-N	405.542	4.631	50	20	HJGD	
C[C@@H]1CN(Cc2ccc(CNC(=O)CCCC[C@@H]3CCSS3)cc2)C[C@@H](C)O1	914870157	TXPYDCMIDZJZNG-DBXWQHBBSA-N	422.660	4.626	50	20	HJGD	
N#C/C(=C/c1cc2c(cc1Br)OCO2)C(=O)c1c[nH]c2cc(F)ccc12	915990617	PWKOXIXONPCUKX-JYOAFUTRSA-N	413.202	4.588	50	20	HJGD	
CC(C)(C)NC(=O)c1cccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	916687921	HHKSFFFUPKFVHG-UHFFFAOYSA-N	416.525	4.958	50	20	HJGD	
CCCN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc(C#N)cc1	917116091	JFUUVYOMEHCFRG-UHFFFAOYSA-N	402.478	4.784	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3csc([N+](=O)[O-])c3)n2)cc1	917142380	BNGIZSYEZGZATL-CHHVJCJISA-N	410.480	4.888	50	20	HJGD	
O=C(CCCc1ccc(Br)s1)NNc1ccc(Cl)cc1[N+](=O)[O-]	917214411	PBMPUIOQNAOENB-UHFFFAOYSA-N	418.700	4.538	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](c2cccs2)N2CCCC2)c(C)n1CC(C)C	1251213478	YYRDLWZVRBDKHP-YRUATGHUSA-N	424.614	4.683	50	20	HJGD	
O=C(NNC(=O)c1csc(Cc2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1	1256691747	NHMHYESRUGTPSX-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
Cc1nc2ccccn2c1-c1nnc(/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)o1	1331875363	XGKJZBFGAZDWAL-ODLFYWEKSA-N	400.486	4.831	50	20	HJGD	
CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccccc1	1787646921	SKGPINCNFWWJQM-RBUKOAKNSA-N	402.897	4.849	50	20	HJGD	
COc1cccc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)c1C	1792076074	KIHICJAGOHEXHE-UHFFFAOYSA-N	421.324	4.555	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)cc2C)[nH]n1	1815320972	LIVTYCFFMCVTKN-IEBWSBKVSA-N	416.953	4.740	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	1824618857	MTYMERCZKOTZDJ-KMKNWIINSA-N	423.041	4.840	50	20	HJGD	
O=C(CCCc1nc(-c2cccs2)no1)NN(Cc1ccccc1)c1ccccc1	32256784	SVJSOEFLXDQWTK-UHFFFAOYSA-N	418.522	4.859	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(OC)c(OC(F)F)c1	209996571	SLLBTDQPKVAPEK-BOPFTXTBSA-N	400.425	4.967	50	20	HJGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@@H](c1ccccc1)C1CCCCC1	728595762	VNVPDWPRFCVBHJ-IBGZPJMESA-N	417.456	4.554	50	20	HJGD	
Cc1ncsc1CNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	729406015	MNCHRCCQMMMRHO-IUXPMGMMSA-N	410.930	4.736	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)nc(C)n1	736718488	KBCKTMXCGYJFHN-UHFFFAOYSA-N	403.873	4.719	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1[N+](=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl	739425004	ALBPKJDASJAWLH-SDQBBNPISA-N	417.657	4.893	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC[C@H](C)c2ccc(OC)cc2)c1C	741615849	UYXKTMGRDDYKDC-AXFWEHNFSA-N	423.557	4.538	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(OCC(F)F)cc1	741812406	RMKIFQKOTQWYET-UHFFFAOYSA-N	401.438	4.526	50	20	HJGD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)CCCC[C@@H]2CCSS2)n1	742921251	KROQQLYMYHYMSA-ZIAGYGMSSA-N	407.561	4.637	50	20	HJGD	
O=C(NCCc1ccc(Cl)s1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743538948	VAODBUVEKADQNP-UHFFFAOYSA-N	414.918	4.647	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c1C	745773587	ZVNBNAGQKJRCNV-XJCUSZMCSA-N	405.542	4.829	50	20	HJGD	
N#Cc1ccc(NNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)cc1C(F)(F)F	746896679	OJSKFCICACBHRD-CABCVRRESA-N	424.220	4.586	50	20	HJGD	
N#Cc1ccc(NNC(=O)C2(c3cccc(Br)c3)CC2)cc1C(F)(F)F	746897370	WTYCIELMAJKKLL-UHFFFAOYSA-N	424.220	4.514	50	20	HJGD	
COc1ccc(-c2noc(CCCC(=O)NNc3ccc(Cl)cc3Cl)n2)cc1	748018476	WPHIARCZAVRFNW-UHFFFAOYSA-N	421.284	4.518	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC(F)F)cc2)c1C	748436842	QSRNVAULIMEZHY-YQYFLZKSSA-N	417.456	4.502	50	20	HJGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1	751512104	GELFMFZDVDGFFW-JQIJEIRASA-N	402.406	4.794	50	20	HJGD	
O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NNc1cc(Cl)ccc1Cl	752811249	ZDYBXCPZSDPHKI-UHFFFAOYSA-N	417.252	4.866	50	20	HJGD	
Cc1cc(CSc2ncccc2C(=O)NNc2cc(Cl)ccc2Cl)no1	752812448	FRWBOODNXAWFRB-UHFFFAOYSA-N	409.298	4.734	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3cccnc3)ns2)c(C)n1CCC(C)C	756731325	RRBNCQDNRJKFAE-YBFXNURJSA-N	420.542	4.610	50	20	HJGD	
O=C(Cn1cc(Br)cn1)Nc1cccc(S(F)(F)(F)(F)F)c1	762517175	BDELWZBTYWMIIB-UHFFFAOYSA-N	406.174	4.942	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(C)n1C1CCCCC1	765232040	UUXVHTGRKWPCJE-JJBLJPBOSA-N	408.550	4.636	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1CCCC2(C1)OCCO2	767558781	FBRUVENGQAKPQO-FZMZJTMJSA-N	424.872	4.713	50	20	HJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)o1	774562367	UHGKXCSUFMQQAN-PTNGSMBKSA-N	404.378	4.714	50	20	HJGD	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NNc2ncc(Cl)cc2Cl)cc1	775537328	QQDPUEPSRGAJKR-LBPRGKRZSA-N	422.316	4.552	50	20	HJGD	
COc1ccccc1CN(Cc1cccs1)C(=O)/C(C#N)=C\c1ccc(O)cc1	776627832	LFSSLYRKVOGJIF-UYRXBGFRSA-N	404.491	4.598	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCOC2(CCCC2)C1	778002996	ZAXQTWQNKXKPFX-UHFFFAOYSA-N	407.426	4.678	50	20	HJGD	
CC(C)(C)Sc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccn1	778524857	RBKDJGVARVIERG-UHFFFAOYSA-N	414.409	4.656	50	20	HJGD	
CC1(C)[C@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@H]2CCCO[C@H]21	782982666	YKGRBOLZBQVWEF-MGPQQGTHSA-N	421.453	4.826	50	20	HJGD	
Cc1ccc(F)c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c1Br	787465499	ZSQOPZMVWCEUKV-UHFFFAOYSA-N	421.188	4.595	50	20	HJGD	
Cc1ccc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)c(-c2cnn(C)c2)c1	802708554	WBYMQEIPZKDZHD-UHFFFAOYSA-N	415.522	4.591	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc2cc(Br)cnc12	806562242	FVEOCTBXWXEZIH-UHFFFAOYSA-N	408.259	4.694	50	20	HJGD	
Cc1cccc(Br)c1C(=O)NNc1c(F)cc(F)cc1Br	813026395	WVOFKZFXUCHUTC-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
COc1ccc(NNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c(C(F)(F)F)c1	816701624	CSSFUVCKUSTCMV-UHFFFAOYSA-N	424.810	4.618	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(C(C)C)cc2)c(C)n1C[C@@H]1CCCO1	912673639	FBCJIKDUKFDVGL-KXERKJKRSA-N	419.569	4.973	50	20	HJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1cn(C)c2ccccc12	914555415	PCOBJTVIZPPRMV-UHFFFAOYSA-N	419.916	4.905	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(/C#N)C(=O)Nc1ccccc1Cl	915983744	GYTLPTOGQBCZRR-ZROIWOOFSA-N	412.827	4.966	50	20	HJGD	
Cc1ccc(OCC(=O)NN=Cc2sc(Nc3ccccc3)nc2Cl)cc1C	916299033	XPJSDJDQYWLTAT-UHFFFAOYSA-N	414.918	4.686	50	20	HJGD	
CCC(CC)[C@H](NC(=O)NNC(=O)c1cc(C)nc2ccccc12)c1ccccc1	916517659	IFEMSGPQLCWLII-QFIPXVFZSA-N	404.514	4.665	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl)O[C@@H](C)C2	916549387	NNUQMZVSHWRCCH-ODYDIQAQSA-N	403.265	4.871	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl	916632951	FAXMEVXOLPCMLM-WUXMJOGZSA-N	409.656	4.736	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)cc1OCc1ccc([N+](=O)[O-])cc1	917039549	IHROEOFAYKHGTQ-WQRHYEAKSA-N	418.405	4.874	50	20	HJGD	
CCN(CCP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC)c(OC)c1	921061965	PIEOJUJJQUKKDB-UHFFFAOYSA-N	409.466	4.544	50	20	HJGD	
CCOC(=O)c1sc2[nH]c(/C(Cl)=C\c3cccc(CCl)c3)nc(=O)c2c1C	1321221708	QAZOSZZXPBWIFF-MDWZMJQESA-N	423.321	4.945	50	20	HJGD	
C=C(C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1)C(F)(F)F	1786012676	NWLUBLSFPLAFGM-UHFFFAOYSA-N	402.844	4.504	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3)cc2)CCC1	1787722842	HOFSCHOCCXSORL-HXUWFJFHSA-N	414.933	4.607	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1	1792040127	OIXYUOLTAKHKQJ-HXUWFJFHSA-N	423.384	4.937	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)[nH]n1	1815317442	VXWJTVSUAAZDHG-FKDHNMLASA-N	420.966	4.584	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c(C)n1CC(C)C	11313243	VPVFACNOPDJIPF-UDWIEESQSA-N	404.514	4.655	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cc(F)c(Cl)cc1Cl	16135966	ZFJIXQRRCLAVAC-UHFFFAOYSA-N	400.306	4.635	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(F)cc2)c1Cl	28911917	KJFNENLMHGRSBR-LFIBNONCSA-N	424.863	4.587	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3cnc(C)s3)c2C)cc1	195581150	AGDYLPXVSJJQID-ZDLGFXPLSA-N	407.495	4.518	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1OCC	214105626	HPFRHEPJSCGUNW-XNTDXEJSSA-N	400.862	4.692	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	303576774	ZMFQSYQVCWQBEI-GHXNOFRVSA-N	412.314	4.861	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)c1ccc(Oc2ccccc2)cc1	725868987	HIFMHXXMCWUPCU-HNNXBMFYSA-N	421.522	4.734	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1cccc(C(F)(F)F)c1	726851631	SEYYMUHHLCZKRI-GOSISDBHSA-N	407.436	4.510	50	20	HJGD	
O=C(NCC1(c2ccc(Cl)cc2)CCC1)NNC(=O)c1ccc2ccccc2c1	726978581	NDWGTIVIMMPMPI-UHFFFAOYSA-N	407.901	4.559	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@H]2Cc2ccccc2)c1C	727055723	SVKSMFMINYGJBJ-OINDJNFMSA-N	419.569	4.843	50	20	HJGD	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NNC(=O)c1ccc(Cl)cc1Cl	729838277	SYKYEGBLQQEJLV-RUNBWSAHSA-N	407.297	4.645	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1oc2ccccc2c1COc1ccccc1	730289434	VYGLNLGXSOEPRD-UHFFFAOYSA-N	409.445	4.739	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(F)cccc2N2CCCC2)c1C	731462696	XAIFDJCRFHHDGS-NNIWKIFQSA-N	424.520	4.597	50	20	HJGD	
Cc1cc(CNC(=O)NNC(=O)C2CCC2)ccc1Oc1ccc(Cl)cc1Cl	732457552	SJAWRSFSKYZUCN-UHFFFAOYSA-N	422.312	4.725	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1COc1ccccc1	732975163	BXHDLZLXKWQYLB-UHFFFAOYSA-N	420.856	4.726	50	20	HJGD	
Cc1cccc(-c2cccc(CNC(=O)NNC(=O)NCc3ccc(Cl)cc3)c2)c1	732995157	VDZQFLXJNWWWNX-UHFFFAOYSA-N	422.916	4.529	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1	733922063	YCKVEWPYOREOTF-UHFFFAOYSA-N	411.868	4.673	50	20	HJGD	
COc1ccccc1[C@@H]1CCN(C(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)C1	737747779	RIMCCYIZDAAZGI-CCULFSDZSA-N	405.542	4.693	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2ncccc2C(F)(F)F)cc1	740092799	AEJKFKCSNLWXEC-UHFFFAOYSA-N	415.375	4.501	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](COCc3ccccc3)C2)c(C)n1CC(C)C	742017791	JQYKZFUXUWRMBE-MJTPSYECSA-N	419.569	4.733	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3sc(C)nc3C)c2C)c1	742088581	PCDKZSOZAUSIOT-RGVLZGJSSA-N	404.539	4.699	50	20	HJGD	
O=C(CCCc1cccs1)Nc1cccc(C(=O)NNc2ccc(Cl)nc2)c1	743818909	RXVRPUMUNCZSPY-UHFFFAOYSA-N	414.918	4.515	50	20	HJGD	
COC(=O)COc1c(C)cc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc1C	746341692	GTKGGANNEZQZEP-MHWRWJLKSA-N	411.408	4.664	50	20	HJGD	
O=C(Nc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1)OCC(F)(F)F	747588457	IUNGEHCUHCMIPM-UHFFFAOYSA-N	421.297	4.573	50	20	HJGD	
COc1ccc(Br)c(C=NNC(=O)c2ccc(Cl)cc2Cl)c1	747754787	DLMFLOLMKHRCPG-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ccccc3Br)o2)c(C)c1	748060704	YXWXXEHIDVTWMH-UHFFFAOYSA-N	415.287	4.995	50	20	HJGD	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NNc2cccc([N+](=O)[O-])c2C)c1	748666514	YIDFGRIWQWIPDW-UHFFFAOYSA-N	403.438	4.508	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)c1C	749228537	FLOQKCYAZFPWDW-HMAPJEAMSA-N	418.541	4.750	50	20	HJGD	
CC[C@H](C)Oc1cc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)ccc1OC	749442878	AJDOBQSXLDGYSD-INIZCTEOSA-N	423.538	4.689	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)c2ccccn2)c(C)n1CC(C)C	751109348	WWMKAHUILZPRQF-VCHYOVAHSA-N	404.436	4.658	50	20	HJGD	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)c1c[nH]c2ccccc12	754701525	USXRWUKPRYFNRL-UHFFFAOYSA-N	419.916	4.953	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)C/C(C)=C/c2ccccc2)c1C	756570841	DVGMUQLRKYTKLP-PHBCINJESA-N	405.542	4.781	50	20	HJGD	
CSc1cccc(NC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1C	757902668	FLCSWBYPUDTHAG-UHFFFAOYSA-N	421.522	4.616	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccc(-n2ccc(C(F)(F)F)n2)c1	760233523	JPSIHDKYENOAMR-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
O=C1Cc2cc(S(=O)(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)ccc2N1	762455786	FDRBVYJWLBLFPN-UHFFFAOYSA-N	414.377	4.639	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Br)c1)c1ccccc1	768268265	GAXULDKCJBNQAE-ZENNRRHLSA-N	421.241	4.835	50	20	HJGD	
CCOc1cc(NC(=O)NNc2ccc(Br)cc2Cl)ccc1OC	769963071	YTKAILZCCGIAQU-UHFFFAOYSA-N	414.687	4.658	50	20	HJGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	776722509	RRQAIBQHWPEYNN-AUWJEWJLSA-N	420.271	4.515	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C	777478605	GRAHYOXTTYERJO-UHFFFAOYSA-N	419.916	4.815	50	20	HJGD	
N#C/C(=C\c1cccc(Br)n1)C(=O)Nc1ccc(SC(F)F)cc1	777912992	RLXUYRULOPWYGP-CSKARUKUSA-N	410.243	4.704	50	20	HJGD	
COc1ccc2nc(NNC(=O)C[C@@H](c3ccccc3)C(F)(F)F)c(C)cc2c1	778477270	XXCVJLJAVABOIQ-KRWDZBQOSA-N	403.404	4.731	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1	782445812	FWLASDIALMHIPZ-WNPPMXKSSA-N	412.445	4.525	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1	785993277	BIGZRKPZRCXKAU-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F	787490905	WZZOBPDTDFSLMR-FFTGWUTASA-N	400.400	4.770	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1	787576576	GUQNNNKXWYSETK-LCYFTJDESA-N	406.791	4.777	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2Cl)c1Cl	792633366	FYRRKWMOSCUMTE-XNTDXEJSSA-N	412.342	4.626	50	20	HJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)c1ccc(Br)s1	794874305	FXDDNSUUAAXMIC-LUAWRHEFSA-N	402.248	4.625	50	20	HJGD	
CC(C)CCC[C@H](C)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	797612206	UDNPDAOAPAMMKG-QTKYHAHDSA-N	403.530	4.702	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800049285	OJLNBRFJEJCCCD-AWEZNQCLSA-N	423.388	4.558	50	20	HJGD	
C[C@@H]1C[C@H](C=NNC(=O)c2ccc(Cl)cc2Cl)CCN1C(=O)OC(C)(C)C	807956797	BZFHFMUTGQKVCE-CHWSQXEVSA-N	414.333	4.745	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1	811034362	UBZJSFIABSSKRR-SDQBBNPISA-N	407.209	4.561	50	20	HJGD	
CC(C)c1csc(/C(C#N)=C\c2cn(-c3ccccc3Br)nn2)n1	811692686	YKIRNEJCKKJNBW-GHXNOFRVSA-N	400.305	4.674	50	20	HJGD	
C[C@@H]1CC(=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC[C@@H]1C(=O)O	814727711	VKVSDBLNXNTSON-VLIAUNLRSA-N	414.889	4.526	50	20	HJGD	
CN(C)Cc1ccc(-c2ccccc2CNC(=O)NNc2ccccc2Cl)cc1	916260780	FLNUFKOHMOKICR-UHFFFAOYSA-N	408.933	4.895	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)CC(c1ccccc1)c1ccccc1	917196107	ASEQIUFCTDIEDL-UHFFFAOYSA-N	408.501	4.752	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)c1ccc2ccccc2c1	917547147	LYKYOAOZYSKSTL-UHFFFAOYSA-N	406.848	4.890	50	20	HJGD	
COC(=O)CC1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	918540999	DKESAMHIMATGEH-HNNXBMFYSA-N	424.872	4.713	50	20	HJGD	
CC(C)Oc1ccc(CC[C@H](C)NC(=O)NNC(=O)c2ccc3ccccc3c2)cc1	918779746	ADIHNLGPWRZLAT-SFHVURJKSA-N	419.525	4.592	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c(C)n1CC(C)C	919696960	NVZKDMWFKSHMLB-BUVRLJJBSA-N	417.553	4.789	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3nnc(-c4ccccc4)o3)o2)c(C)n1CC(C)C	1327902519	VHFRMSPSZXNPHI-ODLFYWEKSA-N	414.469	4.925	50	20	HJGD	
CC(C)C1(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Br)CCC3)cc2)CCC1	1792049579	PCBDWAAEPGQGKS-HNNXBMFYSA-N	421.379	4.730	50	20	HJGD	
CC(C)(C)CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)Cl)[nH]n1	1822116056	UFCMLSGIPNSYKF-QAPCUYQASA-N	414.953	4.933	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1	1825298131	GUQJKDMRHCVPRT-OYQYDDJWSA-N	423.022	4.789	50	20	HJGD	
COc1cc(C(=O)NNC(=O)Nc2cccc3ccccc23)ccc1OCCC(C)C	11007400	DAQXEZUXAFTMPZ-UHFFFAOYSA-N	421.497	4.740	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2nc3ccccc3s2)c1C	215317867	QAYWXARJMRUFJL-YQYFLZKSSA-N	409.511	4.572	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cccs2)c1	302542070	TWDMKJDHJUWDGK-UHFFFAOYSA-N	405.401	4.776	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)c1	728432730	YIQJTFGKAGHLSH-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc3ccccc3n2)c1C	729361235	FMOQNAYCYVRUSM-CTPANLQCSA-N	403.482	4.511	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1C[C@H]1c1ccc(Br)cc1	729515165	VYRUOOYFOWGVKI-HOTGVXAUSA-N	416.706	4.898	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)oc1C(=O)O	729937218	OHWMUCISLICJAJ-GZTJUZNOSA-N	404.378	4.838	50	20	HJGD	
COc1ccc2[nH]cc(C=NNC(=O)c3cc(-c4ccco4)nc4ccccc34)c2c1	730142226	RGYCSWIJANEJHJ-UHFFFAOYSA-N	410.433	4.749	50	20	HJGD	
O=C(Nc1ccc(N2CCCC2=O)c(F)c1)NN(Cc1ccccc1)c1ccccc1	732702112	VWHJUAHEHOUDNJ-UHFFFAOYSA-N	418.472	4.696	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cn[nH]c2)c(C)n1-c1cccc2ccccc12	733981421	ROLDKOZPPKHYPB-UUYOSTAYSA-N	409.493	4.536	50	20	HJGD	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1ncccc1Cl	734246372	SHGMCSVKFQUEQR-LLVKDONJSA-N	423.325	4.808	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)c(C)c1	738556561	XLSXUAVXOSYYEQ-AWEZNQCLSA-N	409.477	4.519	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c2)cs1	742482050	GNGWBIZWIIGXME-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(OCC3CC3)CC2)c(C)n1C1CCCCC1	743784263	GWAXUBDWBOQRBD-JCMHNJIXSA-N	409.574	4.935	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(OC(F)(F)F)cc2)c1C	744332898	QTILALWNMBWEAH-XGHPXPSOSA-N	422.403	4.724	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCN(C(C)C)C2)c(C)n1C1CCCCC1	745997894	YUWNBIVWXMGVLS-VSIOZEBNSA-N	410.606	4.754	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cnn(CC#N)c2)c(C)n1-c1cccc2ccccc12	747434492	SKRCTFHIDTXGKT-BKUYFWCQSA-N	420.476	4.513	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2ccc(Cl)cc2Cl)nn1-c1cccc(F)c1	748018287	NITWUXDFFURVGT-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NNc3cc(F)c(F)c(F)c3)c12	748811134	SQOGYMCFKAZNLK-UHFFFAOYSA-N	416.334	4.512	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl	751180120	QYJDPULHXBRYGU-UHFFFAOYSA-N	400.214	4.675	50	20	HJGD	
Cc1cccc(C(NC(=O)NNC(=O)c2cccc3ncccc23)c2cccc(C)c2)c1	753047200	NSTHAOUAOKFYGE-UHFFFAOYSA-N	424.504	4.585	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNC(=O)CCCc3ccccc3)cc2)cc1	756246050	OXFAUVSILJFANE-UHFFFAOYSA-N	414.465	4.526	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1cccc(-c2ccccc2OC)c1)c1ccccc1	756514263	ZYPBGWVBLUDGFK-HXUWFJFHSA-N	403.482	4.709	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)Nc1cc(C(F)F)ccc1Cl	757735055	ORUBUQDBJSVIQS-UHFFFAOYSA-N	403.816	4.826	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c1	759314593	COTUFYQXTRKROX-UHFFFAOYSA-N	409.845	4.592	50	20	HJGD	
N#C/C(=C\c1cncc(Br)c1)c1ccc([N+](=O)[O-])cc1Br	767361686	WTWOARKQXQILTQ-XCVCLJGOSA-N	409.037	4.579	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(Br)cc([N+](=O)[O-])c1	767406864	JZTLQONPEPNJOA-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2cc(C#N)cc(Cl)n2)c(C)n1C1CCCCC1	768703075	ZNHIKQFQOINETK-WOJGMQOQSA-N	422.920	4.581	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ncc(Br)cc2C)c1C	769736454	MEJVTPQOCKAJTM-SXGWCWSVSA-N	401.308	4.527	50	20	HJGD	
O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1cc(Br)ccc1O	776772805	SDQXNCQORGWCTL-UHFFFAOYSA-N	403.251	4.647	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(CCCn3ccnc3)CC2)c(C)n1CC(C)C	783644615	KAQJWAIGYVWIPG-IWIPYMOSSA-N	421.589	4.583	50	20	HJGD	
CC(C)(CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)CN1CCCC1	790935293	FRINRSVWSJKRLJ-UHFFFAOYSA-N	422.485	4.744	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCc3ccc(F)cc32)c(C)n1C[C@H]1CCCO1	794055501	IUNCSCZJIUDASH-IPIBWJTFSA-N	421.516	4.524	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c(Br)sc(C)c1C	799706743	TWSNHYAPGXURNL-UHFFFAOYSA-N	418.154	4.955	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCCC[C@@H]2CCSS2)C(C)(C)C1	801512320	INECWQYKKIIKRY-HZPDHXFCSA-N	416.653	4.852	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)[C@H](c1ccccc1)C1CC1	804207830	QAZIFCYFDVMVAA-HXUWFJFHSA-N	412.415	4.799	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(C(F)(F)F)cc(Cl)n1	810832370	MFHWYSYWPZNJAB-UHFFFAOYSA-N	402.562	4.957	50	20	HJGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	917544819	IGIJJGDOLJZFDI-UHFFFAOYSA-N	420.534	4.710	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(C)nc2-c2cc3ccccc3o2)cc1	920064902	OGDAHYIFMGEHOT-SFQUDFHCSA-N	412.449	4.778	50	20	HJGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	921151449	ZDOJXLAUOURDJF-OZVIIMIRSA-N	411.873	4.819	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])nn1	1339903077	RSWRGGXINXAZMF-UHFFFAOYSA-N	423.498	4.590	50	20	HJGD	
CCc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](Cl)CC)CCC3)cc2)cc(C)n1	1788839917	WZOHIFYIAVQISK-HXUWFJFHSA-N	413.949	4.718	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1	1799622038	OGAIVCDYRCJWMS-FQLMCAECSA-N	417.764	4.653	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1	5244119	GUOKELLDVBTVLH-GULXKOIASA-N	403.265	4.779	50	20	HJGD	
COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC[C@H]1CCSS1	6399206	HWCXJPXAKKNEQD-ZDUSSCGKSA-N	403.953	4.544	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2ccccn2)ccc1OCC(=O)N(C(C)C)C(C)C	16407013	SUOPGBZUHSVLMH-DEDYPNTBSA-N	407.514	4.569	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCCc1ccc(Cl)cc1	107919438	FGCZGTPRRTVFLJ-UHFFFAOYSA-N	413.930	4.556	50	20	HJGD	
CC[C@@H](C)C(C)=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1	254854027	KWPRETHAHLXZEE-MRXNPFEDSA-N	407.543	4.565	50	20	HJGD	
Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(CCCCl)cc3)[nH]c2c1	726975069	UTBKNYKJXRZWKH-HXUWFJFHSA-N	417.962	4.569	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3c(C)nn(CC)c3C)n2)cc1	727974510	LOMUUWFTJGOKAY-WQRHYEAKSA-N	405.527	4.751	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ncc(-c2cccc(Br)c2)[nH]1	731938404	PWGRYYKZSGWOEE-XNTDXEJSSA-N	407.271	4.693	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccn(-c4ccncc4)n3)c2C)c1	733769642	LKKVZEQREYSMFJ-QNGOZBTKSA-N	422.492	4.529	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4ncccc4Cl)cc3)o2)c1	734246701	LTKUUTHIZMUMPG-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cc(F)c(F)cc2F)cnn1-c1ccc(Cl)cc1	734552405	WTJRFMNEKKRYHW-UHFFFAOYSA-N	408.811	4.823	50	20	HJGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2	734745195	IJHJJWYYOJTEPW-ZDUSSCGKSA-N	406.983	4.612	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCc2ccc(F)cc2)c(C)n1C[C@H]1CCCO1	735604891	NMUHPOYEKRFJCM-XOYGFPHKSA-N	410.489	4.506	50	20	HJGD	
CCCCS(=O)(=O)Nc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1	740845146	MDZVOIAFMLMKGJ-KRWDZBQOSA-N	416.634	4.881	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c(C)c1	743765690	YIWMLKGCXBNMQV-UHFFFAOYSA-N	415.537	4.761	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c3c(nn2C)CCC3)c(C)n1-c1ccc(Cl)cc1	743838955	WAGCEAWQIZEQNV-SFQUDFHCSA-N	419.916	4.515	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(-c2ccc(Cl)s2)on1	748750723	MQFVFRHITRYZII-UHFFFAOYSA-N	412.696	4.884	50	20	HJGD	
O=S(=O)(Nc1cccc(OCC(F)(F)F)c1)c1ccc(CCCCl)cc1	751269107	JZUSNNFRTRJJGP-UHFFFAOYSA-N	407.841	4.600	50	20	HJGD	
COc1ccccc1-c1nc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cs1	754149392	BUCLBKFMHUSDNQ-UHFFFAOYSA-N	411.380	4.734	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cnn(C(C)C)c3-c3ccccc3)c(C)cc2c1	754284546	LJSIKXWAJMXFQT-UHFFFAOYSA-N	415.497	4.753	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)c3cccc4ccccc34)cc2)cs1	755549936	LSSJWBNZVGPAQH-UHFFFAOYSA-N	402.479	4.738	50	20	HJGD	
O=C(CCCOc1cccc(Cl)c1Cl)NNc1nc(C(F)(F)F)cs1	755858455	UNTQSZYNNGEODK-UHFFFAOYSA-N	414.236	4.771	50	20	HJGD	
Cn1c(C=NNC(=O)c2c(Cl)cccc2Cl)nc2cc(C(F)(F)F)ccc21	760248637	OLUIIDVVDGRCQN-UHFFFAOYSA-N	415.202	4.663	50	20	HJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1	761394562	VZDWPZWXTHYIHL-KAMYIIQDSA-N	420.271	4.515	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](CCO)c2cccs2)c(C)n1C1CCCCC1	761937908	YDNDOVWQGJSSTB-PHJXOXRPSA-N	411.571	4.819	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)c1	768715758	QXPGGNWEGOJGAU-IBGZPJMESA-N	412.877	4.722	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc(NC(=O)C2CCCCC2)c1	770061795	HCLVQWCKHROSEM-UHFFFAOYSA-N	409.515	4.964	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1cccc(COCC2CC2)c1	771128857	VEMSBXMTIDLDPH-UHFFFAOYSA-N	408.271	4.663	50	20	HJGD	
COc1ccc2sc(C(=O)NNc3ccc(Br)c(F)c3)c(C)c2c1	771680212	DGYIMEPFPUJVSQ-UHFFFAOYSA-N	409.280	4.877	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1	772850218	YYENAYMSLCJARB-LJQANCHMSA-N	414.481	4.855	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1ccccc1-c1c(F)cccc1F	778728184	FRRVAAGXRGQDGP-UHFFFAOYSA-N	415.827	4.675	50	20	HJGD	
Cc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2Br)sc2cccc(F)c12	779142733	FKLYNSKJUXBCML-UHFFFAOYSA-N	424.251	4.776	50	20	HJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2ccccc2OC(F)(F)F)on1	779209315	UQAUODMMSMOVMF-UHFFFAOYSA-N	423.416	4.931	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1cnc(-c2ccco2)s1	782135573	LRHQKHNIDQGDBT-UHFFFAOYSA-N	403.463	4.599	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C[C@@H](C)c1c[nH]c2ccccc12	784741091	LKFJLLIIQPSAAK-CQSZACIVSA-N	418.522	4.555	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]	787885969	JWLWEPCGLMBCSS-UHFFFAOYSA-N	420.450	4.540	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1Cl	788569929	YGDYDRLYXVUNOT-UHFFFAOYSA-N	409.833	4.556	50	20	HJGD	
N#C/C(=C/c1nccn1-c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl	790210050	WWHPDJZSYXZGOR-PTNGSMBKSA-N	404.278	4.517	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(-c2cccc3cccnc23)cc1	796342144	LNFUOVSNHNODGB-UHFFFAOYSA-N	407.433	4.709	50	20	HJGD	
O=C(CCc1ccc(F)cc1F)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211948	ZURWNBLNWJPOJL-UHFFFAOYSA-N	422.357	4.517	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1C	812211459	ZGSVTWIDARUQLD-YVLHZVERSA-N	414.893	4.642	50	20	HJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	813575421	ULMWCKDSAKOUNX-LBPRGKRZSA-N	417.296	4.573	50	20	HJGD	
O=C(NNc1ncncc1F)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F	814624208	OIWGOKJHTGTAAD-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
O=C(NN=C[C@@H]1CCCOC1)c1ccc(CSc2nc3ccccc3s2)cc1	814698193	VCADORYMUXRDIO-INIZCTEOSA-N	411.552	4.731	50	20	HJGD	
Cc1nc2ccc(C(=O)NNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2n1C	817014866	BKQFSCWTGDHPHF-UHFFFAOYSA-N	416.325	4.676	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)CCc2ccc(OC)c(Cl)c2)cc1	818324348	YCHIZYGLIYAULD-UHFFFAOYSA-N	419.978	4.642	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(-n3cccn3)nc2)c(C)n1C1CCCCC1	900997637	ARQLUEFMHZUYQA-ZHZULCJRSA-N	414.513	4.737	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)s1)C(=O)N1CCn2c1nc1ccccc12	912776467	DKCZUICHEQWATC-SQFISAMPSA-N	414.465	4.858	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1c[nH]c2ccccc12	914693115	LMZKZDVCWSFCOI-UHFFFAOYSA-N	404.857	4.559	50	20	HJGD	
CC[C@@H](C)c1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2)c2cccs2)cc1	916207025	WRIFQPYXWYZNPH-IIBYNOLFSA-N	407.539	4.995	50	20	HJGD	
O=C(NN=Cc1ccccc1OC(F)F)c1cc(-c2ccco2)nc2ccccc12	916283861	XGSVYBACQGVONG-UHFFFAOYSA-N	407.376	4.860	50	20	HJGD	
CCOc1cc(C=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc(Cl)c1O	916336678	MKUOZECTSXTSDT-AWEZNQCLSA-N	412.873	4.515	50	20	HJGD	
C[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccccc1	1788587795	NKGMEQFHQNLUEK-YWZLYKJASA-N	402.897	4.849	50	20	HJGD	
CC(C)C1(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Br)cc3)CCC2)CCC1	1791438579	OAUQEHDFEBOEPE-HNNXBMFYSA-N	421.379	4.730	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Cl)cccc1Cl)C2	1793682403	VEPIRBQMOZFQIA-ZWUHOBOKSA-N	417.764	4.653	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c1C	49766741	XQWQOQQYMFDFJJ-UDWIEESQSA-N	406.530	4.964	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1O	57398316	ARNAEMXFIOKNBR-SDQBBNPISA-N	421.678	4.671	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1	303529010	GXUFQMUVNGCGLI-UHFFFAOYSA-N	414.918	4.538	50	20	HJGD	
CC[C@@H](CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(C)cc1	303748848	KZIRDSHOGAXUAF-SFHVURJKSA-N	406.482	4.512	50	20	HJGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	727169598	KQOHEZBLRUXVCP-KDVQLTRESA-N	419.308	4.630	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(n3cccn3)CC2)c(C)n1C1CCCCC1	743982299	CVKPXYTZLFDSMY-PGMHBOJBSA-N	405.546	4.577	50	20	HJGD	
COc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)cc(Cl)c1OCCC(C)C	746709432	JSTXUMWRQZJDPX-UHFFFAOYSA-N	416.827	4.948	50	20	HJGD	
O=P(CCN[C@@H](c1ccccc1)c1nccs1)(c1ccccc1)c1ccccc1	746873040	XKGVHIVHCXHVFZ-QHCPKHFHSA-N	418.502	4.836	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNc2ccc(Cl)cc2Cl)c1C	748018860	QDVWCIJXEBHSAD-WJHGTXIHSA-N	421.328	4.669	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccccc2CSc2nc3ccccc3o2)c1	748045848	JHCHSEGFNRCVQK-UHFFFAOYSA-N	400.463	4.749	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccccc1COc1ccccc1	748077011	VYYDDYLUMFJGRV-UHFFFAOYSA-N	415.262	4.924	50	20	HJGD	
C[C@@H](C(=O)NNc1cccc2cnccc12)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	748776072	LNMJFDKQHNYOHU-IERDGZPVSA-N	420.513	4.580	50	20	HJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)Nc3ccccc3Br)co2)cc1	749892026	QSFRYDBDNOYLRD-XNTDXEJSSA-N	408.255	4.958	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(F)cc1C(F)(F)F	753168869	ICJVDDIQJWYVGZ-UHFFFAOYSA-N	405.189	4.926	50	20	HJGD	
C[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1nc(C2CCCCC2)no1	755067258	IZGIEHPMNRVIOA-LJQANCHMSA-N	423.497	4.782	50	20	HJGD	
Cc1sc([C@H](C)NC(=O)NNC(=O)OC(C)(C)C)nc1-c1ccc(Cl)cc1	756210641	NSVPICBXBODRMJ-JTQLQIEISA-N	410.927	4.572	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ccc(OC(F)(F)F)cc1	761588455	OIOZMMUYJDUXAF-UHFFFAOYSA-N	411.380	4.913	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Br)c1	768267750	CXUUPDFJJRXOQA-MDWZMJQESA-N	407.214	4.905	50	20	HJGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)C(=O)Nc1nc(-c2ccncc2)cs1	768467873	UPUIHONFMDGSIH-UDWIEESQSA-N	409.474	4.813	50	20	HJGD	
O=C(Cc1cccc(OCc2cccnc2)c1)NNc1c(Cl)cccc1Cl	770777933	OTGWWPRVGYVNHW-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1ccc(Oc2ccc(F)cc2)cc1	771561398	NVMQBPSVNDLISC-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
O=S(=O)(NCCSC(F)(F)F)c1cccc(S(F)(F)(F)(F)F)c1	777883662	APKVMFMBVTVUHP-UHFFFAOYSA-N	411.361	4.875	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1	783337868	MCEJKCMGIINPJP-UHFFFAOYSA-N	416.264	4.868	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C(=O)O)c1)c1cnc2ccccc2n1	790230994	HZPIGTQSERXZLW-UNOMPAQXSA-N	407.429	4.971	50	20	HJGD	
CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)c1ccc(COc2ccccc2)o1	814762214	RRRRFJZKRUCPJR-YADARESESA-N	418.493	4.927	50	20	HJGD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016702	IEILDANQKRBMGD-ZZXKWVIFSA-N	419.281	4.789	50	20	HJGD	
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1ccccc1Cl	912646737	SBUOKNXGHYJGDO-UHFFFAOYSA-N	418.884	4.958	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1ccc2ccccc2n1	914690027	HLPNTYZZVMNVCN-UHFFFAOYSA-N	416.868	4.626	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)c1C	915632654	LLGGRAXTSCUYLF-FDQHTYFHSA-N	423.557	4.884	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3Cl)o2)cc1	915863008	MVGDIZIJGQHKAO-SSZFMOIBSA-N	419.868	4.847	50	20	HJGD	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNC(=O)c1ccccc1	916248558	DZAZXSKISSYOCF-UHFFFAOYSA-N	406.795	4.617	50	20	HJGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl	916334909	QPBWZXSWIBPTTL-LBPRGKRZSA-N	418.881	4.597	50	20	HJGD	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	916580500	GMHAUZHPBQDLLY-HNNXBMFYSA-N	410.301	4.553	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)ccc1OC(=O)C1CC1	917621093	JIJIDKAKDZBDEU-OVCLIPMQSA-N	420.852	4.935	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)N(CC)CC)c1C	920013096	LFBGERPXLAETAX-HKWRFOASSA-N	406.530	4.543	50	20	HJGD	
Cc1c([C@H](C)NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cnn1C	1322871643	JHMZOMZWMZHJDE-LKFCYVNXSA-N	406.861	4.831	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cc(F)ccc1F	1790221067	SDBLWXWBRVGMKJ-UHFFFAOYSA-N	413.251	4.516	50	20	HJGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1	7208948	QJHXTCZZPSKGDR-CPNJWEJPSA-N	401.441	4.982	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1C	11141417	JHBCJKKVDKBLOU-LDADJPATSA-N	424.932	4.841	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCCC[C@H]1CCSS1	25397214	YOCMBKOFQDNAQP-IBGZPJMESA-N	403.617	4.879	50	20	HJGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	96663253	FGOJDUTXMOLCDD-SXGWCWSVSA-N	417.292	4.790	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)c(C)cc2C)c1C	215318070	VEPZQANAEKYHNY-VCYKRWNGSA-N	422.525	4.571	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc([C@@H](C)O)cc2)c(C)n1C1CCCCC1	726192633	DFFFKRAMUWOHDV-JVMBGAFUSA-N	405.542	4.887	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1	726984410	QWLGRQDLYQXOAI-GOSISDBHSA-N	416.616	4.892	50	20	HJGD	
Cc1ccc2cccc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)c2n1	727330689	RXBITFBKWJPWFP-MUIAGPEESA-N	414.509	4.686	50	20	HJGD	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NNC(=O)c1c(Cl)cccc1Cl	729831025	OUBCWBDNYKRYJU-XZHRJIJLSA-N	407.297	4.645	50	20	HJGD	
COc1cc(C)sc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	733775750	QNLNVINGVAKROK-UHFFFAOYSA-N	409.227	4.603	50	20	HJGD	
CCCCS(=O)(=O)Nc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1	740845147	MDZVOIAFMLMKGJ-QGZVFWFLSA-N	416.634	4.881	50	20	HJGD	
CC(=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc2c(c1)COC2	743420388	AOZGTDQOZPUTFU-UHFFFAOYSA-N	416.506	4.580	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	748584615	RCROCTJBBWZWKZ-LCYFTJDESA-N	419.409	4.854	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)c2cc(Br)ccc2n1	753314866	BPQWFUNNDKUWNI-UHFFFAOYSA-N	415.678	4.588	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c1	759322467	UGPPIRZNBFJFKR-UHFFFAOYSA-N	401.463	4.502	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1-c1ccccc1	760462642	FYZUJMPTGHPUPC-UHFFFAOYSA-N	402.420	4.982	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c(Br)c1O	761011100	HTPUJBKCZRXEEW-POHAHGRESA-N	410.626	4.746	50	20	HJGD	
N#C/C(=C/c1nc2ccc(F)cc2s1)C(=O)Nc1ccccc1Br	761387066	TYADTDJEKUQULB-YFHOEESVSA-N	402.248	4.744	50	20	HJGD	
O=C(NCCc1cccs1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762641027	MBOBNRQECVQFKE-UHFFFAOYSA-N	400.394	4.703	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1Br)C(=O)Nc1ccccc1Br	767715432	VXWQRHKIVCZPLV-YRNVUSSQSA-N	424.067	4.896	50	20	HJGD	
CN(c1ccccc1)c1ccc(C(=O)NNc2ccc(Br)c(F)c2)cn1	771675043	NKGQBLQVKBJECC-UHFFFAOYSA-N	415.266	4.508	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)c1cccc(F)c1	772172073	NWMLIHVMSSECKS-CIAFOILYSA-N	408.436	4.922	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccccc1COc1cccc(C=O)c1	777478580	GCIPCRKAGVOORY-UHFFFAOYSA-N	411.461	4.692	50	20	HJGD	
CCc1noc(C2CCC(=NNC(=O)c3cc4c(s3)CCCCCC4)CC2)n1	778539580	CLLLIHSRLPZGKE-UHFFFAOYSA-N	400.548	4.796	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2coc(-c3ccc(Br)cc3F)n2)c1	778931984	IRVKKGANVNHUBW-UHFFFAOYSA-N	404.239	4.617	50	20	HJGD	
CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccnc(F)c2)cc1	781364196	YHFBXQQDJUWYSG-UHFFFAOYSA-N	415.472	4.954	50	20	HJGD	
O=S(=O)(NCCSC(F)(F)F)c1ccc(S(F)(F)(F)(F)F)cc1	782985204	ZKSXEMJEAJLFHG-UHFFFAOYSA-N	411.361	4.875	50	20	HJGD	
CC(C)c1ccc(NC(=O)C(=O)NNc2ccc(OC(F)F)cc2)c(C(C)C)c1	784310679	GLGQXZJSWUEKPW-UHFFFAOYSA-N	405.445	4.617	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1	787540921	NKUUIIOVXRXHPU-SKTWIKFTSA-N	412.873	4.539	50	20	HJGD	
COc1cc(NNC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)ccc1Cl	788671447	KDBCPSOFXGAZST-CQSZACIVSA-N	409.742	4.557	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OC[C@H]2CC3(CCC3)C(=O)O2)c(C)n1C1CCCCC1	791289524	HJVKUNZCOUGWAK-PRWBYUBPSA-N	410.514	4.546	50	20	HJGD	
N#Cc1cccc(OCc2ccoc2C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791731381	OEKGJMBKTGQNNP-UHFFFAOYSA-N	402.237	4.794	50	20	HJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3cccnc3Cl)s2)cc1	792649203	SZEGAEBOXSSDHU-UHFFFAOYSA-N	402.907	4.577	50	20	HJGD	
Cc1c(C(=O)NNc2cc([N+](=O)[O-])ccc2Br)oc2ccc(Cl)cc12	800616906	QZCTYXNZCWIYHX-UHFFFAOYSA-N	424.638	4.822	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(-n2cccc2)cc1	804207936	RQCRIJASJHEVKN-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccccc1SCc1c(C)noc1C	805383056	LSWHJRVHADBRES-UHFFFAOYSA-N	412.471	4.557	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	915846020	CHGMFDARRHBLNP-NBVRZTHBSA-N	420.469	4.529	50	20	HJGD	
O=C(NC[C@@H](O)c1ccccc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918160733	QCDDDZQLSAZODG-HIFRSBDPSA-N	404.841	4.761	50	20	HJGD	
Cc1ccccc1Nc1nc2sc(C(=O)NNC(=O)OC(C)(C)C)cc2s1	920402950	LSWODBDBEPSZPQ-UHFFFAOYSA-N	404.517	4.579	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NNc2ncccc2F)cc1	1257789942	CWOUOWGIHCPARL-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc3c(c2)oc2ccccc23)c1C	1324799339	QGAQNADYUSYQQH-UHFFFAOYSA-N	409.449	4.812	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nccc4occc34)CCC2)cc1	1790486089	QPAAFZARJSOORR-QGZVFWFLSA-N	411.889	4.593	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc(F)c3F)CCC2)cc1	1790489390	YHKPIHUQGXJTEW-KRWDZBQOSA-N	420.887	4.659	50	20	HJGD	
CC(C)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occ(Cl)c3c1)C2	1792883732	BCZTUEIZBZHDEJ-QDMKHBRRSA-N	423.340	4.603	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1	1824854388	BGSDEUODRZHYMR-PMACEKPBSA-N	422.972	4.582	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CCCCC2)CC1	1830310925	YVVCTAQYWYUQAL-KUIZBPSLSA-N	409.014	4.760	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C	10539946	AKIBDRXCZYWICS-KGENOOAVSA-N	401.514	4.863	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2ccoc2)cc1OCC	253400555	UOCPJBQERZPLBJ-NVNXTCNLSA-N	402.244	4.795	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)c1	303111400	NXKCHQZGFBYDBL-NSIKDUERSA-N	401.249	4.866	50	20	HJGD	
CC(C)C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1cccc(C(F)(F)F)c1	726852046	ZWXLTTKCBAOHHK-LJQANCHMSA-N	421.463	4.756	50	20	HJGD	
C[C@H](Sc1nnc(CCC2CCCCC2)o1)C(=O)C(C#N)=C1Nc2ccccc2N1	727266403	YBCAJBBOLDTEKJ-AWEZNQCLSA-N	423.542	4.905	50	20	HJGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792555	HGVBRCBXCIAXGB-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc2ccccc12	727939165	GDHGZRRNZYDOAO-GFCCVEGCSA-N	402.281	4.852	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1cc(-c2ccc(F)cc2)nc2ccccc12	733812636	AOWFRPVEOGHPPM-UHFFFAOYSA-N	409.424	4.741	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1	741471891	QLNDLMFRZPHGJO-RGEXLXHISA-N	412.445	4.679	50	20	HJGD	
C[C@H]1CCc2c(C(=O)NNc3c(F)cc(F)cc3Br)csc2C1	741980892	VYAHWSSLEXZKHZ-QMMMGPOBSA-N	401.276	4.671	50	20	HJGD	
N#Cc1ccccc1/C=C/C(=O)NNc1c(Cl)cc(Br)cc1Cl	742005323	UDQWCRSZIXJXKZ-AATRIKPKSA-N	411.086	4.784	50	20	HJGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1ccc(-c2ccncc2)cc1	745199485	IGDPFLHFWGTOOY-UHFFFAOYSA-N	412.518	4.955	50	20	HJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNC(=S)Nc3cccc(Cl)c3)c2c1	747522615	OGSXJDKYJWRMQS-UHFFFAOYSA-N	410.930	4.705	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccc(C#N)cc3)c3c(C)noc3n2)c(C)s1	748126462	SOEHTPVJLWTUAR-UHFFFAOYSA-N	403.467	4.505	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1cccc(C)c1C)c1ccc(C(F)(F)F)cc1	748360780	VAOROHHDLSRCLY-ACCUITESSA-N	407.461	4.743	50	20	HJGD	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NNc2ccc(F)cc2C)cc1	748561440	QRBXGVKJUMMHOR-UHFFFAOYSA-N	411.389	4.600	50	20	HJGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(F)(F)F)cc3)s2)n1	759085402	BGAODHKNLAKMOT-RAXLEYEMSA-N	402.401	4.713	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1	760034632	PAAMFEFOLDXSQZ-IRXDYDNUSA-N	417.543	4.902	50	20	HJGD	
O=C(NN=Cc1ccc(F)c(Cl)c1Cl)c1ccc(F)cc1Br	761783471	YSCJCROZLGHVEZ-UHFFFAOYSA-N	408.029	4.798	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1c(-n2cccc2)sc2c1CCSC2	770197806	QSUWINZMRVJNPO-UHFFFAOYSA-N	407.923	4.878	50	20	HJGD	
C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NNc1ncc(Cl)cc1Cl	775275242	DTRIZRQYBYNGPS-GFCCVEGCSA-N	417.296	4.690	50	20	HJGD	
O=C(Nc1ccc(Cl)cc1Cl)C(=O)NN(c1ccccc1)c1ccccc1	782821336	LWAUDVPZMCLOOE-UHFFFAOYSA-N	400.265	4.801	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(OC(F)F)c(Cl)c2)cc1	787155494	QYFCRORLPDRFLX-KMHUVPDISA-N	406.816	4.734	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(F)cc3OC)c(F)c2)c(F)c1	788184000	FHQKBPKFGMAQHN-UHFFFAOYSA-N	402.372	4.545	50	20	HJGD	
COc1cc([C@H](C)NC(=O)NCCSSC)ccc1OCc1ccccc1	790672645	MGRVMBZHCNCQHG-HNNXBMFYSA-N	406.573	4.646	50	20	HJGD	
C=C(CBr)CN1CCC(c2nc(-c3ccccc3OC)cs2)CC1	791538686	DHBYNTAABFPKEL-UHFFFAOYSA-N	407.377	4.949	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@@H](S(C)(=O)=O)CC2)cc1	792880243	BUPAUVHKCUMIOH-HXUWFJFHSA-N	411.684	4.608	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1ccc(C#N)c(Cl)c1	793805329	QAGKORNPSXGNNY-UHFFFAOYSA-N	400.866	4.624	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1cnc2ccccc2n1	797751957	QCEFOOTZSIWIAI-UHFFFAOYSA-N	414.252	4.657	50	20	HJGD	
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	800566458	IJQLCAHAWABMSR-ATVHPVEESA-N	412.424	4.923	50	20	HJGD	
C[C@@H](Oc1ccccc1NS(=O)(=O)c1ccc(CCCl)cc1)C(F)(F)F	808122282	PKXZSFLCUUDUOW-GFCCVEGCSA-N	407.841	4.598	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCOC[C@@H](C2CCC2)C1	813759192	LXTCTVULFSPDAU-ZDUSSCGKSA-N	421.453	4.781	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@H]2CCCCC(F)(F)C2)c1C	814130121	NWDXAVMWBYCIKO-MOURQTBKSA-N	407.505	4.551	50	20	HJGD	
O=C(/C=C\c1ccc(Cl)nc1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014239	YGJIFNVGLZTCNQ-RQOWECAXSA-N	409.717	4.929	50	20	HJGD	
COc1cccc(COc2cccc(Cl)c2C=NNC(=O)c2ccccc2C)c1	917543138	DVZSORXWZNDALQ-UHFFFAOYSA-N	408.885	5.000	50	20	HJGD	
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	918271359	XHHLLJXZBAJQRS-GDLVEWKHSA-N	408.873	4.539	50	20	HJGD	
CCc1nc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)cs1	920280605	VFRXQQVUUXJMPY-WQRHYEAKSA-N	422.529	4.818	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc([S@](C)=O)cc2)c1C	1329737980	IFLYGTJBGGIREC-UBYRCBJFSA-N	417.534	4.686	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cnn(-c2ccccc2)c1OC	1342776512	DXWXOUPVRWNLHO-UHFFFAOYSA-N	406.511	4.831	50	20	HJGD	
CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)on1	1786012626	RGNFKXFQYPWHGM-UHFFFAOYSA-N	417.937	4.811	50	20	HJGD	
CC/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)CBr)CCC2)cc1	1792061837	OOQUIPLMUYTSJW-SXSSENBOSA-N	407.352	4.508	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(C)c2)n[nH]1	1820543355	SOAFKDBTBAOVSJ-PKOBYXMFSA-N	416.953	4.740	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)[nH]n1	1820850689	ABKKEVYLBLJCAB-FZDCUMRKSA-N	420.966	4.584	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824013247	STLBIJAAZMUSHD-LJQANCHMSA-N	411.030	4.864	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2)CC1	1824617548	VMJMFHDLNGXMOA-RTWAWAEBSA-N	404.982	4.636	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1	1830314381	XVWJCVGKGFGWJZ-UXHICEINSA-N	416.949	4.684	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2C)cc1Cl	17473493	FFZTXRUMPFIGEA-XNTDXEJSSA-N	424.863	4.836	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)c2nnc3n2CCCCC3)cc1OCC	43079315	DGMMUOOXLYSLGD-WJDWOHSUSA-N	400.910	4.910	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1)O[C@@H](C)C2	206944484	PFAWDNVGNDGEDT-CUTJPZLCSA-N	402.372	4.583	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccnc2)c(C)n1-c1cccc2ccccc12	301200910	VUUYDHZXXUEWFM-UCQKPKSFSA-N	406.489	4.866	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1O	725886423	YCPAUIHAJITROA-DEDYPNTBSA-N	407.514	4.548	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1CNS(=O)(=O)c1ccc(CCCCl)cc1	727463688	KHMPWJGGHLQOTN-UHFFFAOYSA-N	420.987	4.768	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)C2CCCCC2)c1	727758958	NCYYPUNAMFGYEL-UHFFFAOYSA-N	405.420	4.981	50	20	HJGD	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792283	OEYUSUXHDWGFOQ-MRVPVSSYSA-N	422.095	4.529	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)Cc3scnc3C)c2C)c1	731172555	DJEKBGAOBASYGG-RGVLZGJSSA-N	404.539	4.733	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NNc1ccc(Br)cc1C(F)(F)F	731478594	FLSFEDAVXXJQQW-UHFFFAOYSA-N	407.617	4.807	50	20	HJGD	
C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)NNC(=O)C3CCC3)c2C1	732140709	AQETUMLJAUJOOK-YIQZXQSLSA-N	415.493	4.512	50	20	HJGD	
Cc1cccc(COc2cccc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)c2)c1	732165598	ODGZGGJHHAUXPE-NHDPSOOVSA-N	410.477	4.638	50	20	HJGD	
CCn1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	732528902	FCPMLBPNQKWFLS-XGICHPGQSA-N	418.309	4.879	50	20	HJGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)N(CC(F)(F)F)C1CC1	732715057	IUSIPFGPJJXTOB-LCYFTJDESA-N	421.400	4.784	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3c(F)cccc3F)o2)cc1OC	734367311	HQBVSKCIRIJQMU-RAXLEYEMSA-N	410.376	4.788	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C[S@](C)=O)c2)c(C)n1CCC(C)C	734403973	HXIXHUYDRVCUDB-MIQMEJSGSA-N	411.571	4.575	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCCN(c2ccccc2Cl)C1=O	741711452	PUKQEYUJMQYDST-ZBFHGGJFSA-N	413.008	4.666	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NNc3ccc(Cl)nc3)cc12	743817086	ZHKVHIFARCRLMG-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)OC)ccc2OC(C)C)c1C	745806535	ZMXVLXOVENGTGY-UDWIEESQSA-N	423.513	4.634	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C	746820070	FXVNTXKHRDTHMV-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
C=CCCC(=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)C1CC1	747765968	LNFBBNCKZPLYMS-UHFFFAOYSA-N	417.966	4.559	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccc(F)cc2Br)c1	748074042	LTPXZWZCUXDCDB-UHFFFAOYSA-N	424.270	4.692	50	20	HJGD	
O=C(CSCc1coc(-c2ccccc2)n1)NNc1ccc(OC(F)(F)F)cc1	748501978	PPKJAOGLWLEAHN-UHFFFAOYSA-N	423.416	4.617	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(-c3nc(CC)no3)ccc2C)cc1	751052217	UWQDLQKKQPEYSY-PDGQHHTCSA-N	402.454	4.552	50	20	HJGD	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NNc3ccc(C#N)c(Cl)c3)c12	753315032	FVADLRMPTOUQQN-UHFFFAOYSA-N	421.844	4.888	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NN=Cc2cnc([C@@H]3CCCO3)s2)cc1	755530871	BWFDVNKFYLVPQM-IBGZPJMESA-N	401.532	4.718	50	20	HJGD	
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762518977	PCQZFQKINKLDDU-UHFFFAOYSA-N	420.359	4.969	50	20	HJGD	
NC(=O)c1cccc(CCNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762978735	PZSGKHCSTGVLSC-UHFFFAOYSA-N	409.380	4.807	50	20	HJGD	
CC(=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)C1CCCC1	764763665	PXWGKZQISYRTDX-UHFFFAOYSA-N	420.629	4.913	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2n1)c1ccc(Cl)c2ccccc12	765919429	RCAODUPOMFQQGK-CQSZACIVSA-N	418.884	4.747	50	20	HJGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NNc1ccc(OCC(F)(F)F)cc1	768090679	PTUAYWVAXDDGKQ-AWEZNQCLSA-N	404.388	4.692	50	20	HJGD	
N#CCc1ccc(OCc2ccccc2NC(=O)NNc2ncccc2Cl)cc1	769973168	SASSHHHQVLEFCI-UHFFFAOYSA-N	407.861	4.529	50	20	HJGD	
C=C(C)[C@H](NC(=O)NNC(=O)Nc1ccc(C)cc1Cl)c1ccc(F)c(F)c1	773476579	VHQPQRRLHQYYNQ-KRWDZBQOSA-N	408.836	4.580	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H]2COc3cc(Cl)ccc32)c1C	774516005	XKYCGYKJHHXASG-TXIOZTRBSA-N	414.889	4.550	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccccc3C)[nH]n2)c1C	775556558	RCMRVCKEGOVSAP-BCUAHEQISA-N	417.513	4.557	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c(C)n1C[C@H]1CCCO1	775557981	FACDYHCMTJEGAA-LJJBLSSYSA-N	414.509	4.825	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1	777482615	MXVULSYQSJQJLL-UHFFFAOYSA-N	406.486	4.576	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12	780730943	FNFUQEBSVPIHEF-UHFFFAOYSA-N	415.424	4.584	50	20	HJGD	
Cc1occc1-c1cc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)no1	786216621	KNXWWGJBFUQUCA-UHFFFAOYSA-N	416.846	4.578	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1Cl	787386618	GEFLKKHKKWSIRJ-VOJYKXCQSA-N	418.880	4.867	50	20	HJGD	
C[C@@H](Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C(=O)O	794689349	AFFMJWUQPMMEQZ-YFEUJDIGSA-N	401.447	4.598	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(\C#N)C(=O)c1ccccc1OC(F)F	794712170	NKIOPFJTCBYPIC-JLHYYAGUSA-N	414.799	4.620	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	803041569	NEJYLGNMPUZOEY-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1nccnc1C1CCC1	805472687	GFPRDLRSDRBXDV-UHFFFAOYSA-N	418.284	4.771	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc(C(F)(F)C(F)(F)F)cc1	806258997	JNIHNDOFYBCLRV-UHFFFAOYSA-N	401.339	4.547	50	20	HJGD	
Nc1ccc(C=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cn1	807946714	QKCLRGKQBPCALR-UHFFFAOYSA-N	422.488	4.674	50	20	HJGD	
N#C/C(=C\c1ccc(Br)c(Br)c1)c1ccc([N+](=O)[O-])cn1	812245505	SLTCKJVIRGYUJW-BJMVGYQFSA-N	409.037	4.579	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1	812959402	DANXYDOWZXNTBW-UHFFFAOYSA-N	411.474	4.608	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(C(F)(F)F)c1	813561195	STKNMLRHEPEMPZ-UHFFFAOYSA-N	419.146	4.549	50	20	HJGD	
CCc1sc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1Br	815855022	AWOMQQGJXOKKDZ-UHFFFAOYSA-N	423.254	4.771	50	20	HJGD	
Cc1c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cnn1CC(C)C	817016135	HQWHPIYOIYNTKI-UHFFFAOYSA-N	408.346	4.642	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1C	915628583	FGIYOUVFHUZKMI-VUQQOUJSSA-N	401.457	4.901	50	20	HJGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN=Cc1cn(CCC#N)c2ccccc12	916341760	KTPAAGRNWBWVBL-QGZVFWFLSA-N	422.916	4.743	50	20	HJGD	
O=C(NNC(=O)c1sc2ccccc2c1Cl)Nc1cccc(OC(F)F)c1	916970228	IUIHEWAJYFKNCQ-UHFFFAOYSA-N	411.817	4.623	50	20	HJGD	
N#Cc1ccccc1Sc1ccccc1C(=O)NNC(=O)c1ccc2ccccc2c1	918621551	ATLQEIKDWSPQSS-UHFFFAOYSA-N	423.497	4.937	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(C)n(-c3cccc(C(C)=O)c3)c2C)n1	920397967	DXBPIRLMNJIYFM-VXLYETTFSA-N	419.506	4.994	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)cc3F)CCC2)cc1	1786447046	NHEAKMYLJBRKIA-SFHVURJKSA-N	418.896	4.687	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccnc3CC)cc2)CCC1	1787091791	ULGOHMKPSMBRTC-LJQANCHMSA-N	413.949	4.799	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)[nH]n1	1815315006	RKOISGHOMQGOFZ-KVSKMBFKSA-N	420.916	4.520	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cc(Cl)c2c(c1)OCCCO2	24323105	WCHGBFHMNOYSGC-CQSZACIVSA-N	401.981	4.832	50	20	HJGD	
COc1cccc2cc(C=NNC(=O)c3ccc(Br)cc3Cl)oc12	728782072	CHRXSVDCZXVEQV-UHFFFAOYSA-N	407.651	4.621	50	20	HJGD	
CC[C@H](C#N)Oc1cccc(CNC(=O)NN(Cc2ccccc2)c2ccccc2)c1	733851595	DSBKPFFTIBCAPK-HSZRJFAPSA-N	414.509	4.789	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](c2ccccc2Cl)C(C)C)c2ccccc2n1	734673883	OGJJAPBWCVPITE-FQEVSTJZSA-N	410.905	4.538	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)Cc1cccc2ccccc12)c1ccccc1C(F)(F)F	741526707	QYXPFYQNCZIKDT-OAHLLOKOSA-N	414.427	4.742	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=Cc2cc3ccccc3nc2Cl)cc1Cl	741769566	MJHPWLMBARFPMG-UHFFFAOYSA-N	419.268	4.714	50	20	HJGD	
COC(=O)C(C)(C)c1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	743200877	UTIGIKBBGXLDKV-UHFFFAOYSA-N	417.509	4.881	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1cccc(Cl)c1Cl	743619890	UAXLLLCYUYCUBA-GFCCVEGCSA-N	402.281	4.852	50	20	HJGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c(C)c1	743764955	UQNJJGAGVDRZKK-GOSISDBHSA-N	420.340	4.667	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	744379904	DRSMYCIJNQINNZ-UHFFFAOYSA-N	412.852	4.794	50	20	HJGD	
CC[C@H](NC(=O)NNc1c(Cl)cc(Br)cc1Cl)c1ccncc1	745836147	KMIRKHWQEPGOSX-ZDUSSCGKSA-N	418.122	4.928	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CCCCC1	745838174	LZALJEOAMNRQLE-QGZVFWFLSA-N	416.525	4.815	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccc(Cl)c(F)c3)c3c(C)noc3n2)c(C)o1	746695496	DXENBUPWXWWTDS-UHFFFAOYSA-N	414.824	4.957	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)c3cccc4cccnc34)c2Cl)cc1	747356157	ORZGBMPBJGTRKW-UHFFFAOYSA-N	417.900	4.514	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	748549352	WKHYJLFVFYGOFC-UHFFFAOYSA-N	406.392	4.747	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2ccc(OC(F)F)cc2)cc1OC	748643662	JIDNSZNVOZIPIO-UHFFFAOYSA-N	414.836	4.886	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	755854296	AYNNQHJKIQKTRJ-UHFFFAOYSA-N	424.360	4.619	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cncc(-c2ccc(Cl)cc2)c1	758148238	GAXQEHQZHOTCAO-UHFFFAOYSA-N	424.957	4.904	50	20	HJGD	
CC(C)CO[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762673439	PESDWCQZNNTQPI-ZDUSSCGKSA-N	416.412	4.556	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccccc2NCc2ccccc2Cl)o1	764048606	CHTUXSKZCYGXFW-UHFFFAOYSA-N	409.877	4.692	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccccc2NCc2ccccc2)c1C	764271114	JQIOXIYMAWVYHS-UHFFFAOYSA-N	424.508	4.524	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2c1	766262378	YPFLBMJGPPBPMZ-UHFFFAOYSA-N	408.672	4.882	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1C	766563122	DKZLUBHQSZHMHX-OBVMJLIASA-N	416.500	4.862	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cn(-c2ccc(F)cc2C)nn1	768127908	WJLPNFQSQGGDDD-UHFFFAOYSA-N	409.490	4.665	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)cnn1-c1ccc(Cl)cc1	771422255	NUYRZBKKTOKOKV-UHFFFAOYSA-N	408.811	4.864	50	20	HJGD	
CC(C)Cn1ccc2cc(NC(=O)C(=O)NNc3c(Cl)cccc3Cl)ccc21	773698292	YJKIBKKYADDIKU-UHFFFAOYSA-N	419.312	4.686	50	20	HJGD	
Cc1ccc(COc2cccc(NC(=O)C(=O)NNc3cccc(Cl)c3C)c2)cc1	773766418	PFSZUBHFAQKKDZ-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
Cc1nn(C)cc1[C@H]1CCCN1C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	776488631	PLLKTYVIAWHQIM-JRXNCPAPSA-N	419.573	4.923	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)Cc1ccccc1NC(=O)OC(C)(C)C	777482354	ISHKVSUWHAVERC-UHFFFAOYSA-N	406.486	4.576	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1	787113477	VPHKHEHZGPOPNH-PGNDWZGLSA-N	411.299	4.719	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)nc(Cl)c2)c(C)n1C[C@H]1CCCO1	787937266	CMWZFXSWIOVRRK-SXKJYUOZSA-N	419.312	4.531	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccc(Oc2ccccc2Cl)cc1	788567147	ZSWGYJOSMAOSHV-UHFFFAOYSA-N	423.885	4.803	50	20	HJGD	
CSSCCNC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	790897311	XQYKSGLOMLEZAT-UHFFFAOYSA-N	406.417	4.877	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2cc(Cl)cc(Cl)c2)nn1-c1cccc(F)c1	791714337	SNDVMPBURMHWSH-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
Cn1nc(C(F)F)c2cc(C(=O)NNc3ccnc4cc(Cl)ccc34)sc21	792630169	TVCGEPRENNJWSN-UHFFFAOYSA-N	407.833	4.531	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C	799755448	ZHAFBCHWTGHUQH-UHFFFAOYSA-N	403.486	4.900	50	20	HJGD	
O=C(CCCCc1ccc(Cl)c(Cl)c1)NNc1ccc2c(=O)[nH]ccc2c1	803439666	JYGJICWHUGTCGL-UHFFFAOYSA-N	404.297	4.691	50	20	HJGD	
CCC[C@@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccccn1	806827406	TUMRNSHFGQWGNZ-GFCCVEGCSA-N	416.241	4.890	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CC[C@H](C(F)(F)F)c2ccccc21	814399201	JXOKJUFXBDVCHN-INIZCTEOSA-N	403.853	4.713	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2/C=C(\C#N)C(=O)N2CCCC2)c1	818471390	UQUMQEZLZNBNOX-XMHGGMMESA-N	400.457	4.516	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1	898975727	LSPRLXRREYUGEZ-UWUFYVNFSA-N	423.944	4.599	50	20	HJGD	
CCCN(C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C)[C@@H]1CCc2ccccc21	914512171	JXPGNRBESSLALU-GOOXQAOHSA-N	405.542	4.584	50	20	HJGD	
O=C(NN=Cc1ccc(N2CCCCC2)s1)c1ccc(COc2ccccc2)o1	916360141	IWSCDAYPHGPNIE-UHFFFAOYSA-N	409.511	4.674	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)cc1	918573693	ASGLLMCZRLKWMN-UDIPQKBFSA-N	417.553	4.541	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nnc(C(F)F)s2)c(C)n1-c1ccccc1F	920229125	KCXMPQPZDRFCCC-JYRVWZFOSA-N	417.416	4.568	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C=O)s3)CCC2)cc1	1786011887	IRAFAQNZYFERQV-UHFFFAOYSA-N	418.946	4.573	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C)s3)CCC2)cc1	1786444826	VTRNXCJYWABYNW-MRXNPFEDSA-N	405.951	4.607	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@](C)(Cl)CCl)CCC2)cc1	1786447419	VQKHRIZYRIGPHH-CRAIPNDOSA-N	419.780	4.764	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)s3)cc2)CCC1	1787057342	GNBIQKBBEPFSLJ-INIZCTEOSA-N	420.962	4.912	50	20	HJGD	
C[C@@H](CBr)C(=O)NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1	1787272884	GXPZBITVWBFZOQ-ZDUSSCGKSA-N	421.360	4.527	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3scnc3CC)cc2)CCC1	1790197527	FWSIMPIVNJTVPA-INIZCTEOSA-N	419.978	4.861	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccc(C2CC2)cc1	1790782590	GHZRHYZBXNUBCA-IBGZPJMESA-N	400.881	4.846	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)CCC1)[C@@H](F)Cl	1791524783	UOBDQVAKVZISSN-LJQANCHMSA-N	414.908	4.777	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCCc3cccnc3)cc2)CCC1	1791951089	BXKBXLZBECFFJN-HXUWFJFHSA-N	413.949	4.556	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](Cl)CCC)[nH]n1	1819552952	KWYGIDMOZDMYLG-RDJZCZTQSA-N	408.974	4.802	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c(F)c1	1830466238	LPYLCJAKBKOZBH-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	6410522	ZCSZECKUNUYMBC-RFRKOGIWSA-N	408.864	4.758	50	20	HJGD	
COc1ccc2cc([C@H](C)C(=O)NNC(=S)Nc3ccc(C)cc3C)ccc2c1	725907640	NZZXQTZEOAMBHJ-INIZCTEOSA-N	407.539	4.587	50	20	HJGD	
CC(C)[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc(-c2cccnc2)no1	728073607	MKVONPQPNZTCPA-WBVHZDCISA-N	406.577	4.659	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1ccc(SC(F)F)cc1	728176101	NLUKVBHWNUSLBZ-NTEUORMPSA-N	414.412	4.872	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)cc(Cl)c1OC	730435781	CBFLVOGUVQSXQF-BJMVGYQFSA-N	412.692	4.971	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1ccc(OCc2cccs2)c(OC)c1)c1ccccc1	731931931	UOXXYPARTOIJGH-FQEVSTJZSA-N	408.523	4.980	50	20	HJGD	
CC(C)n1c(S)nnc1[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	732164835	ARIIULIUAUOHLU-GJZGRUSLSA-N	414.666	4.568	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C1CCCCC1	732716628	WSSZYQJQBUWFAF-HMMYKYKNSA-N	411.509	4.632	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c1	732839601	UVNBNZHEXGDRFY-UHFFFAOYSA-N	413.449	4.697	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(Cl)s1	734007309	PUXDYDGWAOGQGF-PWSUYJOCSA-N	411.980	4.683	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1C	735702893	RNVWBKHXMRXIHB-KLBHJJEPSA-N	420.340	4.579	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cc(OC)c(O)cc2Br)c1C	742576034	VHLBCZIZLHOGSS-OVCLIPMQSA-N	415.287	4.558	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCC[C@H](O)c2ccccc2)c(C)n1C1CCCCC1	742821644	OEQPKYRXVWYNJJ-FOOJEKODSA-N	405.542	4.757	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC3(CC#N)CC3)c2C)cc1	744278690	OZBLSYUUZYNYQS-ZHZULCJRSA-N	403.482	4.637	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C)cc2)c1C)C1CCOCC1	746410044	MTPIUUKIDSKNOA-DLBLZJNESA-N	405.542	4.631	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	746701320	LUDLFVUBJWXJKS-KRWDZBQOSA-N	423.435	4.593	50	20	HJGD	
Cc1c(NNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cccc1[N+](=O)[O-]	748683488	VREQGWXDVNNAPB-UHFFFAOYSA-N	418.881	4.688	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2cccc3cnccc23)c(-c2ccc(F)cc2F)n1	748762903	HWFFQJOZKPLRPB-UHFFFAOYSA-N	421.451	4.888	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ncoc1-c1cccc(C(F)(F)F)c1	753423548	YPGFBWBNEZOXRF-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	754652706	GHHLFAFZRKEOMX-GUYCJALGSA-N	411.399	4.639	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(SCc3csc(C)n3)cc2)c1	759329035	XJXBAHDQZYBTMK-UHFFFAOYSA-N	403.504	4.648	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2nnc(-c3ccccc3)s2)c(C)n1CC(C)C	760008942	XUTWIDDQVOKACD-JAIQZWGSSA-N	419.554	4.503	50	20	HJGD	
Cc1nc(CNC(=O)NNc2cc(F)c(F)cc2F)oc1-c1ccc(Cl)cc1	761768281	NNNPERGMUTYUEV-UHFFFAOYSA-N	410.783	4.547	50	20	HJGD	
O=C(NNc1ccccc1F)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl	765004725	KSSILOPNBPSOEV-UHFFFAOYSA-N	414.824	4.756	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	767028527	DIWNCBPJNMUSNJ-XFWSIPNHSA-N	412.212	4.822	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@H]1CCCC2(C1)OCCO2	767558785	FBRUVENGQAKPQO-SMDDNHRTSA-N	424.872	4.713	50	20	HJGD	
CCCCn1ncc(NC(=O)NNc2ccc(Br)cc2Cl)c1C	770075782	BLEWKSGSHDWBAT-UHFFFAOYSA-N	400.708	4.556	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	774122224	UZHRIUAUTFNRBG-RVDMUPIBSA-N	412.898	4.713	50	20	HJGD	
CC(C)c1nccn1Cc1cccc(NC(=O)NNc2ncc(Cl)cc2Cl)c1	775519361	MBPQKTIUJHPMPI-UHFFFAOYSA-N	419.316	4.905	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(C)n(-c3ccccc3Cl)n2)ccc1Br	776475745	IMWRXFXUHXYNGP-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
CNC(=O)c1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777597427	BZFQKOSOYMFWLC-UHFFFAOYSA-N	416.393	4.504	50	20	HJGD	
COc1ccc(NNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)nc1	782019655	SQMUPYDNFQJEPY-NSHDSACASA-N	413.330	4.525	50	20	HJGD	
O=C(NNc1ccccc1F)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1	782708175	GLBKFABJWBNXPU-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
Cc1cc2c(Br)ccc(C(=O)NNc3nc(C(F)(F)F)cs3)c2o1	785981263	RNFAACINZXDEKW-UHFFFAOYSA-N	420.210	4.736	50	20	HJGD	
Cc1c(C(=O)NNc2nnc(-c3ccccn3)s2)oc2c1ccc1ccccc12	788565737	YLEVTVDKKZIWSN-UHFFFAOYSA-N	401.451	4.565	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2ccc(Cl)c(OC)c2)cc1OC	790179664	ZXQFQKXNOUIYJY-UHFFFAOYSA-N	413.301	4.946	50	20	HJGD	
Cc1ccc(-c2nnn(CC(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)n2)cc1	792548509	PZIMLBBWHGCEQD-UHFFFAOYSA-N	419.379	4.945	50	20	HJGD	
C[C@H]1CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C[C@@]2(CCCOC2)O1	792880232	BPLKKSIEFIJEJT-WMZHIEFXSA-N	405.655	4.978	50	20	HJGD	
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	799785691	NWDFTRIROJMQGZ-IAGOWNOFSA-N	416.653	4.854	50	20	HJGD	
CCCN(NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)OC(C)(C)C	804594984	BUJLEXFHHVVEPT-BAUKFBFWSA-N	404.473	4.814	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCCN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1	808738280	WVJNZUBHPILLMO-UHFFFAOYSA-N	416.682	4.911	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2csc(COc3ccc(C)cc3)n2)c1	811557970	JJQCGYCKJLSZMA-ZDLGFXPLSA-N	420.490	4.690	50	20	HJGD	
COc1cc(C(=O)NNc2c(C)cccc2C(C)C)ccc1OCc1cscn1	812767829	VUKYQRXIXUWHAB-UHFFFAOYSA-N	411.527	4.919	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc4oc(O)nc4c3)c2C)cc1	913055640	STOHEWQLFVVPSE-WOJGMQOQSA-N	412.449	4.795	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c(C)n1C1CC1	916284505	IDKOMVHXSOKLPC-UHFFFAOYSA-N	409.493	4.814	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3ccoc3C)c2C)cc1	919865660	WROLGFDAMMHMEZ-BKUYFWCQSA-N	403.482	4.570	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2csc(-c3ccc(Cl)s3)n2)c1	920210502	CZIMORYBPZEXNE-UHFFFAOYSA-N	422.988	4.773	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC2(c3ccc(F)cc3)CCCC2)c1C	920820492	FFKLXZKAFUTBCD-SBGXLDQMSA-N	423.532	4.944	50	20	HJGD	
CN(c1ccc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)cc1F)C1CCCCC1	920929401	PQJUZMZVJFCACG-UHFFFAOYSA-N	423.492	4.542	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)cc1OCC	920991621	YQJKEGAVJGJFHB-PTNGSMBKSA-N	422.872	4.626	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1	1785799399	AMUYGCGFDWSXGH-PBHICJAKSA-N	412.908	4.963	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cscc3OC)cc2)CCC1	1788824912	BLDYUTGDFABRKG-QGZVFWFLSA-N	420.962	4.912	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)c3ccccn3)CCC2)cc1	1790488092	HEPHAEVFVKSUAT-GOSISDBHSA-N	413.949	4.511	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c(C)cccc34)cc2)CCC1	1790967637	OJBOUFFVJYYSGV-SFHVURJKSA-N	424.932	4.636	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(C)c2)CC1	1826488066	BSHJBPMFZWBNNQ-FGZHOGPDSA-N	419.009	4.565	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)CC1	1827613530	FVBWZSWSZCNNFM-FRYIKTPZSA-N	414.993	4.747	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2C)CC1	1830309735	JZOAFRQJXNMCAZ-UXHICEINSA-N	404.982	4.554	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(CC)cc2)c1C	212294938	ZITCFSMMMMYBAK-MKYLKIGJSA-N	407.514	4.555	50	20	HJGD	
CSc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3cc(C#N)n(C)c3C)n2)cc1	215664508	BUQBVJYWIQNWLJ-LZYBPNLTSA-N	419.535	4.596	50	20	HJGD	
CCOc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)ccc1C	727342630	PUMKBEKDIWPISX-AFHVAHMMSA-N	407.514	4.537	50	20	HJGD	
CC1(CNC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCCC1	731286615	JFLORGLDRYYDKH-HNNXBMFYSA-N	408.873	4.541	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(SC(F)(F)F)cc1	731967335	SZJAPEADLGDNDF-UHFFFAOYSA-N	409.216	4.680	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1	733873068	DYJDLEAYPTWMIB-UHFFFAOYSA-N	414.962	4.993	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1	735697857	MINMVEZBZYYQIB-UHFFFAOYSA-N	414.799	4.821	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1	736212633	SGHOEMLTXYJVCW-HVQRGMKJSA-N	424.928	4.618	50	20	HJGD	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NNc2ncccc2C(F)(F)F)cc1	740095797	LOKPEMUSDUURKI-UHFFFAOYSA-N	416.334	4.660	50	20	HJGD	
CC(C)(C)NC(=S)NNC(=O)c1oc2ccccc2c1CSc1cccs1	742843475	SCOXRIDIOBFAOR-UHFFFAOYSA-N	419.597	4.694	50	20	HJGD	
CC(C)(C)Cc1nc(-c2ccc(C(=O)NNc3nccc4sccc34)cc2)no1	743416587	RBUJYZVCVSXDRS-UHFFFAOYSA-N	407.499	4.692	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1OCC	746894434	KYNYEIYGXAZMRM-UHFFFAOYSA-N	407.392	4.521	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1csc(NC(=O)C(C)C)n1	748667812	RSDABSPXCZPKPY-UHFFFAOYSA-N	416.572	4.617	50	20	HJGD	
Cc1cccc(-c2nnc(COC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)o2)c1	748774886	MLWFMMKXAGIAMQ-NHDPSOOVSA-N	418.497	4.770	50	20	HJGD	
Cc1cc(Br)cc2cc(C(=O)NNc3ccc(C#N)c(Cl)c3)oc12	753322502	KSKRRCPGCYQRQK-UHFFFAOYSA-N	404.651	4.786	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1c(Cl)cc(Br)cc1Cl	754053740	VRBDSRQOUNNOPR-ZETCQYMHSA-N	421.122	4.998	50	20	HJGD	
O=C(Cc1c[nH]c2cccc(Br)c12)NNc1cccc(C(F)(F)F)c1	754086777	IYIXEYJCPZWBLT-UHFFFAOYSA-N	412.209	4.635	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1ccccc1Oc1ccccc1Cl	755556030	FZWRGAPGRFPQLY-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1c[nH]nc1-c1cccc(Cl)c1	755565902	IECOYNFWTWBFRR-UHFFFAOYSA-N	402.882	4.502	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12	756335712	MPQOYFCZTIYWBO-UHFFFAOYSA-N	408.433	4.509	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccccc1	756447204	SXSRQDHRUAQSGD-OAHLLOKOSA-N	415.362	4.687	50	20	HJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2ccc(Br)nc2)cc1	757383856	ZKVQVVUTUDOGOW-UHFFFAOYSA-N	423.270	4.573	50	20	HJGD	
CCn1c(SCC(=O)NN=Cc2c(Cl)oc3ccccc23)nc2ccccc21	761265539	AERJEDQEZGICNH-UHFFFAOYSA-N	412.902	4.698	50	20	HJGD	
CCSCc1ccnc(NC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)c1	761960137	JEUPNVFMEMWISI-VBNMEBLOSA-N	412.559	4.506	50	20	HJGD	
C[S@](=O)Cc1ccccc1NC(=O)NNc1c(Cl)cc(Cl)cc1Cl	762915603	HHMUNYLALXSPPF-DEOSSOPVSA-N	406.722	4.674	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1cc(Cl)cc2cccnc12	763154695	RGQDOBCHKZBYDY-UHFFFAOYSA-N	406.898	4.705	50	20	HJGD	
NC(=O)c1cc(Oc2cccc(OC(=O)CCCC[C@H]3CCSS3)c2)ccn1	766732669	VCFLJAJSSIANIK-KRWDZBQOSA-N	418.540	4.592	50	20	HJGD	
CC(C)[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	773464969	BMBOFVOSIISWBP-TZMCWYRMSA-N	416.412	4.602	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cc(Br)ccc1Br	773465304	BUHRQALQKLTQDX-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@H]1CCSc2ccc(F)cc21	779520115	LRXCMYGUFZTNAC-LBPRGKRZSA-N	401.385	4.588	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)CCc2nc(O)c3c4c(sc3n2)CCCC4)cc1	780804370	AFGXGFDMTFCWRC-UHFFFAOYSA-N	424.570	4.649	50	20	HJGD	
CC(C)(CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccncc1	782986500	GHGVWCLMSDDIQW-UHFFFAOYSA-N	416.437	4.995	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ncsc1-c1ccccc1	783707377	ZDKZKKHGUSYQCN-UHFFFAOYSA-N	402.317	4.892	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	787325890	NHRVFTILYUKTSX-APEZIOSESA-N	419.481	4.756	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cccc(OCc2ccc(Cl)cc2)c1	790588486	DYCOZHNAMPWHHG-UHFFFAOYSA-N	415.808	4.723	50	20	HJGD	
COc1cccc(C(=O)c2ccc(C(=O)NNc3cc(Cl)cc(Cl)c3)cc2)c1	791730454	XPWSUGCSSZLKFB-UHFFFAOYSA-N	415.276	4.990	50	20	HJGD	
Cc1ccc([C@@H](NC(=O)NNc2ccccc2OC(F)(F)F)c2ccccn2)cc1	792293348	JJBXLPOEVVBZQT-LJQANCHMSA-N	416.403	4.704	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c(-c2ccccc2)n1	794964867	JVOXWLXFCWIHPF-RCCKNPSSSA-N	403.445	4.802	50	20	HJGD	
CCOc1cc(C(=O)NN=C(C)c2nccc3ccccc23)cc(OCC)c1OCC	811629654	ADHYIZSXYNIQEF-UHFFFAOYSA-N	421.497	4.585	50	20	HJGD	
C[C@H]1CC(=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC[C@H]1C(=O)O	814714147	SXHQKXQBONTZHK-KBXCAEBGSA-N	419.456	4.648	50	20	HJGD	
CCc1noc(C)c1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	815054175	XZGJBJPLYWIGDC-UHFFFAOYSA-N	406.398	4.681	50	20	HJGD	
CNC(=O)c1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1	914727545	SLRBDHYDZSSLNQ-BKUYFWCQSA-N	418.541	4.824	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2O)c1C	915198883	STILCCHWSOXURQ-OQLLNIDSSA-N	402.292	4.529	50	20	HJGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1	916295318	QGDOCEHLATYFNN-UHFFFAOYSA-N	419.456	4.517	50	20	HJGD	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	916735782	IMXAYDFQDMWMQE-MRVPVSSYSA-N	422.095	4.529	50	20	HJGD	
O=C(NNC(=O)c1ccccc1F)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1	916827360	GPHWFLSCRANXAW-CPNJWEJPSA-N	412.823	4.620	50	20	HJGD	
CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](Cl)CC)CCC3)cc2)c1	1790342723	XBKBGFWTMASJJO-FQEVSTJZSA-N	414.933	4.850	50	20	HJGD	
C[C@@H](CBr)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1	1790465203	KDWXHLZWNCPQBC-HOTGVXAUSA-N	419.363	4.508	50	20	HJGD	
C[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CC=CCC3)CCC2)cc1	1791436601	UPTWIJXWWDAHRY-FOIQADDNSA-N	419.363	4.650	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C3(c4ccccc4F)CC3)cc2)CCC1)[C@@H](F)Cl	1792279347	MFZIDAGNJUWNOO-GOSISDBHSA-N	418.871	4.526	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)CC1	1830003161	CMWMNKHIMSPYAE-VXKWHMMOSA-N	419.009	4.944	50	20	HJGD	
CC(C)Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)cc1	1830690978	CPGFOFHXTKDCKF-RTWAWAEBSA-N	422.972	4.653	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(F)cc1	28356235	MVOUBBTYNWOZQZ-CPNJWEJPSA-N	408.473	4.769	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC#N)c(OC)c3)n2)cc1	141608522	MLVVDVIKBQLFKX-GZTJUZNOSA-N	403.463	4.794	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ncc(-c3ccccc3)[nH]2)c1C	725891410	BZAPVSTYOBOSDS-FYJGNVAPSA-N	401.514	4.519	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl	727264276	PFVPNSSYBRCYOH-NTEUORMPSA-N	420.271	4.515	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(OCC#N)cc2)c1C	727677895	WSPAVMYJGUVGBA-HZHRSRAPSA-N	424.504	4.528	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@]2(C)CCOC2)c(C)n1-c1cccc2ccccc12	733116068	YHQJSOFJHMBHGZ-WUCQSXAQSA-N	413.521	4.697	50	20	HJGD	
CC(C)(C)[S@](=O)CCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	735864019	MXKKIMZYVVBOGM-XELLLNAOSA-N	416.918	4.575	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C)c1ccc(F)cc1F	737645379	QAZRXVXCVHPBBE-WZZPSOHESA-N	415.484	4.765	50	20	HJGD	
CN(C[C@H]1CCCN1C(=O)CCCC[C@H]1CCSS1)C(=O)OC(C)(C)C	742882372	HKRXBSWVJRSSLD-CVEARBPZSA-N	402.626	4.558	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c(Cl)c1	743569134	MQUAXQVBBNKZDA-HNNXBMFYSA-N	402.926	4.741	50	20	HJGD	
CSc1cccc([C@H](NC(=O)NNc2cccc(C#N)c2)c2cc(F)ccc2F)c1	745903045	BZPLBVNUKOLZMH-NRFANRHFSA-N	424.476	4.974	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(Oc2ccccc2Cl)nc1	746692673	XYSYSDMKRUHSIX-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
Cc1c(NNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cccc1[N+](=O)[O-]	748681952	XVAMOGZDCPPLSG-UHFFFAOYSA-N	418.478	4.824	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(-c2ccc(Cl)s2)on1	748702163	NYQVUICQQOVCLW-UHFFFAOYSA-N	417.796	4.755	50	20	HJGD	
CCOc1ccccc1[C@H](CC)NC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	751196974	FONRGPSCDUZIQJ-MJEMMOSTSA-N	423.557	4.886	50	20	HJGD	
COc1ccc(COC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1SC(F)(F)F	754548119	XSIJHFSVRVHEIP-ZSOIEALJSA-N	409.385	4.663	50	20	HJGD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cc1	757422779	SVFMHHBBUSNDOH-MRXNPFEDSA-N	407.422	4.643	50	20	HJGD	
Cc1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1S(N)(=O)=O	762603350	BMWOPDQMZDTFJJ-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
Cc1ccc(F)c(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1F	767148491	VEVUTLVMYGIQIC-UHFFFAOYSA-N	423.794	4.577	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccc(F)cc2)n1)c1ccc(Br)s1	767164916	BBYPCGXDIFBAOT-UHFFFAOYSA-N	410.293	4.537	50	20	HJGD	
COc1ccc(Br)cc1C(=O)NNc1c(Cl)cc(F)cc1Cl	767403242	YFSPERKZDOGZEO-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)C(=O)Nc1nc2ccccc2nc1Cl	767716903	HCUZFIMMJWATHA-UKTHLTGXSA-N	409.902	4.943	50	20	HJGD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	768009171	MOXNLIBLTUICAZ-GFCCVEGCSA-N	413.276	4.565	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NNc2ccc(F)c(F)c2F)c1	770032476	OAERWLHLQKUFQW-UHFFFAOYSA-N	414.359	4.739	50	20	HJGD	
C[C@@H](c1ccccn1)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773069042	RWFJUKVQESURFA-NSHDSACASA-N	409.380	4.897	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1ccccc1NCc1ccccc1Cl	774789495	WZTPFJOPGDPXOA-UHFFFAOYSA-N	403.873	4.652	50	20	HJGD	
CC(C)[C@H]1C[C@@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO1	778055324	PTXAUSUWCYZWHH-SMDDNHRTSA-N	409.442	4.826	50	20	HJGD	
CN(CCC1CCOCC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782985141	MASLFVJPSSLNDI-UHFFFAOYSA-N	409.442	4.781	50	20	HJGD	
CC(C)(C(=O)NNc1nnc(-c2ccccn2)s1)c1ccc(-c2ccccc2)cc1	788560938	SJVXZOMEKWYMIE-UHFFFAOYSA-N	415.522	4.688	50	20	HJGD	
CN(C)C(=O)CC1CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1	792877602	SXUNGHASUOKNHI-UHFFFAOYSA-N	404.671	4.899	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1-n1cncn1)C(=O)c1ccc(F)c(C(F)(F)F)c1	794946142	NRMWPLGHOTVCAS-ACAGNQJTSA-N	420.753	4.868	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)C2CCOCC2)cc1OCC	794956895	BBRJUCBYJPSTEC-YBEGLDIGSA-N	422.319	4.539	50	20	HJGD	
Cc1cccc(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1	795200652	OMYMHWTWBPWVEY-UHFFFAOYSA-N	402.410	4.568	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1c(F)cccc1F	804209212	QFBISZPPEVLNAI-LLVKDONJSA-N	422.357	4.687	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(COc2ccc(F)cc2)o1	812017770	LEPRJFNAYNFNQW-UHFFFAOYSA-N	411.820	4.956	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3	812765804	VSQQPVNHBYOVIL-UHFFFAOYSA-N	424.570	4.783	50	20	HJGD	
COc1ccc(NNC(=O)c2sc(-c3ccccc3)nc2C)c(C(F)(F)F)c1	816702721	ZIPYLBGHWTWHMZ-UHFFFAOYSA-N	407.417	4.903	50	20	HJGD	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	875680052	FWJCXGVJERRROA-HVUZKSCUSA-N	420.557	4.676	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4ccc(F)cc4F)cc3)o2)c1	879251060	CJWSERXFOUQLBO-UHFFFAOYSA-N	406.392	4.747	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c3ccco3)c2C)cc1	914495983	PFFCHQTZUYOTDH-WRDGEJPTSA-N	403.482	4.822	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cncc(Br)c2)c1C	915167988	SCBRHIVDKBHLHZ-NVMNQCDNSA-N	416.319	4.713	50	20	HJGD	
Cc1ccc(NNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1	916162923	QXWYTZIPSBJGKV-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N(CCO)Cc1ccccc1	916676705	GCRGBGMLYSJKFL-MRXNPFEDSA-N	418.868	4.932	50	20	HJGD	
Cc1c(C=NNC(=O)c2c[nH]c3ccccc23)c2ccccn2c1C(=O)c1ccccc1	917564725	FOOVQVRYRUNDHK-UHFFFAOYSA-N	420.472	4.724	50	20	HJGD	
COc1cc(C=NNC(=O)Cc2c[nH]c3ccccc23)ccc1OCc1cccs1	917573470	YFQZLXPEZNVYPI-UHFFFAOYSA-N	419.506	4.510	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1	918583468	RECKLXFYIDOWLP-HMMYKYKNSA-N	412.493	4.831	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3F)c2)cc1	920066136	RSNHWGCMMBYDGN-FYJGNVAPSA-N	416.452	4.637	50	20	HJGD	
Cc1cc(OC(=O)COc2ccc(C3SCCCS3)cc2)ccc1[N+](=O)[O-]	921245612	ORRVJVXIFDRNMJ-UHFFFAOYSA-N	405.497	4.756	50	20	HJGD	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Br)CCC2)cc1	1790453366	AXSSQLWJNVBJDI-OAHLLOKOSA-N	407.352	4.650	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cscc3OC)CCC2)cc1	1790486605	FFFCXCDXLCSMOR-INIZCTEOSA-N	406.935	4.522	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)C3CC(C)(C)C3)cc2)CCC1	1791645369	AZEWPBUCNNBXST-CQSZACIVSA-N	421.379	4.588	50	20	HJGD	
CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(Cl)Cl)n[nH]2)cc1	1822421714	XAVFLYBKYZMKQD-MRXNPFEDSA-N	423.344	4.643	50	20	HJGD	
C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1)c1cccs1	1822703237	HUQZZAQBQLSCIK-UKRRQHHQSA-N	422.982	4.532	50	20	HJGD	
O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NNc1ccccc1[N+](=O)[O-]	10367235	ZIJDTDRHSMPGOM-UHFFFAOYSA-N	418.428	4.958	50	20	HJGD	
Cc1cccc2c1N=C(O)/C2=N\NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	23740385	WSTRXYDBSQRUOU-UHFFFAOYSA-N	421.460	4.583	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2csc(COc3ccc(C)cc3)n2)c1	63275829	VWHRFWYUGBGLFX-YBEGLDIGSA-N	405.479	4.585	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1	219923765	TWAHISYOJRPRNR-ZCQLHAAUSA-N	412.873	4.525	50	20	HJGD	
N#Cc1ccc(CSc2ccccc2C(=O)NNC(=O)c2ccc(Cl)cc2)cc1	301217794	HEYSRANKVQXOCP-UHFFFAOYSA-N	421.909	4.579	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1	725869179	KLZIJKACNQWPOW-QGZVFWFLSA-N	404.470	4.884	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccccc2O)c(C)n1-c1ccc(F)cc1	725887000	ZXWXXWCWTNUDCH-DEDYPNTBSA-N	403.457	4.504	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(OCC#N)cc3)c2C)cc1	727677507	BVYDENOQLQCBAX-HZHRSRAPSA-N	424.504	4.528	50	20	HJGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@H](c1ccccc1)C1CCCCC1	728595763	VNVPDWPRFCVBHJ-LJQANCHMSA-N	417.456	4.554	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc3ncccc3c2)c1C	729800976	NSQTVGBDJXWRGY-ORWNMUSCSA-N	403.482	4.511	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NN=c2cc[nH]c3ccccc23)c(C)c1	730289182	ABEZKIFNHFKESY-UHFFFAOYSA-N	400.507	4.577	50	20	HJGD	
Cc1ccc([C@@H](NC(=O)NNc2ccc(Cl)nn2)c2ccc(F)cc2Cl)cc1	731118395	BOJQROXTECQVTN-GOSISDBHSA-N	420.275	4.647	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C(=O)O)c1)C(=O)OC1CCCCC1	731664093	UFMJVTZKEGEXHK-UYRXBGFRSA-N	405.450	4.747	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3csc(N(C(C)=O)C4CC4)n3)n2)cc1	734304816	XHUMQJCQLMMBJS-OQLLNIDSSA-N	422.535	4.855	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNc3c(F)cccc3F)cc12	735700878	MZJHRHFMUFKIIV-UHFFFAOYSA-N	402.401	4.570	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(Cl)cc2)c1C	740764505	XCXVKUITJHJIEX-PDGQHHTCSA-N	420.900	4.756	50	20	HJGD	
Cc1nc(C)c(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)s1	742089309	WGOPVAZEFPCERF-VCHYOVAHSA-N	408.502	4.530	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccccc1OCCOc1ccccc1	746698374	CXUZDDNOUIIPTG-UHFFFAOYSA-N	400.837	4.694	50	20	HJGD	
Cc1ccc(CNC(=O)C2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)cc1	746866939	QQZYCDQQTOHKIG-FQEVSTJZSA-N	420.644	4.564	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2ccccc2c(Cl)n1	747710923	XHTYXBVRSIGUJY-UHFFFAOYSA-N	410.739	4.572	50	20	HJGD	
CN(C(=O)c1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1)c1ccccc1	757126757	TYLHEBVBDPCYNC-UHFFFAOYSA-N	413.399	4.739	50	20	HJGD	
C[C@H](C(=O)NNc1cccc(C(F)(F)F)n1)c1cccc(C(=O)c2ccccc2)c1	762247956	POLLYWHTTWSVJC-AWEZNQCLSA-N	413.399	4.578	50	20	HJGD	
CCCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762519327	YSDMGSMOLCBYQA-LBPRGKRZSA-N	404.426	4.984	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc(CSC2CCOCC2)c1	768155806	UOXXBPSHJLWBIM-MRXNPFEDSA-N	400.382	4.847	50	20	HJGD	
Cn1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(-c2cccs2)n1	768290282	FSGLKULCIYBNOD-UHFFFAOYSA-N	401.706	4.866	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cn(C)nc1-c1cccs1	769550613	BVIRYRLPIDYAEY-MDWZMJQESA-N	412.902	4.665	50	20	HJGD	
CCN(CC)C(=O)c1ccc(NC(=O)NNc2nc3ccccc3s2)cc1Cl	769948518	WYJORFQGCHOEHW-UHFFFAOYSA-N	417.922	4.580	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)Nc1cccc(OCc2ccc(Cl)cc2)c1	770026592	FYHGWSNHOGMRQR-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
COc1cc(/C=C(\C(=O)OC[C@@H](C)CBr)c2ccccc2)ccc1O	770344469	LVFKEBPJXQBLOM-XGHPXPSOSA-N	405.288	4.516	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)C(=O)Nc1ccc(SC2CCCC2)cc1	770810921	HSRFOTTVXFWYGV-UHFFFAOYSA-N	407.898	4.596	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(SC2CCCC2)cc1	773739162	BFEATGPSTBYUJG-UHFFFAOYSA-N	423.460	4.822	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)NNc3ccc(C(F)(F)F)cn3)cc2)nc1	775620297	MPPJAYFTXLNAJC-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1	782451965	XJVRNNNMXSPRSH-BRFSQIRFSA-N	421.428	4.794	50	20	HJGD	
CC(C)Oc1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc1Cl	782822379	XRTPIXDMRBAMBP-UHFFFAOYSA-N	423.900	4.935	50	20	HJGD	
C[C@H]1CCCCN1[C@H](C)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782985164	YRGGWPUDQJCIQD-QWHCGFSZSA-N	422.485	4.885	50	20	HJGD	
CC(C)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO1	782987959	QIQFAVIOOZIBPJ-FZMZJTMJSA-N	409.442	4.826	50	20	HJGD	
CC(C)c1ccc(-c2nc(C(=O)Nc3cccc(NC(=O)NN(C)C)c3)cs2)cc1	788254873	MAZVFLGWCNBCGD-UHFFFAOYSA-N	423.542	4.784	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc([C@@H]3CCCO3)nn2C)c(C)n1C1CCCCC1	790125600	SSHMCGWAGNMVTM-QUYTYNJFSA-N	421.545	4.741	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800049286	OJLNBRFJEJCCCD-CQSZACIVSA-N	423.388	4.558	50	20	HJGD	
COc1cc(NNC(=O)c2cc(F)c(Br)c(Cl)c2)ccc1Cl	803262136	SWQJELIHWSCVGU-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
O=S(=O)(NCc1noc2ccccc12)c1ccc(S(F)(F)(F)(F)F)cc1	808308948	SRJCVFLEQQWRGP-UHFFFAOYSA-N	414.377	4.964	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1ccc(Oc2cccnc2)cc1	808899043	YMKZQSILXNMESD-UHFFFAOYSA-N	417.238	4.924	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3sccc3c2)c(C)n1C[C@@H]1CCCO1	811589372	KDQCZCWXOHJCAO-ATEMXAKRSA-N	419.550	4.722	50	20	HJGD	
COc1ccc(NNC(=O)c2cnc(Cc3ccccc3)s2)c(C(F)(F)F)c1	816701573	AUYAJGLXTDDGAX-UHFFFAOYSA-N	407.417	4.518	50	20	HJGD	
CCOc1ccc(NNC(=O)CCCCOc2ccc(Br)cc2)cc1	817885522	BQPILNXFBMQVHY-UHFFFAOYSA-N	407.308	4.540	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1	857494261	LKPADVNJUBQJQB-UHFFFAOYSA-N	408.502	4.967	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3nnco3)c2)c1C	914573602	DMHNPOUNOVQPKE-MTJSOVHGSA-N	423.476	4.998	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2c(F)c(F)c(F)c(F)c2F)c(C)n1-c1ccccc1	915906454	MLHGWFZEOPLMEV-UHFFFAOYSA-N	407.342	4.554	50	20	HJGD	
Cc1ccc(OCC(=O)NN=Cc2sc(Oc3ccccc3)nc2Cl)cc1C	915941839	AXSPXKPAEPSZPX-UHFFFAOYSA-N	415.902	4.735	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1C	916480060	DLAUQIPHGYMLNF-KGENOOAVSA-N	420.557	4.979	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nnc(-c3ccccn3)s2)c(C)n1CCC(C)C	916503973	NHZOUKODHATVJM-PDGQHHTCSA-N	420.542	4.610	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C(=O)c2ccccc2)C(C)C)c1C	918818199	NMANJVILLGDTTH-NZGQIRARSA-N	422.525	4.670	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(C(=O)c3cccs3)CC2)c1C	1116227008	QHWOYKKXNLKLOI-ZHZULCJRSA-N	409.555	4.605	50	20	HJGD	
Nc1cnnc(NNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1Cl	1319239996	ARBXKBKKTZPUEN-UHFFFAOYSA-N	423.112	4.644	50	20	HJGD	
Cc1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)cnc1C	1786011556	DTLMDODRGXPPIO-UHFFFAOYSA-N	413.949	4.711	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CCC2)cc1)[C@H](F)Cl	1788580732	PPDLJVSMSWJYEV-QRVBRYPASA-N	418.871	4.598	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccnc3Cl)CCC2)cc1	1790488146	VFNJBTFRKZFCRY-CQSZACIVSA-N	424.303	4.639	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)CCc3cccc(C)c3)CC2)C1	1806153939	QOGLZDAAXZWOEP-NRFANRHFSA-N	419.009	4.566	50	20	HJGD	
CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCCCCCCCCCCl)CC2	1814217765	LPTDFQOBSKKRPR-MRXNPFEDSA-N	414.015	4.825	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1	1815568178	WUNPWJRZRTZESH-OCCSQVGLSA-N	422.879	4.542	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2)n[nH]1	1816959209	BBEWKXIDUXIJPJ-NYQNCTAXSA-N	414.937	4.523	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc(C(F)(F)F)c2)c1C	24161333	IWQQDLNOIOZIHG-GDXCHIGESA-N	420.431	4.982	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1C	141488031	BXRVYFROMMMUTC-OFFMQOAPSA-N	417.513	4.788	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc3c(s2)CCCCC3)c(C)n1C[C@H]1CCCO1	217919480	CQUWZRVKIYVNNZ-XLXASQRYSA-N	424.570	4.555	50	20	HJGD	
CN(CC(C)(C)C)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	726924232	OAEAFZIWJBCYFV-ATVHPVEESA-N	409.921	4.529	50	20	HJGD	
Cc1ccc2cccc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)c2n1	727330688	RXBITFBKWJPWFP-JFLYLQGUSA-N	414.509	4.686	50	20	HJGD	
O=C(CCc1cccc(OC2CCCC2)c1)NNC(=S)Nc1cccc(Cl)c1	727865332	QBSZRMKTOFFYNL-UHFFFAOYSA-N	417.962	4.612	50	20	HJGD	
Cc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3cnn(CCCl)c3)c2C)cc1C	728695952	IVABTEBPCNLZDU-RGVLZGJSSA-N	406.917	4.936	50	20	HJGD	
CN(c1ccccc1)c1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cn1	729515442	ZFBVZDCMGNUGIY-UHFFFAOYSA-N	403.873	4.808	50	20	HJGD	
O=C(NNc1nccnc1Cl)[C@H](Sc1ccccc1Cl)c1ccccc1	734260703	GLIDFNNJMWZXRV-OAHLLOKOSA-N	405.310	4.760	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(C)nc3ccccc23)c1C	735889992	OTHDQCBYTPUIAC-UZQMFHLOSA-N	417.509	4.819	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(C=NNC(=O)c2cccc3ccccc23)cs1	741465614	QJFGFGXYNXTQOH-UHFFFAOYSA-N	414.490	4.745	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ccc(C(F)(F)F)cc3)cc(C3CC3)nc21	747590671	CDINPJWQPRYBFF-UHFFFAOYSA-N	403.408	4.665	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	747995205	KOYOOWNCDJHDGZ-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1	748102284	ZWGQRHDTYOLETF-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(F)cc2C)c1	748563704	YZKICPFPLNKFJO-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1OC1CCCC1	752633847	CLTOWKKCYVRFQV-UHFFFAOYSA-N	424.419	4.715	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)NN(C)C)c3)c(F)c2)cc1C	753075411	SXAFMBWYBPLGGP-UHFFFAOYSA-N	420.488	4.960	50	20	HJGD	
COc1cc(Cl)c(C=NNC(=O)c2ccc(COc3ccccc3)o2)cc1Cl	753922713	CBHHEZJEYNMKEZ-UHFFFAOYSA-N	419.264	4.938	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3c(C)cccc3C)cc2)n1	755487889	QCOWDILFRFFNMY-UHFFFAOYSA-N	404.539	4.766	50	20	HJGD	
COc1ccccc1SCC(=O)NN=Cc1ccc(Cl)c(C(F)(F)F)c1	761271161	FVIFPQQXYSQLPF-UHFFFAOYSA-N	402.825	4.610	50	20	HJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)Nc3nc(-c4ccncc4)cs3)cc2c1	763278095	VCIMDFFKNJCSOY-GDNBJRDFSA-N	402.435	4.506	50	20	HJGD	
Cc1nc2scc(C3CC3)n2c1C=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	764667659	NKXPIFMWFISQFG-OAHLLOKOSA-N	418.522	4.652	50	20	HJGD	
C[C@@H](C#N)CSc1ccccc1NC(=O)NNc1ccc(F)cc1Br	770026120	WUBSVTLUFBISIX-NSHDSACASA-N	423.311	4.989	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)[C@@H](Sc1ccccc1)c1ccccc1	771554119	VWPKQSDOLBENLO-SFHVURJKSA-N	414.328	4.821	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2occc2C(=O)O)cc1)C(=O)c1cc(F)cc(F)c1	773171435	MEYORJDGNFBJQD-VIZOYTHASA-N	409.344	4.625	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	773506007	RJDSTNUTGIADDE-UHFFFAOYSA-N	423.363	4.880	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c(C)n1CCC(C)C	778219147	WMOWPYSHADYVDA-GRSHGNNSSA-N	422.504	4.721	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	778446963	MIRMRBIJYSWHIU-SFHVURJKSA-N	405.857	4.990	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1ccc(-c2ccccc2)cc1F	784824383	VWTYMDCTQQVPPH-UHFFFAOYSA-N	417.362	4.593	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2ccncc2)cc1)C(=O)NCc1cccc(Cl)c1	786055998	KNWVRBLWBDIQPX-NDENLUEZSA-N	403.869	4.537	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)ccc1OC1CCCC1	787001341	NJWFYDPJCRHUNA-CXDFQFJYSA-N	406.482	4.507	50	20	HJGD	
CC(C)c1cccc(-c2ccc(C(=O)Nc3cccc(NC(=O)NN(C)C)c3)o2)c1	788258403	AHSCIBQDCBYVKM-UHFFFAOYSA-N	406.486	4.920	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)cc1)c1ccccc1	788532317	BVXOENDWQMRCSS-MRXNPFEDSA-N	423.900	4.624	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)NCC)c2C)c1C	790129707	PXXRFEIMRURSNB-UYRXBGFRSA-N	407.518	4.510	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)cnn1-c1ccccc1Cl	790803943	DVMADPUPBATGIA-UHFFFAOYSA-N	424.810	4.744	50	20	HJGD	
COc1ccc(C(=O)NN=C2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC	799466089	QOUJYDYDZOJKTQ-CQSZACIVSA-N	406.404	4.776	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2cc(F)ccc2F)c1C	801068888	MKFXNTQGSBKHTB-YVLHZVERSA-N	400.425	4.516	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(-c2ccccc2C(F)(F)F)o1	803436463	OEUBERPTIOMOFK-UHFFFAOYSA-N	413.355	4.564	50	20	HJGD	
CC1(C(=O)NNc2ccc(Cl)cc2)CCN(c2ccc(Cl)cc2C#N)CC1	807121003	VWYFGEXDNCICAE-UHFFFAOYSA-N	403.313	4.615	50	20	HJGD	
CN(C)c1cccnc1CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	810154063	JMFXSPMLWGQNLJ-HNNXBMFYSA-N	418.872	4.689	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2csc(COc3ccc(C)cc3)n2)cc1	811530757	RKLYOVSNNIGWQK-WOJGMQOQSA-N	420.490	4.690	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1	915846927	BAEVHYNNPSWJRG-QINSGFPZSA-N	424.863	4.918	50	20	HJGD	
CC(CCc1ccccc1)=NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	916322251	MIYNBARFSQYECN-UHFFFAOYSA-N	409.493	4.673	50	20	HJGD	
COc1cc(Br)c(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC	916323785	OUMJNEPMPISFDZ-UHFFFAOYSA-N	419.319	4.528	50	20	HJGD	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNC(=O)CC(C)C	916344314	RNRJGGHOSHWCGE-UHFFFAOYSA-N	401.725	4.696	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N(C)[C@@H](C)c3ccccc3Cl)cc2C1	918002901	ZDJPQFHPQUCJMP-STQMWFEESA-N	405.951	4.574	50	20	HJGD	
Cc1cc(COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c(C)s1	920491593	KRXQOPZSXJRJCY-XDHOZWIPSA-N	416.506	4.793	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1ccc(OC(F)F)cc1OC(F)F	1248509563	RXEQISLQEIKBRY-UHFFFAOYSA-N	420.362	4.735	50	20	HJGD	
C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1)c1ccccc1	1824015108	PDVULGHQLLJPJL-GHTZIAJQSA-N	419.009	4.675	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1	7634963	TWAHISYOJRPRNR-QAEAHILHSA-N	412.873	4.525	50	20	HJGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CCC[C@H](c2nc3ccccc3o2)C1	110529870	GFEICIVIENSXRM-KRWDZBQOSA-N	418.946	4.568	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(SC(F)(F)F)cc2)cc1OC	209220661	CSBYHNJADOTQQA-LCYFTJDESA-N	408.401	4.861	50	20	HJGD	
N#C/C(=C/c1cccnc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	210654584	NDEXLKISBGGYLG-NSIKDUERSA-N	415.305	4.981	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	215193478	XXIUVFHKSLOERF-IUXPMGMMSA-N	418.305	4.577	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1C	302900714	WLZOGZTUFQNMAH-HYARGMPZSA-N	411.505	4.868	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1	727497571	YTPWOIBMCKUXIJ-UHFFFAOYSA-N	405.523	4.772	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc(C#N)n1C	728025770	LNJFCELGWBXYPV-VYVDHXHBSA-N	409.493	4.924	50	20	HJGD	
O=C(CCCc1ccc2c(c1)CC(=O)N2)NNc1c(Cl)cc(Cl)cc1Cl	729296156	JEYXTYAWLVGQIK-UHFFFAOYSA-N	412.704	4.607	50	20	HJGD	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C2CCC2)cc1	731934029	RNHIVMNFQUSGQX-UHFFFAOYSA-N	402.498	4.577	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)c1C	736493972	YBHHQROHNRWTGG-UQRWVXEISA-N	420.557	4.676	50	20	HJGD	
CCCN(CCP(=O)(c1ccccc1)c1ccccc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	740883997	RPPZYSLMUHMVOB-RBZQAINGSA-N	411.526	4.526	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3F)s2)cc1	743372707	LZIVTDHOEIAOAZ-GZTJUZNOSA-N	407.470	4.817	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](C)c2oc3ccccc3c2C)c(Cl)c1	743558031	QMHBUZJEBGBREB-ZDUSSCGKSA-N	400.866	4.800	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	743815610	GIDMQCSAMIRWQT-SFHVURJKSA-N	405.857	4.990	50	20	HJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC)c(OCCCC#N)c2)c1C	747361273	JRFHAUSBHOSZEO-XSFVSMFZSA-N	405.498	4.996	50	20	HJGD	
COc1ccc2[nH]cc(C3=CCN(/C(=C\C#N)c4ccc([N+](=O)[O-])cc4)CC3)c2c1	750037920	DNEDMIUFWJYSNR-NYAPKIOYSA-N	400.438	4.738	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(F)c(F)cc2Br)ccc1Br	750429459	UBQDIAATTYZFPD-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(C#N)c(Cl)c3)c(F)c2)c(F)c1	753303178	IFEFOCABDNZLJE-UHFFFAOYSA-N	413.811	4.922	50	20	HJGD	
CC[C@H](C)Oc1ccc(NC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1	756204649	PHCXECZNNSUABU-INIZCTEOSA-N	423.469	4.502	50	20	HJGD	
COc1cc(/C=C(\C#N)c2ccncn2)ccc1OCCOc1ccccc1Cl	758911589	JWNSSKCJAKWTOL-SFQUDFHCSA-N	407.857	4.661	50	20	HJGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762752526	CUVAQKWIIQNKBN-ZDUSSCGKSA-N	401.401	4.865	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1c(C)nc2scc(C3CC3)n12	764663632	WZFJLTGITBZUFT-UHFFFAOYSA-N	421.551	4.777	50	20	HJGD	
C[C@@H](OC(=O)[C@H](Br)C(C)(C)C)C(=O)Nc1cccc(Cl)c1Cl	766751788	NKDGJHRAAQVKOD-PELKAZGASA-N	411.123	4.673	50	20	HJGD	
COc1ccc(NNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c([N+](=O)[O-])c1	768328933	NBQUNEZFIPJLMS-UHFFFAOYSA-N	424.482	4.523	50	20	HJGD	
CCc1c(C(=O)NNc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1	771425240	ZJEMHYVAJKYEPQ-UHFFFAOYSA-N	408.811	4.864	50	20	HJGD	
CCN(Cc1ccc(C(=O)NNc2ccc(Br)c(F)c2)cc1)C(C)C	771679013	NWRSVCBMDGVYMU-UHFFFAOYSA-N	408.315	4.575	50	20	HJGD	
Cc1ccc(C)c(-n2ncc(C(=O)NNc3ccc(Br)c(C)c3)c2C)c1	772454543	OBMXANRNIADMNQ-UHFFFAOYSA-N	413.319	4.625	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1c(F)cccc1Sc1ccc(Cl)cc1	772641140	QPHDRCVSRMGNTE-UHFFFAOYSA-N	409.273	4.831	50	20	HJGD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	772834413	SBBKFFOMPANBIR-UHFFFAOYSA-N	423.407	4.665	50	20	HJGD	
CN(Cc1cccc(O)c1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772942926	BVCBJSPJLCWIFK-UHFFFAOYSA-N	410.364	4.647	50	20	HJGD	
O=S(=O)(Nc1ccc(OCCO)cc1)c1cccc(S(F)(F)(F)(F)F)c1	777631327	IPHBAAUNZOHKKH-UHFFFAOYSA-N	419.393	4.516	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(C)n(Cc4ccccc4)c3C)c(C)cc2c1	778482392	YSRZRFZSGXLXRE-UHFFFAOYSA-N	414.509	4.775	50	20	HJGD	
CC(C)Sc1cc(Br)ccc1/C=C(/C#N)C(=O)NCc1ccco1	779706956	JSSPORLESSREFA-ZSOIEALJSA-N	405.317	4.766	50	20	HJGD	
CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1	782822087	WZXNZPOBLLEUOQ-GOSISDBHSA-N	403.482	4.672	50	20	HJGD	
Cc1cc(F)cc(NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	783068091	GIQFKSNBMMVGHF-MRXNPFEDSA-N	420.815	4.931	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1csc(-c2cccc(OC)c2)n1)c1ccccc1	787140297	FZTFUILRZJQERY-SARUNTBLSA-N	403.507	4.993	50	20	HJGD	
CCOC(=O)c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)o1	787178131	OBVOWOLFKVQRBQ-LCFDYFRESA-N	407.253	4.547	50	20	HJGD	
O=C(NN=Cc1c(F)cccc1OC(F)(F)F)c1ccc(COc2ccccc2)o1	788976927	KBEDAWSNHWYLFV-UHFFFAOYSA-N	422.334	4.660	50	20	HJGD	
COc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc([N+](=O)[O-])c1C	790103611	PKVRZWZEZFNOBA-UHFFFAOYSA-N	404.637	4.629	50	20	HJGD	
CCCn1c(C)c(C(=O)NNc2ccc(Cl)c(OC)c2)c2cc(OC)ccc21	790171737	LKENCWVCKZTUAO-UHFFFAOYSA-N	401.894	4.787	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C#N)c2cnc3ccccc3n2)cs1	790231583	SNMYDUGEOCHKIH-GDNBJRDFSA-N	415.453	4.974	50	20	HJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1	794931357	LWCBITQGRGJDIW-RIYZIHGNSA-N	402.422	4.862	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	798142094	MDVQNCLTZIGDRV-UHFFFAOYSA-N	418.888	4.621	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCCC[C@@H]2CCSS2)C(C)(C)C1	801512318	INECWQYKKIIKRY-CVEARBPZSA-N	416.653	4.852	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)Nc1ccccc1	801990716	VSRKMOKSPYCIGB-LJQANCHMSA-N	413.449	4.651	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1ccc(Oc2cccc(Br)c2)nc1	808245425	DEZSARKJBVFDNF-UHFFFAOYSA-N	404.091	4.512	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1cc(C(F)(F)F)ccn1	857513578	GTDNJNVTNNEUEX-UHFFFAOYSA-N	420.460	4.948	50	20	HJGD	
COc1cc(CNC(=O)NNc2ccccc2Cl)ccc1OCc1ccccc1	915922836	ITKJIHXZUWGMKF-UHFFFAOYSA-N	411.889	4.754	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1	916605976	YQBYKIHIVHQODB-DBRLUCFCSA-N	416.477	4.776	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1	918713105	KMGCCSBMGWYQBF-MDWZMJQESA-N	413.264	4.938	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(N3CCCCC3)c2)c1C	919863251	HDIPSYNSRVXLIV-MAGMUUGSSA-N	420.557	4.848	50	20	HJGD	
Cc1ccc(OCc2nc(C=NNC(=O)CSc3ccc(C)cc3)cs2)cc1	920365851	BHAQDBKULWYMIZ-UHFFFAOYSA-N	411.552	4.581	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNC(=O)c1ccc(Cl)cc1)oc1ccccc12	920928583	SBDIEZXYEXDRSO-UHFFFAOYSA-N	409.829	4.715	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccc(OC(F)(F)F)cc1)c(C)n2C1CC1	1331675870	MBPLVHLOVLZSSN-UHFFFAOYSA-N	419.403	4.949	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1	1786262784	YZCOCDFBGUVARK-SFHVURJKSA-N	421.379	4.874	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)c3ccccc3)cc2)CCC1	1790212953	KENZDBPGZVQOQE-SFHVURJKSA-N	415.331	4.608	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2csc(-c3ccccn3)n2)c(C)n1CC(C)C	12476942	RALGUTLRTMRAGH-VXLYETTFSA-N	420.538	4.930	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)C(C)C)c(C)n1C[C@@H]1CCCO1	26796750	AMJWZSPLKJXQML-OCVSAFOWSA-N	405.542	4.704	50	20	HJGD	
CC(=O)N(CCC(=O)NNc1c(Cl)cc(Cl)cc1Cl)Cc1ccccc1	303111607	KJMIVWPTQGWNTR-UHFFFAOYSA-N	414.720	4.529	50	20	HJGD	
O=C(CCCOc1ccccc1Br)NNc1cccc(C(F)(F)F)c1	727759242	UEVDWNZNGUVDFU-UHFFFAOYSA-N	417.225	4.770	50	20	HJGD	
COCCSc1ccc([C@@H](C)NC(=O)NNc2ccccc2C(F)(F)F)cc1	729054675	FYWINZGUWMSDHM-CYBMUJFWSA-N	413.465	4.831	50	20	HJGD	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NNC(=O)c1ccc(Cl)cc1Cl	729838278	SYKYEGBLQQEJLV-YKWSONSWSA-N	407.297	4.645	50	20	HJGD	
CCN(Cc1ccc(C(=O)NNc2ccc(Br)c(C)c2)cc1)C(C)C	734251504	RUZLQCXBPXZUTP-UHFFFAOYSA-N	404.352	4.745	50	20	HJGD	
COC1CCC(N(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)CC1	734351840	LIZGERVANWBFHQ-QNGOZBTKSA-N	405.542	4.726	50	20	HJGD	
CCCCC[C@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)C(C)(C)C	743615423	HCAKNXFFYUFQHF-HNNXBMFYSA-N	400.470	4.619	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(OCc3cccc(F)c3)cc2)o1	746490393	DDBRDCFLVQTDIL-UHFFFAOYSA-N	423.488	4.603	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1	747982719	ADAYNRRXHQGMNK-UHFFFAOYSA-N	423.879	4.802	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1	748650836	VCJUXUGAEDNBNB-UHFFFAOYSA-N	420.419	4.898	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)NNc1ccccc1[N+](=O)[O-]	748696939	DCGODDQFEYBREG-UHFFFAOYSA-N	422.441	4.852	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)c2)cc1	748730397	NIKXOHNQHYNLBH-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
Cc1ccc(NNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1	749201130	WVDVNLVXAFDLCA-NOZRDPDXSA-N	413.521	4.618	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C[C@@H]2OCCc3ccccc32)c1C	750813641	QRGCJTHKLWQIDZ-NLZIUFDSSA-N	405.542	4.584	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	751579244	OGERRIKXSFPDDZ-PNWWAVQQSA-N	405.473	4.694	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(C#N)c(Cl)c2)c1	753322881	PPBPYHZSBDBLFV-UHFFFAOYSA-N	405.285	4.607	50	20	HJGD	
CCCc1c(C(=O)NNC(=S)Nc2ccccc2C(C)C)cnn1-c1ccccc1	753434876	NKEAQWCKXLKZJG-UHFFFAOYSA-N	421.570	4.580	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(SC(C)(C)C)cc2)c2ccccc2n1	756320677	OOAUPVYPVKATGF-UHFFFAOYSA-N	408.527	4.900	50	20	HJGD	
O=C(NN=Cc1cccc(Cl)c1F)c1cc(-c2ccncc2)nc2ccccc12	759647137	VSBYOMDIFCDXQM-UHFFFAOYSA-N	404.832	4.853	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)c1	759653901	WNPDRUYTOICKHZ-GZTJUZNOSA-N	412.497	4.958	50	20	HJGD	
C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)CCCC[C@@H]1CCSS1	761247935	FDOYKLLKWPOGES-MXKPZRPRSA-N	406.661	4.973	50	20	HJGD	
CCOCCOc1c(Cl)cccc1NC(=O)NNc1nc2ccccc2s1	769985175	GAWOTZWQESQDBJ-UHFFFAOYSA-N	406.895	4.514	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNc2ccnc(Br)c2)cc1OC	771551244	HSLQDPAJJVBOKT-UHFFFAOYSA-N	422.323	4.569	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2cncnc2)cc1F	773762302	XJCGGGYTQDDFGO-UHFFFAOYSA-N	411.651	5.000	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)cn1)c1cccc(C(=O)c2ccccc2)c1	775254041	HHURTCXQYHJIMK-CQSZACIVSA-N	413.399	4.578	50	20	HJGD	
Cc1cccc(NC(=O)NNc2c(Cl)cccc2Cl)c1C(=O)N1CCCC1	775496290	FRDFSUGOGXCKIS-UHFFFAOYSA-N	407.301	4.686	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(Br)cc1C(F)(F)F	776475070	GKYGQPNOVKHPDK-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	776622921	NYUCEZBIDUJLPV-AQTBWJFISA-N	412.449	4.890	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC3(CC2)OCCc2ccsc23)c1C	778956738	QFBSFHVYLHNDMJ-QNGOZBTKSA-N	423.582	4.574	50	20	HJGD	
COc1csc(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	783460383	AJRUBSSDUYRUTO-UHFFFAOYSA-N	423.406	4.533	50	20	HJGD	
COc1ccc2c(c1)CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@H](c1ccccc1)C2	787422858	AICFOOLTSILKHD-WSLHLDTKSA-N	410.473	4.634	50	20	HJGD	
CS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	800556264	IAJKDMRURFGAPG-GFCCVEGCSA-N	422.441	4.775	50	20	HJGD	
COCCCn1nccc1/C=C(/C#N)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	801647111	CDQHBTJHWPAKTP-JXAWBTAJSA-N	422.916	4.770	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1c(-c2ccc(C(F)(F)F)cc2)noc1C	805376783	IZHQRRBNOFCOKD-UHFFFAOYSA-N	420.347	4.642	50	20	HJGD	
C[C@@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)[C@@H](O)c1ccccc1	808340569	OQIORMXJABWEND-IAQYHMDHSA-N	417.421	4.744	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/C(C)=C/c2ccccc2OC(F)F)cc1OC	811685959	IPFCRHCQLRRMSI-LRHSVYTJSA-N	414.408	4.797	50	20	HJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1cccc2cccnc12	818196818	BPCYJKNFORNJEX-UHFFFAOYSA-N	402.281	4.851	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)/C=C\c2nc3ccccc3s2)cc1	913502110	KJORIRTWQQMHDQ-YPKPFQOOSA-N	410.568	4.670	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3nnc(C(C)(C)C)o3)c2C)cc1	914892727	HPAQOBZCUNZZPY-UNOMPAQXSA-N	418.497	4.733	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2c(C(C)C)nn(C)c2Cl)cc1	915984072	HDJFYUBXWAPHFF-WJDWOHSUSA-N	422.920	4.545	50	20	HJGD	
O=C(NN=Cc1ccccc1N1CCCCC1)c1ccc(COc2ccccc2)o1	916360443	SSZGJZRHMWNVGI-UHFFFAOYSA-N	403.482	4.613	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1	916568937	PDYANUZVMRTWMP-HMAPJEAMSA-N	422.488	4.723	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c(C)o1	934167887	CYEQRAFPHTWJFH-UHFFFAOYSA-N	412.511	4.610	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3scnc3CC)CCC2)cc1	1786446779	ISRZHXDXECBGIN-MRXNPFEDSA-N	419.978	4.861	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccoc3)cc2)CCC1	1786746984	DFCAMSPIPJJCLL-RUDMXATFSA-N	400.906	4.692	50	20	HJGD	
Cc1cc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)cc1F	1788588123	GACNZSSEHRVXBV-KRWDZBQOSA-N	410.823	4.555	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncccc4c3)cc2)CCC1	1788907733	KRYZGVMSDYZTRF-FQEVSTJZSA-N	421.928	5.000	50	20	HJGD	
C[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)CCBr)CCC3)cc2)CC1	1791968979	YWBSLISHIUDLLE-WKILWMFISA-N	421.379	4.732	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccccc3)CCCC1)C2	1793677352	KXULCYAQMADNPP-WOZUAGRISA-N	416.993	4.544	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2cccs2)n[nH]1	1814412774	BPUOTJDVZAMHDV-SADTYBKJSA-N	420.966	4.584	50	20	HJGD	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](Cl)CCC)n[nH]1	1815315344	WSAZVUWOAYKJHD-RDJZCZTQSA-N	408.974	4.802	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccs2)[nH]n1	1815317360	RZXQNBJVUQKEPO-DOTOQJQBSA-N	422.982	4.504	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2F)CC1	1830552624	RQLBKQBHCFGXHW-FPOVZHCZSA-N	422.972	4.775	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2C)CC1	1831521364	CRIKQKKDRGZHMY-FGZHOGPDSA-N	419.009	4.565	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cc(C2CC2)nc2ccccc12	7258228	ZRYQBNPSOKKAHC-UHFFFAOYSA-N	404.539	4.614	50	20	HJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1)O[C@@H](C)C2	23100937	ORCIBKQHXHCLPL-AAWHYMEISA-N	416.449	4.879	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)C(=O)NCc1ccccc1	23723670	UTJMAEZOHOMTBX-DEDYPNTBSA-N	415.880	4.816	50	20	HJGD	
Cc1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	23973789	SRZGSLZWLRPSHT-CIPMJJFUSA-N	407.514	4.547	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1	303386259	MQSAPRDSJQLZAV-XYOKQWHBSA-N	414.803	4.516	50	20	HJGD	
C=C(C)COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)c1	727330823	VUCSSFWBHQMGOH-PGNNWUFWSA-N	407.514	4.813	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C(=O)O)c1)C(=O)Nc1ccc(F)cc1	731563868	XARCLRRSKMRZIX-LDADJPATSA-N	416.408	4.649	50	20	HJGD	
N#C/C(=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1nc(-c2ccccc2)no1	731938746	RTLAUWDULVRWMW-XNTDXEJSSA-N	418.254	4.953	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(N(CC)CC)c(F)c1	739426863	NRIGKEJKHQMLLK-BOPFTXTBSA-N	411.477	4.583	50	20	HJGD	
CCCN(CCP(=O)(c1ccccc1)c1ccccc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	740883999	RPPZYSLMUHMVOB-VXNXHJTFSA-N	411.526	4.526	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)c1C	742012092	HTTFUVSRMIFYCE-IBDRQXQLSA-N	407.558	4.584	50	20	HJGD	
C/C(=C/C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	742481867	BWYXQYGUXFLHDI-YFHOEESVSA-N	417.214	4.877	50	20	HJGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1sc2ccccc2c1Cl	747988246	PFDBROXYPHPENJ-UHFFFAOYSA-N	421.913	4.652	50	20	HJGD	
Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NNc1ccc(F)c(F)c1F	748219838	JJJDMAIOUBSETP-UHFFFAOYSA-N	423.778	4.668	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C2SCCCS2)cc1	748716681	RGJBRZVGLQHNPU-UHFFFAOYSA-N	409.920	4.874	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cccc4cnccc34)c3c(C)noc3n2)c(C)o1	748754254	LSKGNJMRDWVLLW-UHFFFAOYSA-N	413.437	4.713	50	20	HJGD	
CCN(C)C[C@H]1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	749225634	NVPFKMWMYZRIHQ-IUODEOHRSA-N	409.905	4.711	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCC(F)(F)F	750895839	JYNITYSYYYSAOD-CXUHLZMHSA-N	404.388	4.799	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H](N2CCCC2=O)C1	752979946	QDCMBZIGVVFFGE-ZDUSSCGKSA-N	413.412	4.963	50	20	HJGD	
CC(CC1CCOCC1)=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	757560884	QLPZRKMQAZDXOA-UHFFFAOYSA-N	405.473	4.963	50	20	HJGD	
CC(C)Sc1ccccc1NC(=O)NNC(=O)CCSc1ccc(F)cc1	757682453	LCMGEVUCFYYOAH-UHFFFAOYSA-N	407.536	4.661	50	20	HJGD	
O=C(NN=Cc1c(F)ccc(C2OCCO2)c1Cl)c1c(Cl)cccc1Cl	761807447	IYZVSRXWHAZWDC-UHFFFAOYSA-N	417.651	4.595	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(-c2ccccc2)nn1)c1cccc(C(=O)c2ccccc2)c1	762259863	CYFAMWNWYZNDOU-GOSISDBHSA-N	422.488	4.621	50	20	HJGD	
Cn1c(CC(=O)NN=Cc2c(Cl)cccc2Oc2ccccc2)nc2ccccc21	769568890	NCLRDZPMNHPQEZ-UHFFFAOYSA-N	418.884	4.712	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1	775692872	HJBQSBMFBLBQSP-UHFFFAOYSA-N	424.675	4.750	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(Cl)c(NC(=O)c2cccs2)c1	777463959	ZTQUHYJXBHUBOS-UHFFFAOYSA-N	422.897	4.959	50	20	HJGD	
C[C@H]1CCCCN1[C@@H](C)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777879228	GEIZDVKHPKUFQN-STQMWFEESA-N	422.485	4.885	50	20	HJGD	
CN(Cc1cccc(O)c1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777958170	KMTNMJCZPRKWFY-UHFFFAOYSA-N	403.394	4.870	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)o1	780515678	IIFJKZBVJRHERO-UHFFFAOYSA-N	412.799	4.517	50	20	HJGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNc2ccc(Br)cc2C(F)(F)F)C1(C)C	780639048	FPYQUHYNMGWGTN-ONGXEEELSA-N	421.257	4.552	50	20	HJGD	
Cn1ccnc1[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1	780816287	BOIDUFMZAAMGRV-LJQANCHMSA-N	411.937	4.787	50	20	HJGD	
CCC1(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CCOCC1	781113757	GXSQTXXWVHUJFM-UHFFFAOYSA-N	422.554	4.778	50	20	HJGD	
O=C(Nc1cnc(-c2ccccc2)s1)C(=O)NN(c1ccccc1)c1ccccc1	782822190	SBBYQQWNWRXFAP-UHFFFAOYSA-N	414.490	4.618	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(/C#N)C(=O)c3ccc(Cl)s3)cnc12	783713816	AFESUAWENRDQDD-YHYXMXQVSA-N	406.692	4.910	50	20	HJGD	
C#CCOc1cccc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	784623105	QJKXCSXIWNOZDQ-UHFFFAOYSA-N	420.359	4.933	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2n1CC(F)(F)F	787017410	ZUXYWMMZTDWLEY-UHFFFAOYSA-N	412.755	4.522	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1	787389969	DTURDTNFUZVJSR-BOPFTXTBSA-N	406.388	4.686	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCC3(C)C)s2)cc1	789039366	YRWIMCMJQDZNKY-UHFFFAOYSA-N	406.602	4.523	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cccc(C(F)F)c2)c(C)n1C[C@@H]1CCCO1	791759868	DVABLTMTHYBKQQ-IQKNENRKSA-N	414.452	4.872	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NNc1cc(Cl)cc(Cl)c1	792440738	DQEKXTLEJIVRGT-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(Cl)cc2)c1Cl	792633207	BOSPIQANLPONLP-MHWRWJLKSA-N	412.342	4.626	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc4occc4c3)cc2)n1	794860743	PYDIDCLGINUHTL-UHFFFAOYSA-N	416.506	4.896	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	797668078	YRSBRDJKGXCEBD-UHFFFAOYSA-N	423.376	4.886	50	20	HJGD	
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	797842272	XEKOFLHPYBGYNQ-BXUZGUMPSA-N	407.426	4.604	50	20	HJGD	
O=C(NNc1cccc(F)n1)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	806271472	ZVUWWGURAGUCRW-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2)c([N+](=O)[O-])cc1OCc1ccccc1	806557105	MJLKCEKOQLQKDA-NVMNQCDNSA-N	404.378	4.565	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ccc(F)cc3F)cc(-c3cccs3)nc21	809704639	DNOWHHVCTSOXEF-UHFFFAOYSA-N	413.453	4.776	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@H](c1c(Cl)cccc1Cl)C1CC1	812498161	JQTXJKWSJNQXFT-SFHVURJKSA-N	417.296	4.612	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccncc1	912794891	YHOLDOPGLFXVJJ-UHFFFAOYSA-N	417.509	4.731	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2cn(CC)c3ccccc23)cc(OCC)c1OCC	915048542	HFZHVRSBZCAOBV-UHFFFAOYSA-N	423.513	4.621	50	20	HJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	915842971	CPHIPFGJISTFAX-MLJKTZRHSA-N	416.817	4.526	50	20	HJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)Cn1c(CC)nc2ccccc21	917212699	WRIPKPFEVHUJLU-UHFFFAOYSA-N	402.498	4.838	50	20	HJGD	
O=C(NNC(=S)Nc1ccccc1Oc1ccccc1)c1c[nH]c2ccccc12	917570073	JVLVTBKCBBVLHZ-UHFFFAOYSA-N	402.479	4.592	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(-n3ccnc3)c(F)c2)c(C)n1CC(C)C	919750853	BVALIGHKFIHNME-VXLYETTFSA-N	405.477	4.631	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3nnc(C(F)F)s3)c2C)c1	920229376	QDKNEJIATPIQJX-OQLLNIDSSA-N	413.453	4.737	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)[C@@H](C#N)c2nccn2Cc2ccccc2)c1C	1122706564	KQSWFUIBCNVJQO-CLMUKVTESA-N	411.509	4.543	50	20	HJGD	
Cc1nc(N2CCCCC2)sc1C=NNC(=O)c1cc2c(s1)CCCCC2	1317712802	RSKJKEQWTNVECI-UHFFFAOYSA-N	402.589	4.536	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H]3CCCCC3(F)F)cc2)CCC1)C(Cl)Cl	1786464503	CCSUUDWEAJMRQY-CQSZACIVSA-N	419.299	4.750	50	20	HJGD	
CC(C)C(=O)Nc1ccc(C2(NC(=O)/C(C#N)=C/c3ccc(F)cc3F)CCC2)cc1	1787640977	GYFNBOLIBIPTBT-SFQUDFHCSA-N	423.463	4.662	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccnc2ccccc12	1788584173	NFCZFTYDNVUWBL-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)[C@H](C)CC)C2	1793680360	VQIJWHJIHJDGIL-FKOZLKKJSA-N	419.009	4.862	50	20	HJGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl)[C@H](F)Cl	1800011088	WOYIGBLYJLETMK-ZMMAXQRCSA-N	423.400	4.909	50	20	HJGD	
Cc1cc(F)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c1	1824013992	DFJHRGVSZPYZIK-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2C)CC1	1824612299	WZDPRKYWFNIRPB-MSOLQXFVSA-N	411.011	4.697	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2C)CC1	1824614428	BVEKDVUQNULFGD-LEWJYISDSA-N	419.009	4.944	50	20	HJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c1	110402059	BVSWAGCVLQWONG-VBKFSLOCSA-N	410.271	4.677	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(-c2ccc3c(c2)OCCO3)s1	301218739	SLILLQXQOOZACG-UHFFFAOYSA-N	420.412	4.962	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl	727791789	WORYZRQAFQDPFL-MRVPVSSYSA-N	406.096	4.865	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1	732153484	CYFKMCPCHHZDRJ-QGOAFFKASA-N	405.498	4.924	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	733206274	FLWJGIQTOVYNMT-NTUHNPAUSA-N	408.351	4.756	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	734304440	JMLPHDRCPUTDCD-LDADJPATSA-N	403.463	4.855	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nnc(-c3cccc(F)c3)o2)c(C)n1CC(C)C	744498987	DJRLDYVOFQLPST-OCKHKDLRSA-N	422.460	4.600	50	20	HJGD	
CC(C)(C)Cc1nc(-c2cccc(C(=O)NNc3ccc(Cl)c(F)c3)c2)no1	746695399	CKRNQUIFXZCDAO-UHFFFAOYSA-N	402.857	4.875	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3cccc4cnccc34)c(F)c2)c(F)c1	748762950	KRMLTBLQNHQJSX-UHFFFAOYSA-N	405.404	4.946	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccccc1	750660274	AYEVNPJBSMNYJJ-FABDANFUSA-N	412.445	4.537	50	20	HJGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl	753887820	NPZVZQBHXRPWLI-QPEQYQDCSA-N	404.253	4.506	50	20	HJGD	
COc1ccccc1SCC(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	761274530	USTCQEAURRTBBB-UHFFFAOYSA-N	417.943	4.715	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H](C2OCCO2)C1	762978646	BHSHHXMDKZZAHQ-NSHDSACASA-N	402.385	4.961	50	20	HJGD	
C[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1cccc(-n2cccn2)c1	775428774	FODBZTAGWZEACL-NRFANRHFSA-N	415.477	4.537	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(NC(=O)C2CCCCC2)c1	775664459	YIFHAMWPORRENV-UHFFFAOYSA-N	403.486	4.902	50	20	HJGD	
Cc1cc(Cl)c(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1C	781426432	OFQUBOFZAPWSTQ-UHFFFAOYSA-N	421.810	4.585	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1cc(Cl)ccc1Oc1cccc(Cl)c1	781833567	KPSXMTMVNCPNHP-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1OC	787152195	WHBHSBSYADCZLK-LCJWNIEWSA-N	408.498	4.667	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)nc(Cl)c2)c1C	787939554	RXXQKBRYYGMFHB-FVTUNSQFSA-N	407.301	4.560	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNc2cc(Cl)cc(Cl)c2)c1C	791719435	XQRNAPVIYNJPFB-UDRREKMYSA-N	421.328	4.669	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1cccc([N+](=O)[O-])c1C	797746355	WUXLZKVZYBLCJQ-UHFFFAOYSA-N	421.240	4.930	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cccc(NC(=O)C2CCCCC2)c1	798143041	FOMYLYFKWUNQOG-UHFFFAOYSA-N	415.925	4.529	50	20	HJGD	
CCn1ncc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1C(F)(F)F	798542890	LIEVYSSKVBRLQL-YVLHZVERSA-N	421.467	4.932	50	20	HJGD	
O=C(NNc1cc([N+](=O)[O-])ccc1Br)c1ccc(-c2ccccc2F)o1	800620089	WVWRQCNAIVSXTA-UHFFFAOYSA-N	420.194	4.513	50	20	HJGD	
CC(C)Oc1ccccc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211330	PDOYZVQAGGFEBF-UHFFFAOYSA-N	416.403	4.707	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc([N+](=O)[O-])cc3C)c3ccccc3n2)o1	805381348	ODHCHQVLRHSPCZ-UHFFFAOYSA-N	402.410	4.777	50	20	HJGD	
CC(=C\c1ccccc1OC(F)F)/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2	811687213	MAGRTJQQPWXPQH-LRHSVYTJSA-N	412.392	4.551	50	20	HJGD	
CC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	913252334	GYGRQWXFHLSWAM-GFHWABCWSA-N	404.388	4.541	50	20	HJGD	
CCc1ccccc1OCC(=O)NN=Cc1c(C(C)C)nn(-c2ccccc2)c1Cl	914559181	BRIJXPNDGNDANS-UHFFFAOYSA-N	424.932	4.741	50	20	HJGD	
N#C/C(=C/c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(Cl)c1	915848713	PFVAHVJPOSGXPT-YHYXMXQVSA-N	424.613	4.695	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2c2cccnc12)c1ccc(Cl)cc1Cl	916146332	ARPROLVGIOAWIR-UHFFFAOYSA-N	410.260	4.770	50	20	HJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1ccc2ncccc2c1	916255026	WSPGFFDHPDYSOV-UHFFFAOYSA-N	402.281	4.851	50	20	HJGD	
CC(CCc1ccc(O)cc1)=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	916272804	GNFBUQGQKNZWMH-UHFFFAOYSA-N	418.522	4.840	50	20	HJGD	
N#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3c(F)cccc3Cl)cc2)cc1	916304812	PFRLPWDRCYDBJV-UHFFFAOYSA-N	407.832	4.547	50	20	HJGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	920437360	SFINQWDUSROUCC-WDEREUQCSA-N	407.889	4.893	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)c(F)c1)c1cc(-c2ccncc2)nc2ccccc12	921252018	XIMJCLOEOKYODB-UHFFFAOYSA-N	404.832	4.853	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2nc(N)c3ccccc3n2)ccc1OCC(F)(F)F	1251444072	RWWUCIRPBCYUDO-ZROIWOOFSA-N	414.387	4.616	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2ccnc(Br)c2)c1	1338226015	MERQAAZSKVBICN-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
C[C@H](Sc1ccccc1)C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788582166	CNECDLGMMYFSSO-KSSFIOAISA-N	420.937	4.836	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CCC1	1790299591	KRUNJYQXIMSDSV-HXUWFJFHSA-N	414.933	4.850	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCc4ccoc4C3)CCC2)cc1	1790484078	CSYNTBLYTXSXHZ-QFBILLFUSA-N	414.933	4.536	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3F)cc2)CCC1	1792228102	GRWCRLWUNVXIGH-GOSISDBHSA-N	420.887	4.659	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc(C#N)n1C	10957164	LJUYVMSFNCKGAH-WSDLNYQXSA-N	415.493	4.586	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(/C#N)c1nnc2n1CCCCC2	95949623	OOSUPABXKSVQIM-KAMYIIQDSA-N	413.312	4.870	50	20	HJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1nc(-c2ccccc2)no1	728079997	UZVDBYWETBLNGE-UHFFFAOYSA-N	406.467	4.621	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cnc(C2CC2)s1	731477938	SREUUJQKPFAAJL-UHFFFAOYSA-N	406.227	4.559	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1	731931700	NVWYJKGPCHSPTB-QHCPKHFHSA-N	409.493	4.578	50	20	HJGD	
CC(C)(CCCc1ccccc1)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	732952395	VGWSFUYVKNIWDY-UHFFFAOYSA-N	420.509	4.669	50	20	HJGD	
C[C@@H](NC1(CNC(=O)CCCC[C@H]2CCSS2)CCOCC1)c1ccccc1	733288535	DCHAFEJEDKPWKE-QUCCMNQESA-N	422.660	4.717	50	20	HJGD	
COc1ccc([C@H](CNC(=O)NNc2ccccc2)c2c[nH]c3ccccc23)cc1	734264668	LDCMQESSKRNSBP-NRFANRHFSA-N	400.482	4.635	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cs1)C1CC1	734306840	UALMMMVVRCSICV-IZZDOVSWSA-N	421.309	4.511	50	20	HJGD	
N#Cc1cccc(OCc2cccc(C(=O)NNc3ccc(Br)cc3)c2)c1	734547246	LTFMTGBLGCVFCS-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c3nccs3)c2C)c1	734805258	MDUQEZICRHORIF-CPNJWEJPSA-N	404.539	4.818	50	20	HJGD	
COc1ccc(C(=O)NN=C2CCC[C@@H]2Cc2ccccc2)cc1Br	735615581	PBMNCLYSATZUHY-OAHLLOKOSA-N	401.304	4.586	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3nn(C(C)C)cc3c2)c1C	736117603	ZZWXIWHGSAPLLJ-GTNUZRKBSA-N	419.529	4.789	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2c2ncon2)c(C)n1C1CCCCC1	737615166	GDVQCQBGGHMVGM-UBXANZILSA-N	407.518	4.654	50	20	HJGD	
O=C(NN=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc2ccccc12	741463050	WHFGMRWIGGGCHO-UHFFFAOYSA-N	402.435	4.635	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C3CCCCC3)[nH]n2)c1C	743455945	BEQVIEGQLNQQLU-VBNMEBLOSA-N	409.534	4.629	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1c(-c2ccccc2)nc2ccccn12	744729578	ZYDUDMCDWMAZIY-UHFFFAOYSA-N	420.925	4.897	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2OCc2cccc(Br)c2)cc1	748100878	GJYRSUKJHVLBQB-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
CCOc1ccc(-c2nc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)cs2)cc1	748710269	PEORSBPVRIKYRX-UHFFFAOYSA-N	418.862	4.527	50	20	HJGD	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NNC(=O)c1cc2ccccc2o1	750285263	ZWMJMYTZWZIQQG-NSHDSACASA-N	406.269	4.787	50	20	HJGD	
COc1c(C(=O)NNc2cc(Cl)ccc2Cl)sc(C)c1Br	752813059	PDOJOIHGBXPTJS-UHFFFAOYSA-N	410.120	4.891	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1	754131877	ZBRSHTFWZZFYKL-OBGWFSINSA-N	410.901	4.716	50	20	HJGD	
O=C(NNc1cccnn1)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1	756204467	BGSMXNQHEXTMMJ-UHFFFAOYSA-N	408.380	4.543	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(Br)c(F)cc1F	758009510	AIJCIFQAEKZFEK-UHFFFAOYSA-N	414.008	4.930	50	20	HJGD	
COc1ccc(C[C@H](C)CN(C)CCP(=O)(c2ccccc2)c2ccccc2)cc1	761740796	RTPCSFYNQLEPDH-QFIPXVFZSA-N	421.521	4.820	50	20	HJGD	
Cc1cc2cc(NC(=O)C(=O)NNc3c(Cl)cc(Cl)cc3Cl)ccc2[nH]1	766262267	SPSBNUVIJODZLI-UHFFFAOYSA-N	411.676	4.518	50	20	HJGD	
COC(=O)C[C@]1(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCOC1	771194355	NRLPMHLEKGSRNU-OAHLLOKOSA-N	418.384	4.578	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(C2CC2)nc2ccccc12	771681303	ARJKKBMZAYQOEK-UHFFFAOYSA-N	400.251	4.771	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1C	772147576	GHYDRNFPEHCLPU-HQOKVJKCSA-N	420.513	4.517	50	20	HJGD	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NNc3ccc4ccccc4n3)ccc21	777463939	YTSQVQJZBZKZFS-UHFFFAOYSA-N	413.403	4.941	50	20	HJGD	
O=S(=O)(NC[C@H](O)C1CCCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	782981457	PQDIQNNXNCHDOI-AWEZNQCLSA-N	409.442	4.564	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1ccc2oc3ccccc3c2c1	784823230	GGKJSBCYXHQQRO-UHFFFAOYSA-N	413.355	4.687	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	787156317	XPXCTSNCDHORGE-VUODPORTSA-N	417.421	4.648	50	20	HJGD	
COc1cccc([C@@H](C)CCCC(=O)NNC(=S)Nc2cccc(Cl)c2)c1	788720086	JTZMGPQWUYAVAW-AWEZNQCLSA-N	405.951	4.640	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	791149567	HQKJDKAOMVPBAY-CHWSQXEVSA-N	412.446	4.537	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)[C@@H](C#N)c2cnc3ccccc3n2)c(C)n1CCC(C)C	792101646	BPGHRMXLYAKZRB-OCBOALCKSA-N	411.509	4.878	50	20	HJGD	
N#C/C(=C/c1cscc1Br)C(=O)Nc1ccccc1Br	794689536	BSXZUEZNGJIEPA-UITAMQMPSA-N	412.106	4.819	50	20	HJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	794873170	QFSKXQOYGJTZQC-AUWJEWJLSA-N	413.405	4.705	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N(CCc1ccccn1)Cc1cccnc1	797699830	HQLRBONAEVGDEH-FQEVSTJZSA-N	401.601	4.762	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(I)cc1Cl	799754129	CBCYPFFWSBHWMN-UHFFFAOYSA-N	414.674	4.572	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cnn(-c2cccc(Br)c2)c1C	799755450	KUUFCVRGRCBAMY-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl	799758031	UDBXWUNIUJDGBK-UHFFFAOYSA-N	402.926	4.888	50	20	HJGD	
O=C(NNc1cc([N+](=O)[O-])ccc1Br)c1cc(F)c(Cl)cc1Cl	800619157	KFGLYYLNXHDUNW-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
Cc1c(Cl)cccc1C(=O)NNc1c(Br)cccc1Br	801500718	VKHKTDWPBXUXDA-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
CSCc1ccc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1	804209642	IETCVVGVYAWSEM-UHFFFAOYSA-N	418.444	4.782	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCC(F)F	809146136	MLGAHGDVHFRLQD-CAOOACKPSA-N	401.409	4.754	50	20	HJGD	
COCCOCc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	809153575	YCKYJBFUXJHMLR-ATVHPVEESA-N	421.522	4.503	50	20	HJGD	
Cc1cnc([C@@H](NC(=O)NNc2ccc(Br)cc2Cl)C2CC2)s1	812059612	MACFOEMQEXSSTA-ZDUSSCGKSA-N	415.744	4.645	50	20	HJGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)c1nc2ccccc2n1C(F)F	812435380	HGVYOHKTMPUCDB-UHFFFAOYSA-N	406.433	4.593	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1	813049726	NQPFCHWFHWHKHI-UHFFFAOYSA-N	408.546	4.581	50	20	HJGD	
O=S(=O)(NCCCCCN1CCCC1)c1cccc(S(F)(F)(F)(F)F)c1	815070205	MSLXBYIYHXXTTQ-UHFFFAOYSA-N	422.485	4.888	50	20	HJGD	
N#C/C(=C\c1ccc(-n2cncn2)cc1)C(=O)Nc1ccccc1Oc1ccccc1	844153015	VNVMWXIKRSWYCD-XMHGGMMESA-N	407.433	4.605	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cc(C)cc(C)c2)cc1	857502526	LSKJSJKQFAAGIL-UHFFFAOYSA-N	412.493	4.922	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(C)n1C[C@@H]1CCCO1	915177164	TVWLUJQIDXBOIR-ALMQKBMCSA-N	409.574	4.618	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(\C#N)C(=O)Nc1ccccc1Cl	915983720	GYTLPTOGQBCZRR-NTEUORMPSA-N	412.827	4.966	50	20	HJGD	
COc1ccc(-c2nc(COC(=O)/C(C#N)=C/c3ccc(C)cc3)cs2)c(OC)c1	916612253	JASBPIHJCGDEKY-LICLKQGHSA-N	420.490	4.786	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CCc2ccccc2)C(C)C)c1C	1115834756	QVNCFWREQUEHTH-ORQKMDSUSA-N	407.558	4.699	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1	1786011112	ZURDFVRHFVKZDK-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2)c(C)n1CCC(C)C	211244335	ZHGWACLHGFVMHA-BJLUOBIUSA-N	407.514	4.628	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C(=O)NNc3cccc(C(F)(F)F)c3)c2Cl)cc1	301219063	WYULLZAJLVBVBS-UHFFFAOYSA-N	422.838	4.977	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc(C(=O)Nc2ccccn2)c1	725718700	XZFKPXMOJJUVKW-KRWDZBQOSA-N	401.557	4.987	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc(N(C)c2ccccc2)nc1	727172350	ZLCBTLUPNVOASK-UHFFFAOYSA-N	419.554	4.604	50	20	HJGD	
Cn1c2ccccc2c2cc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)sc21	727794945	XWKMWCRZGIRFJI-UHFFFAOYSA-N	418.305	4.775	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1csc(-c2ccc3c(c2)OCO3)n1	728438529	ZFQCELJOLYJMBA-PXNMLYILSA-N	403.463	4.701	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](C)c2ccc(SC(C)C)cc2)c2ccccc2n1	729053861	DWWSQXNXTGEDDQ-MRXNPFEDSA-N	422.554	4.749	50	20	HJGD	
N#Cc1cccc(OCc2ccoc2C(=O)NNc2ccnc3cc(Cl)ccc23)c1	729515361	XWNRKPMBNCLLOB-UHFFFAOYSA-N	418.840	4.689	50	20	HJGD	
C[C@H]1CCCCN1C[C@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	733796049	ZKPAGIHYYZHWLM-ZEQRLZLVSA-N	424.569	4.587	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1cc2sc(Nc3ccccc3)nc2s1	734247551	PALWSHQXVCWMIH-UHFFFAOYSA-N	401.904	4.907	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNC(=O)c1cccc2ccccc12	741572584	CBCBWPPDUUUZCK-UHFFFAOYSA-N	419.868	4.542	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)ccc1OC(C)C	741620884	XWIJOKIGCZPAEH-FJWZAKCXSA-N	421.541	4.925	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	741739647	BFGJCYOTSUREQP-DUBROFONSA-N	424.526	4.604	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNc3ccc(OCC(F)(F)F)cc3)c2)cs1	748701655	RXRYIHHQWCPWLD-UHFFFAOYSA-N	407.417	4.817	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Oc2ccccc2Cl)nc1	748716459	GGSMJEGUNPYTAX-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
Cc1ccc(C(=O)NNc2cccc3cnccc23)cc1NC(=O)c1ccccc1F	748773319	KVFCWIKFWMKEPJ-UHFFFAOYSA-N	414.440	4.692	50	20	HJGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)[nH]1	751513973	UKUZSBBYQBVNAR-GZTJUZNOSA-N	421.884	4.711	50	20	HJGD	
O=C(O)c1csc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762457832	WBBWGAXANFBNPZ-UHFFFAOYSA-N	409.379	4.905	50	20	HJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	763175432	PQWZPZQTZTXQEN-WZUFQYTHSA-N	417.657	4.893	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)OCc1csc(COc2ccc(F)cc2)n1	766752825	UNKPBJQOEMTBBJ-OAHLLOKOSA-N	416.312	4.714	50	20	HJGD	
CCCc1c(C(=O)NNc2ncc(Cl)cc2Cl)cnn1-c1cccc(C)c1	768216770	SQWVTHGYSHSCBS-UHFFFAOYSA-N	404.301	4.592	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1	771143922	YNRCHILRCJRKBF-UHFFFAOYSA-N	419.522	4.530	50	20	HJGD	
CC(C)(C)SCCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773211184	CKBISRWROSTLIX-UHFFFAOYSA-N	406.442	4.930	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccccc1OCc1ccc(F)cc1	775251529	VGKYGGKTZJQCGQ-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
CCCc1nc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)s1	777033476	KOLNLEAOOHLAOM-FNHQQPGVSA-N	400.548	4.575	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1occc1CN1c2ccccc2C[C@@H]1C	777481522	KHKSRCSEYUGZIX-KRWDZBQOSA-N	412.493	4.844	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cccc(C(=O)OC(C)(C)C)c1	777871208	ZGNXLSRACJPYHG-PDGQHHTCSA-N	422.481	4.553	50	20	HJGD	
Cc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)nn1-c1ccc(Cl)cc1	778501958	FUJUXPDOCCZKOO-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)c(C)n1CC(C)C	791021614	YRWWLACKZJVTPQ-CPXSDEBSSA-N	412.452	4.569	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)c1	791272704	LOLJGDGIQHQYQT-ACCUITESSA-N	424.501	4.804	50	20	HJGD	
O=C(NNc1cccnn1)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1	793809481	PUIAONJAVIKCCY-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1	804180458	LLPXKWIWLDFJSP-WOJGMQOQSA-N	400.400	4.757	50	20	HJGD	
CS[C@@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccccc1	804206921	VJQKHSYZMCPEAV-GOSISDBHSA-N	418.444	4.710	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1	812769096	ULFQQQQCKOHPRU-UHFFFAOYSA-N	422.573	4.526	50	20	HJGD	
Cc1c(C(=O)NNc2ccccc2[N+](=O)[O-])sc2ccc(Br)cc12	814191480	JJQDDAUUSXXQFB-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
CCOC(=O)[C@@H]1CCCc2sc(NC(=O)CCCC[C@@H]3CCSS3)nc21	817497670	XIWFXNBSDHOCMN-CHWSQXEVSA-N	414.618	4.779	50	20	HJGD	
Cc1ccc(-n2c(N(C)C)nc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2Cl)cc1	912858861	IFZSKQMGGVZHEA-NTCAYCPXSA-N	423.879	4.585	50	20	HJGD	
Cn1c2ccccc2c2cc(C(=O)NNc3ccc(Br)cc3)sc21	918320641	VMCMMMBYMGAIPV-UHFFFAOYSA-N	400.301	4.912	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1nc(N)c2ccccc2n1	1324210717	QBLVBUUBQWDXBA-SXGWCWSVSA-N	420.398	4.540	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)CCC1	1785965446	VJGYKTBWTQCOCP-UHFFFAOYSA-N	415.921	4.565	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1	1827410083	OFRQOZHHAPNIKZ-DLBZAZTESA-N	422.978	4.745	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)CC1	1832367984	VEHWXTGYGKASRL-MISYRCLQSA-N	411.030	4.697	50	20	HJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1C	8200200	RNEFEMMWQRXCOP-CAOOACKPSA-N	405.479	4.692	50	20	HJGD	
O=C(NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cc2c(s1)CCC2	15475636	LFYXZDOWWFXIBM-JOCHJYFZSA-N	415.518	4.577	50	20	HJGD	
Cc1ccc(-c2ccsc2C(=O)NNC(=O)c2ccc(Br)s2)cc1	15762442	NJABXYKNCXNJAH-UHFFFAOYSA-N	421.341	4.622	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1C	24864067	GIKALBORIISYTB-HYARGMPZSA-N	420.557	4.526	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cs1	207832617	JXQRPVMMWAFWJL-PDGQHHTCSA-N	416.506	4.990	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)cc1	211480544	PGZJMROKITYFRV-UYRXBGFRSA-N	416.456	4.737	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCN(Cc2c(F)cccc2Cl)CC1	302712024	VFCBOLQPHQGTFA-OAHLLOKOSA-N	417.015	4.837	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCC(=O)Nc1cc(Cl)ccc1Cl	726194670	OJQKBCAWYPSWDR-GFCCVEGCSA-N	407.388	4.762	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc([C@@H]4C[C@@H]4C)o3)cc2)n1	732761365	FIAXQGGEDBQNKX-VBKZILBWSA-N	420.538	4.866	50	20	HJGD	
Cc1cccc(COc2cccc(CC(=O)NNc3nccc4sccc34)c2)c1	734249138	LCIZTNZFGXTILC-UHFFFAOYSA-N	403.507	4.870	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCOC[C@@H]2c2ccco2)c(C)n1C1CCCCC1	735026123	YIYVOJJMRADXBB-FBHQFGEZSA-N	407.514	4.710	50	20	HJGD	
Cc1cc(=O)oc2cc(OCCOC(=O)CCCC[C@@H]3CCSS3)ccc12	740948869	MSGZHPMLBOFKGL-MRXNPFEDSA-N	408.541	4.738	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCSCC3)cc2)c1C	741578650	WNVYCSVURWCDJH-HKWRFOASSA-N	408.571	4.614	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1	743300904	NBBWILUBMYQYPG-IRXDYDNUSA-N	424.353	4.513	50	20	HJGD	
COc1ccc(C2CCN(CCP(=O)(c3ccccc3)c3ccccc3)CC2)cc1	745986097	CNSKVJMLXPHKHG-UHFFFAOYSA-N	419.505	4.889	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1C(=O)c1ccccc1	748704208	BRTFXUFKKDMYNQ-UHFFFAOYSA-N	414.383	4.616	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1	751782537	VDVOXIUREQFBOV-XSFVSMFZSA-N	411.436	4.574	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1NC(=O)C1CCCCC1	752390156	TYNWTHRSLOQCCS-AQTBWJFISA-N	421.472	4.899	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(Br)ccc1F	753173362	JXWBOHGUEHJMBA-UHFFFAOYSA-N	416.088	4.670	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccnc2-c2ccccc2)c1C	755157347	HCXRYTDCNLSKFB-GFHXCNCHSA-N	414.509	4.920	50	20	HJGD	
O=C(NN=CC1CCOCC1)c1ccc(CSc2nc3ccccc3s2)cc1	755480076	BKPDSIYWBRTPPC-UHFFFAOYSA-N	411.552	4.731	50	20	HJGD	
Cc1coc(-c2cc(NC(=O)NNC(=O)c3c(Cl)cccc3Cl)ccc2C)n1	757709242	MPCAXTHIADDHBC-UHFFFAOYSA-N	419.268	4.732	50	20	HJGD	
CCCN(C(=O)c1ccccc1NC(=O)NNc1nc2ccccc2s1)C(C)C	770075830	DUNIDNZMYNGSQP-UHFFFAOYSA-N	411.531	4.706	50	20	HJGD	
CCc1nc2ccccc2n1C1CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CC1	772373814	YZJADMKFLAHQPG-FBHDLOMBSA-N	401.470	4.708	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1cc(Br)cc(Br)c1	773491205	DPQFVAQSOKEXJE-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
CCCN1C(=O)CCc2cc(NC(=O)/C(C#N)=C\c3cc(C)n(CCC)c3C)ccc21	774004768	JMXIVIJMOGUJEG-STZFKDTASA-N	418.541	4.750	50	20	HJGD	
O=C(NNc1ccccn1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2	777468370	YUSVHQBFIVFBLI-UHFFFAOYSA-N	416.312	4.600	50	20	HJGD	
CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1C	777972943	IVHRCXVSWSWYPW-QWHCGFSZSA-N	422.485	4.837	50	20	HJGD	
CC[C@@]1(CO)CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	778127024	GITKVAKHVDQBGY-CQSZACIVSA-N	409.442	4.517	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@H]1CCc2ccc(-c3ccccc3)cc21	779687368	LEFYYMPDORHDEJ-QHCPKHFHSA-N	422.488	4.533	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)sc2nc3n(c(=O)c12)CCCCC3	780803313	DWKTWOFBVXFEAJ-UHFFFAOYSA-N	424.570	4.547	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC(N2CC=CC2)CC1	782700500	YKDYYUJAWOAXCD-INIZCTEOSA-N	419.900	4.774	50	20	HJGD	
Cc1ccc(F)c(C(=O)NNc2ccc(F)cc2Br)c1Br	787455446	NPUWTHPLXKZGDN-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
CC(=O)c1cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)ccc1C	789942480	WFQBFQIHGIWQFJ-UHFFFAOYSA-N	415.209	4.736	50	20	HJGD	
Cn1cnnc1SCc1ccc(C(=O)NN=C2CCCC[C@@H]2C2=CCCCC2)cc1	814702715	YKZCEEIQLYWWRS-HXUWFJFHSA-N	423.586	4.884	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1	817911385	QBHQYPQELCKUKU-UHFFFAOYSA-N	405.285	4.643	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc(C(C)=NNC(=O)c2cc3ccccc3cc2O)cc1	914772057	IRVHKWHTAWXTSH-UHFFFAOYSA-N	418.497	4.573	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CCCCc2ccccc2)c(C)n1C[C@H]1CCCO1	916484508	AOYYVSWHBGLOMB-IMKZUMICSA-N	419.569	4.672	50	20	HJGD	
COc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3ccccc3C)s2)cc1	917028966	KYBNXDWXXMFVAG-UHFFFAOYSA-N	400.891	4.621	50	20	HJGD	
O=P(CCN1CCC[C@@H]1Cc1ccc(F)cc1)(c1ccccc1)c1ccccc1	917831495	CPQXELCGLUYASM-HSZRJFAPSA-N	407.469	4.847	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(F)c2)c(-c2ccccc2)n1	918597866	WAHJIJIGXCRLSL-LFIBNONCSA-N	419.847	4.802	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	918713725	RCOXBHUJHRVXFI-NTUHNPAUSA-N	413.264	4.938	50	20	HJGD	
CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NNC(=O)c2ccc3ccccc3c2)cc1	918779745	ADIHNLGPWRZLAT-GOSISDBHSA-N	419.525	4.592	50	20	HJGD	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)CCCC[C@H]1CCSS1	918954814	GLYSGHLPMRLPKH-ZFWWWQNUSA-N	417.543	4.742	50	20	HJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1	920069316	XSTKCSWRGNSORG-XNTDXEJSSA-N	407.271	4.693	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1	920820917	ZMDGFXHDJQHBAA-HUCUOGIVSA-N	418.472	4.503	50	20	HJGD	
CCC[C@H](C(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1	929085527	BMHDPXHTWXXTJD-QHCPKHFHSA-N	422.550	4.855	50	20	HJGD	
C[C@H](NC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1nc(C(C)(C)C)cs1	1116007464	JZPCBCJYYLCNQI-QMMMGPOBSA-N	421.876	4.895	50	20	HJGD	
COc1cc(Br)c(OC)c(C(=O)NNc2cc(Cl)ccc2Cl)c1	1331531248	PGNMXUVLHAIITA-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)CCC1	1790319303	ROKAQVLEEAJNQG-IBGZPJMESA-N	414.933	4.769	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3F)cc2)CCC1	1790334409	ZAJWPUYTTYWACR-KRWDZBQOSA-N	406.860	4.730	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3C)cc2)CCC1	1790345773	FGLKLJYZGIWKFP-FQEVSTJZSA-N	414.933	4.769	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1	1790491835	MMKYINYKJAEGCZ-GOSISDBHSA-N	411.354	4.732	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C3(c4ccccc4)CC3)CCC2)cc1)C(Cl)Cl	1791605512	PCWDISCVOIWOLG-UHFFFAOYSA-N	417.336	4.656	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820904863	HYUWSJPQZWWRFM-LNJMBMCMSA-N	420.985	4.946	50	20	HJGD	
CC(C)Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)cc1	1827615593	QVMFRHMACYSCNU-RTWAWAEBSA-N	422.972	4.653	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2cccs2)CC1	1830301970	AUCQPWVHURBHFE-QUDYQQOWSA-N	423.022	4.789	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2C)CC1	1830641836	QZXLLQRGKJTNMA-UXHICEINSA-N	404.982	4.554	50	20	HJGD	
C[C@@H]1C[C@]1(C)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845125026	HLTJAZKDWADZFP-KNQAVFIVSA-N	411.030	4.986	50	20	HJGD	
O=C(NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cccc(Cl)c1	15475277	DPYRQYURCPRJFX-OAQYLSRUSA-N	403.869	4.680	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)c(Br)cc1O	195713850	CZVBVLXXLQJZMA-WDZFZDKYSA-N	420.213	4.972	50	20	HJGD	
COc1ccccc1[C@@H](CNC(=O)CCCC[C@H]1CCSS1)N1CCCC1	302709487	MSGWHOINCUWWNV-PKOBYXMFSA-N	408.633	4.662	50	20	HJGD	
Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CCCC[C@H]1CCSS1	725735069	ZIXNZXGDWBSIQQ-KRWDZBQOSA-N	424.657	4.837	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	727741245	KXBXLNIXCXVHOL-RBUKOAKNSA-N	419.550	4.516	50	20	HJGD	
Cc1nc(-c2ccc([C@H](C)NC(=O)NNC(=O)CCCc3ccccc3)cc2)cs1	727840957	HLHTWRNHZHDCSG-INIZCTEOSA-N	422.554	4.533	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1C	728082380	VIEKJNACTCQNBV-PGMHBOJBSA-N	418.541	4.687	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1C	728498629	ZIFGHRGWQJLANI-DEDYPNTBSA-N	404.514	4.726	50	20	HJGD	
Cc1nn(-c2ccccc2)c2ncc(C(=O)NNc3cccc(C(F)(F)F)c3)cc12	728716050	GRZICPPFUFCGCT-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2c(C)noc2C)c1C	733764177	PTYWYBNNJOWRED-SVZNOHIVSA-N	402.498	4.792	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@H]1C[C@@H]1c1c(F)cccc1F	734947733	ZBOQGOPYCLOKDO-KGFZYKRKSA-N	407.635	4.502	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1	746059504	KUNQEKZJRAEGST-RKPNYOAGSA-N	409.829	4.610	50	20	HJGD	
C/C(=C/C(=O)NNc1ccc(F)cc1Br)c1ccccc1OC(F)F	748073450	BJZRUHMBZUUVQH-NTMALXAHSA-N	415.209	4.736	50	20	HJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748704315	YSPHVOKUYCJNPO-UHFFFAOYSA-N	402.800	4.825	50	20	HJGD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3ccc(C#N)s3)c2C)cc1	748999889	STDNTUYPPRUNOU-BOPFTXTBSA-N	415.474	4.604	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)c(C)n1C1CCCCC1	749164053	IFUPGIOWXBWZNJ-QFXXMJIKSA-N	419.573	4.787	50	20	HJGD	
CCCc1ccc([C@H](NC(=O)NNC(=O)CCc2ccccc2)c2cccs2)cc1	750327699	FDQYFCKBXVUFGI-QHCPKHFHSA-N	421.566	4.753	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)o1	752524464	HFIJACINOHBSFG-UHFFFAOYSA-N	424.840	4.641	50	20	HJGD	
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NNc1cccnc1Cl	754470035	AOKWWOXAZAVBMH-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
CN1CCC[C@@H]2CN(C(=O)Nc3ccccc3S[C@H](Cl)C(F)(F)F)CC[C@@H]21	765871576	NIMSRZWPYRRXIL-INWMFGNUSA-N	421.916	4.854	50	20	HJGD	
COc1cccc(Oc2ncccc2CNC(=O)NNc2c(F)cccc2Cl)c1	771325875	HSBBGQCLNKHDSC-UHFFFAOYSA-N	416.840	4.501	50	20	HJGD	
Cc1ccc(OCc2nc(/C=C(\C#N)C(=O)c3cccc4c3OCCO4)cs2)cc1	771513508	MMJHWPCPPDYAJD-LFIBNONCSA-N	418.474	4.592	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2cccc(NC(=O)OC(C)(C)C)c2)cc1	773109801	JGTRJPJTDIUXKT-PDGQHHTCSA-N	408.454	4.693	50	20	HJGD	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)ccc1OCC(F)(F)F	774562354	UFMYANWGADNYGJ-AUWJEWJLSA-N	408.332	4.617	50	20	HJGD	
N#C/C(=C\c1cccc(Br)c1OC(F)F)C(=O)c1ccc2c(c1)OCO2	776726344	WLSDFBUXGNZCBV-WUXMJOGZSA-N	422.181	4.569	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3Br)s2)o1	779136172	LHQVYGMGVKQDSN-UHFFFAOYSA-N	422.260	4.744	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccnc(SC(C)(C)C)c1	779193924	OXODXWIPWHMKDU-UHFFFAOYSA-N	402.589	4.727	50	20	HJGD	
CCCc1cc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n(C)n1	782930022	HTZRVHXWMPUCLF-UHFFFAOYSA-N	405.414	4.831	50	20	HJGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)cc1	783346371	MDRNMHDJOGBMFU-KRWDZBQOSA-N	405.523	4.930	50	20	HJGD	
N#Cc1cccc(COc2ccc(NS(=O)(=O)CCCCCl)cc2Cl)c1	788059070	TVKVQJHYZIHQCL-UHFFFAOYSA-N	413.326	4.551	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1	792533990	HXRWHYBHUYRTLB-XNTDXEJSSA-N	408.458	4.597	50	20	HJGD	
N#C/C(=C/c1cscc1Br)C(=O)Nc1nc2ccccc2nc1Cl	794685538	IFJVVPDESKJJGU-UITAMQMPSA-N	419.691	4.653	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c(Br)c1O	794885095	OFAGKOBSYRSLRJ-XNTDXEJSSA-N	409.239	4.501	50	20	HJGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	794932243	VDTSRDCULDBAOZ-WQLSENKSSA-N	409.656	4.979	50	20	HJGD	
O=C(NNc1ncccc1F)c1ccc(CSc2nc3ccccc3s2)cc1	804215538	URAMXGCYXRSLOY-UHFFFAOYSA-N	410.499	4.880	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccc(N2CCc3sccc3C2)cc1	806244767	LUUAQQRFDNRQAE-UHFFFAOYSA-N	423.498	4.676	50	20	HJGD	
CCN(CC(C)(C)C)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	813321803	JBQKVVMXWOJZPN-QGOAFFKASA-N	423.948	4.919	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1	816570071	HBSILEZEGAKVND-UHFFFAOYSA-N	412.921	4.712	50	20	HJGD	
CCOc1ccc(NNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1	817896009	LZQBXKYEXFDNNB-UHFFFAOYSA-N	417.918	4.840	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCCc2nc(-c3ccc(C)c(F)c3)no2)cc1	913234783	SUVGEETXYDHXDH-XDHOZWIPSA-N	405.429	4.576	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1C	914486734	ATUDOXNKXDWNNI-VKCZAOEGSA-N	423.557	4.884	50	20	HJGD	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	915293265	HGCDMNICSFLVML-QMMMGPOBSA-N	422.095	4.529	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1OCCC	917213479	MBXPAQRAVLPKMW-UHFFFAOYSA-N	407.854	4.583	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNC(=O)CC(F)(F)F	917550437	IXXOJKLXWBJBEB-UHFFFAOYSA-N	420.366	4.515	50	20	HJGD	
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NNc2ccccc2C(F)(F)F)c1	918215184	DECMIWXZJQUAMX-CYBMUJFWSA-N	408.424	4.516	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cc3ccc(OCC)cc3[nH]2)cc1	918679103	MOVJWRCCRLSOAG-UHFFFAOYSA-N	410.543	4.541	50	20	HJGD	
O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)c1ccc2c(c1)oc1ccccc12	1117116062	YEUKZNHMGATYEY-UHFFFAOYSA-N	421.403	4.513	50	20	HJGD	
COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)NNC(=O)c1ccccc1Cl	1323078025	NGDZRJLBUPBOJF-KRWDZBQOSA-N	424.328	4.733	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CSC3CCCC3)cc2)CCC1	1786348690	YMOBWFVRALRLCZ-GOSISDBHSA-N	408.995	4.814	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccccc3OC)cc2)CCC1	1790229635	JHIIESKQDQWGQY-LJQANCHMSA-N	414.933	4.850	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	15960720	XBHRIYVUZLGELW-CLMUKVTESA-N	405.542	4.954	50	20	HJGD	
O=C(NNC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1Cl	17200875	ACYBRPSJMLIVQZ-UHFFFAOYSA-N	415.276	4.647	50	20	HJGD	
N#C/C(=C/c1c(OC(F)F)ccc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1	211609708	GLRPWWUSIQIJKA-PTNGSMBKSA-N	408.360	4.685	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)c1ccccc1Oc1ccccc1	725874283	BTQPMJFKKIEHPQ-KRWDZBQOSA-N	404.470	4.884	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCCc3c(C)ccc(OC)c32)c1C	727667367	STAGTCRVJLYKFH-LANLRWRYSA-N	421.541	4.516	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	727801263	NBUVXPKHADYWOT-QWRGUYRKSA-N	400.649	4.802	50	20	HJGD	
O=C(NNC(=O)N(Cc1ccco1)Cc1cccs1)c1c(Cl)cccc1Cl	727850484	CRSSTDOPIYWVPU-UHFFFAOYSA-N	424.309	4.705	50	20	HJGD	
CC[C@@H](C)Oc1cc(C=NNC(=O)c2cc(F)ccc2Br)ccc1OC	728437161	ZPYCWBQORFNAMN-GFCCVEGCSA-N	423.282	4.538	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)C2CCC2)c(C)n1C[C@@H]1CCCO1	729658017	UALJCUSSMGEEEJ-OEAUITNHSA-N	417.553	4.849	50	20	HJGD	
Cc1ccccc1[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)C1CC1	732744613	DUSHMVVAPROUBP-HQPUJVECSA-N	417.553	4.767	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1ccc(CSc2nc3ccccc3[nH]2)cc1	734245861	BHDFOKGUOHCAOB-UHFFFAOYSA-N	409.902	4.661	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C[S@@](C)=O)c2C)c1C	735022804	UQUGAESWNRNOJE-ZWRZIAIJSA-N	411.571	4.638	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Oc1ccccc1Cl)NC1CCCC1	742591262	ALLZDBBPEHBIGV-UHFFFAOYSA-N	408.285	4.672	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)C1CCCCC1	743056261	SJOGXTPRFDEIEO-PGNDWZGLSA-N	402.922	4.596	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1sc2ccc(OC)cc2c1C	743821694	VRVXLJMRUGETIE-UHFFFAOYSA-N	413.568	4.721	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)Cc1csc(-c2cccs2)n1	748747613	BBXWJPSWBPVKCK-UHFFFAOYSA-N	408.346	4.628	50	20	HJGD	
C[C@@H](Nc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccn1	749267559	INJMONCBBGPCIM-CYBMUJFWSA-N	411.849	4.573	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H](c1ccccc1)C1CCOCC1	754650009	IMKSUWFIAAJIMV-SFHVURJKSA-N	411.399	4.639	50	20	HJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3sc(-c4ccccc4)nc3C)co2)cc1	755566301	JWGKNSIHGPDIIL-UHFFFAOYSA-N	402.479	4.846	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1	756206225	OXESZHZSGADCCI-OAQYLSRUSA-N	414.465	4.697	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(Br)cc1Br	768479993	WHEBCYDUHNNDCA-UHFFFAOYSA-N	424.136	4.847	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNc3ccnc(Br)c3)cc2)cc1	771135724	JIIGLBLYBASDMO-UHFFFAOYSA-N	424.258	4.657	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc(C(=O)NCc2ccccc2)c1	771181108	XJZLFRZZWRRJDP-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2nc(-c3ccccc3)no2)c1	772677409	MUIRVFCJIFWBGM-UHFFFAOYSA-N	400.438	4.559	50	20	HJGD	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	773493866	AQMBZHYWCCBPDZ-INIZCTEOSA-N	417.431	4.990	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-c2cccs2)c1	773740365	KVPPMTSVNCREKQ-UHFFFAOYSA-N	405.401	4.516	50	20	HJGD	
CCC(CC)(C(=O)NNc1ncc(Cl)cc1Cl)c1ccc(OC)c(OC)c1	775273834	WPDOESBZAPWOQH-UHFFFAOYSA-N	412.317	4.607	50	20	HJGD	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)NNc1ncc(Cl)cc1Cl	775275797	RANRMFVMAMQMBV-UHFFFAOYSA-N	411.676	4.598	50	20	HJGD	
COc1sc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)cc1Br	776257415	LCRANCCEMRGGSE-POHAHGRESA-N	414.227	4.910	50	20	HJGD	
CC(C)N(C(=O)COC(=O)/C(C#N)=C\C1CC1)c1ccc(Nc2ccccc2)cc1	786668395	FQOKNAFEWWXFGQ-RGEXLXHISA-N	403.482	4.575	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790563235	ZJAYIVMIFDLRLZ-ZFWWWQNUSA-N	406.408	4.723	50	20	HJGD	
CC(C)(C)[C@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1	794343231	UOXUSKSSYDMBBT-QDUHJBTASA-N	415.541	4.655	50	20	HJGD	
N#C/C(=C\c1cscc1Br)C(=O)Nc1nc2ccccc2nc1Cl	794685539	IFJVVPDESKJJGU-WEVVVXLNSA-N	419.691	4.653	50	20	HJGD	
CN(C)Cc1cnc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)s1	794695822	PTHOBTPGNNIQNK-FOWTUZBSSA-N	404.495	4.543	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1ncccc1Oc1ccccc1	799613307	TZVKKYDUMJRRSJ-UHFFFAOYSA-N	415.199	4.764	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNc3ccc(OCC(F)(F)F)cc3)cc2)cs1	799706421	GFDMACOWONZLQY-UHFFFAOYSA-N	407.417	4.817	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCOC[C@@H]1[C@H]1CCCO1	806401288	JGVWZNZRWBADFR-ZIAGYGMSSA-N	402.385	4.756	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccc(C(F)(F)F)cc1N1CCCC1	806861795	UZYILTUSDMATDF-UHFFFAOYSA-N	406.433	4.672	50	20	HJGD	
Cc1cc2cc(CNC(=O)NNC(=O)Nc3ccc(-c4ccccc4)cc3)ccc2[nH]1	807559726	GNGILEURWMKYPR-UHFFFAOYSA-N	413.481	4.679	50	20	HJGD	
O=S(=O)(Nc1ccc(Oc2cccnc2)cc1)c1ccc(CCCCl)cc1	808126078	HUPSNHCFIWXUKZ-UHFFFAOYSA-N	402.903	4.846	50	20	HJGD	
CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	808355553	KVFLMKKAEPHSCH-LBPRGKRZSA-N	410.474	4.743	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1	813048303	SEWFLFXTDPWCHA-UHFFFAOYSA-N	419.472	4.656	50	20	HJGD	
COC(=O)CCC[C@@H]1CCCC(=NNC(=O)c2sc(-c3ccccc3)nc2C)C1	814754380	QREGFMMWXDQDDH-INIZCTEOSA-N	413.543	4.738	50	20	HJGD	
Cc1cccc(CN(C)C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1C	816788768	VPBRYJHQTPIMCY-HZHRSRAPSA-N	423.520	4.646	50	20	HJGD	
Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2[N+](=O)[O-])cc1	915843261	MFNYVDUIGSOFCS-GZTJUZNOSA-N	419.462	4.871	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)Nc1nccs1	915851816	VKKJYHFDFOHTJO-LGMDPLHJSA-N	411.490	4.850	50	20	HJGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)Nc1ccc(SC(F)F)cc1	920755566	MOIUDCZQMAPERD-YRNVUSSQSA-N	404.829	4.848	50	20	HJGD	
O=C(NN=C1CCC(c2cccc(C(F)(F)F)c2)CC1)c1n[nH]c2c1CCCC2	1343711187	IRMGLHYOOCZTCB-UHFFFAOYSA-N	404.436	4.751	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(C)n3)CCC2)cc1	1786444037	PHSGUVDTANNDKF-IBGZPJMESA-N	413.949	4.854	50	20	HJGD	
Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)s1	1788582559	OCWRCXKCXDIGRH-GOSISDBHSA-N	408.926	4.658	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccs3)CCC2)cc1	1790485857	IWBSQZNEYIXKHI-ZGKFYVQTSA-N	402.947	4.913	50	20	HJGD	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@](C)(Cl)CCl)cc2)CCC1	1790493627	CHAYDHVUVHPVGI-QGZVFWFLSA-N	419.299	4.568	50	20	HJGD	
C[C@]1(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Br)CCC3)cc2)CC=CCC1	1791992988	ZAIODOKZVIRVFU-APWZRJJASA-N	423.326	4.557	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3c(C)cccc3C)CC2)C1	1806165324	WMRMMUUYIPZJKO-LJQANCHMSA-N	404.982	4.556	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cs1	7157423	LYPJXPKUGRATLP-SFQUDFHCSA-N	402.479	4.682	50	20	HJGD	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3CCCCCC3)c2)c(C)c1	7942253	MRIXGPAHFPQHEO-UHFFFAOYSA-N	413.543	4.544	50	20	HJGD	
COc1ccccc1[C@H](CNC(=O)CCCC[C@H]1CCSS1)N1CCCC1	302709109	MSGWHOINCUWWNV-HKUYNNGSSA-N	408.633	4.662	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c1	726441944	PPUZKMCINLHFNV-INIZCTEOSA-N	411.596	4.512	50	20	HJGD	
Cc1c(C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)oc2ccc(Cl)cc12	727500095	OFVUDROSZVPCMV-UHFFFAOYSA-N	417.918	4.813	50	20	HJGD	
CC1(C)Cc2cc(C=NNC(=O)c3ccc(Br)cc3Cl)ccc2O1	729145205	KEQAPEFJLACJED-UHFFFAOYSA-N	407.695	4.580	50	20	HJGD	
Cc1ccccc1COc1cccc(CC(=O)NNc2nccc3sccc23)c1	734247043	RTHISRDFJQSBAN-UHFFFAOYSA-N	403.507	4.870	50	20	HJGD	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NNC(=O)c1ccc2ccccc2c1	746211543	IVFWZGDCPNIAJH-CQSZACIVSA-N	415.415	4.906	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)c1C	759221325	OKWQDWGETBOKLO-VBNMEBLOSA-N	407.514	4.783	50	20	HJGD	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccc(OC(F)(F)F)cc1	759970659	JTKMXJCUXFYWLL-LLVKDONJSA-N	400.784	4.591	50	20	HJGD	
Cc1nc([C@H]2COCCN2C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)no1	762967263	ZSQNXCQGWCMGME-GFCCVEGCSA-N	414.356	4.641	50	20	HJGD	
COC(=O)N1CCC(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762978671	OPJLXJHWBFZLEN-UHFFFAOYSA-N	403.373	4.696	50	20	HJGD	
Cc1noc(C2CC2)c1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	766618913	FNFNGUMXJZPITM-WQRHYEAKSA-N	404.445	4.953	50	20	HJGD	
COc1ccc(-c2nc(C=NNC(=O)CCSc3ccc(F)cc3)cs2)cc1	767168332	HTQMRQOSKLSYJC-UHFFFAOYSA-N	415.515	4.590	50	20	HJGD	
O=C(Cc1cccc(OCc2cccnc2)c1)NNc1ccnc2cc(Cl)ccc12	771297610	CJMRPTCFTFASQP-UHFFFAOYSA-N	418.884	4.548	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC(=O)c2ccco2)c(C)n1C1CCCCC1	771563820	KGWGOVCOTQTPGR-RZKQZQCBSA-N	407.514	4.888	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCc2ccccc2CC1	773273922	IXANAUXEAFXDMZ-UHFFFAOYSA-N	420.403	4.910	50	20	HJGD	
CO[C@H](C)CN(C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(C)C	773671733	COYHSNQJBVEOCI-LLVKDONJSA-N	404.401	4.554	50	20	HJGD	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1Cl	787085538	YMDFBLKBHHDFEV-YHZJOHHESA-N	423.900	4.606	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CCC(F)(F)F)CC(F)(F)F)c1C	791116412	FQMVXMYQPPROKN-DHDCSXOGSA-N	409.374	4.765	50	20	HJGD	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1ccnc(F)c1	797750729	ITOKDLJZRCFKES-UHFFFAOYSA-N	409.248	4.892	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCC23CCOCC3)c(C)n1C1CCCCC1	800195779	OWUHZUYGHHSWIS-ODFZLOHPSA-N	409.574	4.983	50	20	HJGD	
N#C/C(C(=O)CSc1ncnc2sc3c(c12)CCC3)=C1\Nc2ccccc2S1	802604650	SVNQSAKQWQTGBN-PDGQHHTCSA-N	422.560	4.794	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1	813047184	PDGCZCNHQYOLDQ-UHFFFAOYSA-N	422.460	4.527	50	20	HJGD	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NNc1c(C)cccc1C(C)C	813047513	VVMVLRYSQUHUBM-UHFFFAOYSA-N	420.488	4.710	50	20	HJGD	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1	914472160	LJQDPMQJDGYQGS-UQRWVXEISA-N	409.493	4.557	50	20	HJGD	
O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1Cl	916360363	RLBLPGADIYLGID-UHFFFAOYSA-N	404.209	4.926	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NCCC(C)(C)C)c3ccccc3n2)cc1	916631213	JPABQIZFLSZQRO-UHFFFAOYSA-N	404.514	4.590	50	20	HJGD	
N#C/C(=C\c1ccc(F)c(-c2cccs2)c1)C(=O)Nc1ccc2c(c1)OCCO2	917564049	VLSTVEWRBQTESW-XNTDXEJSSA-N	406.438	4.871	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1c[nH]cc1-c1ccccc1	919690248	PEHBTQASANSTRR-UHFFFAOYSA-N	422.444	4.565	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccccc2N2CCCC2)c(C)n1CC(C)C	919744815	KFNFUJCVKAZROW-BUVRLJJBSA-N	418.585	4.927	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3)CCC2)cc1	1786441764	BDFWFWAEVVBVHB-KRWDZBQOSA-N	420.340	4.890	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OC)c3C)CCC2)cc1	1790487775	BOXOLPFSZOGRHC-IBGZPJMESA-N	414.933	4.769	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)[nH]n1	1815324096	JEYLKOGGEPISIU-NBOOPKSLSA-N	408.974	4.636	50	20	HJGD	
Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c1	1832564719	GDKPGUQTIANIQG-OAQYLSRUSA-N	419.009	4.802	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2c(-c3ccccc3Cl)noc2C)c1	14805929	GXEAGFZAXBUFMV-UHFFFAOYSA-N	414.918	4.552	50	20	HJGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1	63278656	JQKXYUPBSPKLJA-PDGQHHTCSA-N	400.400	4.859	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	727793655	XVAIWEXBKPMPRH-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)c1cccc(C(F)(F)F)c1	727845197	HHZRJDBWUGXWQG-LJQANCHMSA-N	421.463	4.900	50	20	HJGD	
CC(C)(C(=O)NN=Cc1cc2ccccc2nc1N1CCCCC1)c1ccccc1	731150246	DVHBGKAXHZDWRA-UHFFFAOYSA-N	400.526	4.653	50	20	HJGD	
CCn1cc(C=NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cn1	732528099	RHHRJOJZWRKHHY-UHFFFAOYSA-N	403.873	4.536	50	20	HJGD	
Cc1cccc(COc2cccc(C(=O)NNc3cccc(C(F)(F)F)n3)c2)c1	740140014	GPUXLAWODQGSMX-UHFFFAOYSA-N	401.388	4.745	50	20	HJGD	
O=C(NN=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)NC1CCCC1	743532254	RSZAGDSGAVHMHV-UHFFFAOYSA-N	402.838	4.616	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c1C	743653323	OGEXJQUHJDAJAN-QFXGEWDLSA-N	415.541	4.672	50	20	HJGD	
Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743826375	BLEFMWOHANDCLC-UHFFFAOYSA-N	418.478	4.845	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NC2CCC(c3ccccc3)CC2)c(Cl)c1	745476523	ZXROYEYGXBUZHP-UHFFFAOYSA-N	400.910	4.711	50	20	HJGD	
O=C(NN=Cc1cc(Br)ccc1OC(F)F)c1ccc(Cl)cc1F	747645384	DWVROCKQIWETQR-UHFFFAOYSA-N	421.600	4.607	50	20	HJGD	
COc1cc(C(=O)NNc2ccccc2Br)ccc1OCCC(C)C	748058238	DFEHMXFSOJUNGN-UHFFFAOYSA-N	407.308	4.640	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccccc1	750660266	AYEVNPJBSMNYJJ-AWZALFRUSA-N	412.445	4.537	50	20	HJGD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCC[C@H]2CCSS2)cc1	750874807	OLGWPJZAMSXSDU-SFTDATJTSA-N	422.660	4.974	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(-c2ccco2)nc1C	753170807	PYCDMSCXPHEYJY-UHFFFAOYSA-N	400.276	4.732	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(OC)c(C(C)C)c(OC)c1	753175819	MRGKBXWSEDWTPR-UHFFFAOYSA-N	421.335	4.909	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC(=O)Cc2ccc(Cl)cc2)c1	759648586	OXGCQCQDRYCZIB-UHFFFAOYSA-N	424.932	4.660	50	20	HJGD	
CCc1cnc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)s1	762666991	SRSQEQACBIOGTL-UHFFFAOYSA-N	415.409	4.618	50	20	HJGD	
C[C@@H]([C@@H](C)N(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)S(C)(=O)=O	762968657	MOZQAPQWCMJTTQ-ZJUUUORDSA-N	410.430	4.629	50	20	HJGD	
CC(C)n1cc2c(n1)[C@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)CCC2	765915537	GLYVABFNWNBXLR-JOCHJYFZSA-N	403.530	4.762	50	20	HJGD	
CCc1ccccc1C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	770143453	LNJGYBVLYDYULQ-UHFFFAOYSA-N	401.841	4.553	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1C(=O)NNc1ccc(Br)c(F)c1	771682970	WNQLYLHVUQSFKP-UHFFFAOYSA-N	424.270	4.692	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)NNc3ccc(C(F)(F)F)cn3)cn2)cc1	775513172	OOQKEUKRLNVHLV-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1ccccc1C(=O)c1ccc(F)c(F)c1	777531193	GYIVKBXNXVLSII-UHFFFAOYSA-N	403.388	4.501	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)[C@@H](C)Cc1ccsc1	778227079	UDFCTFMGZOQMBX-QOLIJMJTSA-N	413.587	4.761	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1cccc(OCc2cscn2)c1	779418374	ZUJLWPNBJXNOGA-UHFFFAOYSA-N	424.404	4.769	50	20	HJGD	
CSc1cccc([C@H](NS(=O)(=O)CCCCCl)c2ccc(F)c(F)c2)c1	780799152	YGWDCOOFXKORJF-SFHVURJKSA-N	419.946	4.715	50	20	HJGD	
O=C(/C=C\c1cccc(O)c1)NNc1c(Cl)cc(Br)cc1Cl	780811095	RCFBZKZQYSILRW-PLNGDYQASA-N	402.075	4.618	50	20	HJGD	
CCN(CCc1ccccn1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	783881573	FYXSRGNRNBRDPA-UHFFFAOYSA-N	423.407	4.769	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)C(=O)Nc1ccccc1-c1ccccc1	784415042	SXFXYQMRKDVKDB-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1	785254154	GZWQRWHLTIWNAO-XESZTULISA-N	413.452	4.862	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(C(F)(F)F)cn1	793852018	PWULDAATTAQDIJ-UHFFFAOYSA-N	410.783	4.728	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)cc1OCC	794880827	AUVQISGUUNQGGN-HVVQPJKBSA-N	422.319	4.539	50	20	HJGD	
CC(C)(C)OC(=O)NCC1CCC(=NNC(=O)c2c(Cl)cccc2Cl)CC1	794905516	SWYSVVLCENFMAE-UHFFFAOYSA-N	414.333	4.794	50	20	HJGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)C(=O)c2ccc(Br)s2)c1	794941979	DSFCXCWTJXPKBM-XFFZJAGNSA-N	410.676	4.740	50	20	HJGD	
COC(=O)Cn1ncc(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1C	797644850	DRPXKPAYRGFFGO-UHFFFAOYSA-N	414.356	4.666	50	20	HJGD	
CCO/C=C(/C#N)C(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br	799068428	DGZRZJLYSJDXBM-SSZFMOIBSA-N	419.344	4.792	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ncccc1Oc1ccccc1	799722484	IKWZZHLCHRCBLB-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCOC[C@@H]1c1nc2ccccc2s1	800629662	WEYBABXJLIGOBH-GOEBONIOSA-N	408.614	4.910	50	20	HJGD	
CCc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)c2c(CC(C)(C)C)noc2n1	800692346	SDBQOCMPQVEOTB-UHFFFAOYSA-N	421.423	4.545	50	20	HJGD	
Cc1ccc(-c2cncc(F)c2)cc1NS(=O)(=O)c1ccc(CCCl)cc1	800846660	SUJZXVKCEUAPEE-UHFFFAOYSA-N	404.894	4.778	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)NNc3cccc(F)n3)ccc2OC(F)F)cc1	806170681	YZCBEOQZXHZIOH-UHFFFAOYSA-N	418.375	4.646	50	20	HJGD	
COCCOCc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	809147981	ZHBXGIPYVZBUQG-LZYBPNLTSA-N	405.281	4.702	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CCCC[C@H]3CCCO)cc2)cc1	814705463	BZVHEDPWLAJSSY-FQEVSTJZSA-N	424.541	4.713	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(OC(F)F)cc1)c1csc(-c2ccccc2F)n1	815855439	RVFHXBHJHTVRMH-UHFFFAOYSA-N	421.444	4.972	50	20	HJGD	
COc1ccc(NNC(=O)CCc2cc(Br)cs2)c(C(F)(F)F)c1	816702621	VFVLWPHFXUAXNX-UHFFFAOYSA-N	423.254	4.614	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCCc1cnc(SC2CCCC2)nc1	816775395	SOBSKNAJJOOYPZ-QGZVFWFLSA-N	411.662	4.884	50	20	HJGD	
O=C1CC[C@@H](C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21	817014399	GWFAKYGWBLKHFO-OAHLLOKOSA-N	416.321	4.928	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccccc2OCc2ccccc2C)c1	818310075	DHWBFMQRANIOII-UHFFFAOYSA-N	405.523	4.514	50	20	HJGD	
Cc1cccn2cc(COc3ccccc3C(=O)NNc3ccccc3Cl)nc12	841253434	YCNWNVZFCDMYDT-UHFFFAOYSA-N	406.873	4.632	50	20	HJGD	
CCOC(=O)N1CCC(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	891296948	NJFGVEKAKJXEJF-HNNXBMFYSA-N	424.872	4.713	50	20	HJGD	
Cc1cc(C=NNC(=O)Cc2c[nH]c3ccccc23)c(C)n1-c1ccc(F)c(F)c1F	914691257	ACDAJQZDLRMIOA-UHFFFAOYSA-N	424.426	4.686	50	20	HJGD	
CC(C)OC(=O)/C(C#N)=C/c1c(-c2ccc(Br)s2)nc2ccccn12	917621939	LGFNCHRKHGCPDJ-FMIVXFBMSA-N	416.300	4.684	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@@H](CCc1ccccc1)c1ccccc1	918231350	GJHXLRYPDNDHFX-NRFANRHFSA-N	407.901	4.658	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccsc2)n1)c1ccc(F)cc1Br	920374095	XEYALYQSLIUYDA-UHFFFAOYSA-N	410.293	4.537	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2sc(Nc3ccc(C)cc3)nc2Cl)cc1	1317699554	VWJFXTFUUKVBFR-UHFFFAOYSA-N	400.891	4.621	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C)CCC2)cc1	1791360554	XCEAELOWBXWIGP-KRWDZBQOSA-N	419.319	4.509	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1	1814699240	JNXMQINRHGZASW-DOTOQJQBSA-N	410.990	4.883	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)[nH]n1	1815321240	RATCVNXJNZJNCZ-CRAIPNDOSA-N	420.916	4.571	50	20	HJGD	
CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)CC1	1827614608	PZRKJUOBOSDHOD-FRYIKTPZSA-N	414.993	4.603	50	20	HJGD	
CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@](C)(Cl)CCl)CC1	1830320308	VKVYSSYUEUASQS-WIYYLYMNSA-N	417.421	4.589	50	20	HJGD	
CCCc1ccc([C@H](NC(=O)NNC(=O)c2cccc(OC(F)F)c2)C(C)C)cc1	728598825	ODPPOLMEIFGLND-LJQANCHMSA-N	419.472	4.582	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C(=O)O)c1)C(=O)OC1CCCCC1	731664092	UFMJVTZKEGEXHK-CPNJWEJPSA-N	405.450	4.747	50	20	HJGD	
COc1ccccc1-c1cccc(NS(=O)(=O)c2ccc(CCCl)cc2)c1	732047628	WVVGZIFHVQAHLJ-UHFFFAOYSA-N	401.915	4.944	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)C(=O)N(C)c1ccccc1	732716339	OHSBJYNIPBPPJE-UYRXBGFRSA-N	404.901	4.772	50	20	HJGD	
CC1(C)CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1	732969242	VJAXTRSHZDVDFN-QGOAFFKASA-N	421.932	4.673	50	20	HJGD	
Cc1cc(NNC(=O)c2cn(C)nc2-c2ccccc2Cl)ccc1Br	734253428	XRIQBXWDSHMZDR-UHFFFAOYSA-N	419.710	4.568	50	20	HJGD	
O=C(NNc1nccnc1Cl)[C@@H](Sc1ccccc1Cl)c1ccccc1	734260702	GLIDFNNJMWZXRV-HNNXBMFYSA-N	405.310	4.760	50	20	HJGD	
N#Cc1ccc(OCc2cccc(C(=O)NNc3cccc(C(F)(F)F)c3)c2)cc1	734547723	UUMOGSWKAVMQOP-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC2(C(F)(F)F)CCCCC2)c1C	735249148	NKRQNLUIOLDNSJ-LZNAANCOSA-N	411.468	4.601	50	20	HJGD	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NNC(=O)C(C)(C)c1ccccc1	736660492	HLSHZKTZEMOEIN-FQEVSTJZSA-N	421.566	4.649	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cnc2ccc(Br)cn12	740764610	ZVFXFBRAVFUTTR-KPKJPENVSA-N	415.678	4.604	50	20	HJGD	
CCc1cc(NNC(=O)c2ccccc2SCC=C(C)C)nc(-c2ccccn2)n1	741285227	RQBDHVZZYJNYGI-UHFFFAOYSA-N	419.554	4.916	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C(=O)OC)cc2)c1C	741642126	VWCRRDCCQARMHL-XMHGGMMESA-N	407.514	4.511	50	20	HJGD	
C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	743287205	WLADPAHMFYDZKD-KWQFWETISA-N	424.794	4.995	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OC1CCCC1)c1cnn(-c2ccccc2)c1	743440128	ACGWKFSERJCGJS-UHFFFAOYSA-N	408.889	4.611	50	20	HJGD	
CCc1noc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)n1	744553248	FSFVKQFYXMKOKG-DAQNXSASSA-N	404.470	4.559	50	20	HJGD	
O=C(NCc1ccc(Cl)nc1)NNc1c(Cl)cc(Br)cc1Cl	745648542	FCIIPSWVJVROAY-UHFFFAOYSA-N	424.513	4.631	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(C)c1	746821540	PBUAFNCXUICCMX-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
CCN(Cc1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1)C(C)C	748694565	OVTPXNJZNIMMPV-UHFFFAOYSA-N	409.452	4.615	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2cc(Cl)ccc2Cl)nn1-c1cccc(F)c1	752810791	VHSSVZGAMPJGHU-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCN(C[C@@H]2CCOC2)CC1	752976118	FCNVHFNKUZXWOH-ZDUSSCGKSA-N	415.428	4.530	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2cc(CCC(C)=O)ccc2OC)c1C	756027792	BSVIXJSOWPQLND-STZFKDTASA-N	408.498	4.558	50	20	HJGD	
CC[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CC[C@@H]1NC(=O)OC(C)(C)C	757365464	QTFALEMUJIWXSO-IKGGRYGDSA-N	416.653	4.852	50	20	HJGD	
COc1cc(CN(C(=O)[C@@H](Br)C(C)(C)C)C2CC2)ccc1OC(F)F	766998935	LNPHQBPCAGSSDV-OAHLLOKOSA-N	420.294	4.597	50	20	HJGD	
O=S(=O)(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(CCCl)cc1	768558836	LKVWYIPWCZEXOS-MRXNPFEDSA-N	409.832	4.579	50	20	HJGD	
Cc1ccc(NC(=O)NNc2c(F)cccc2Cl)c(-c2nc(C3CC3)no2)c1	771166932	ZWDLULQAHTZHAQ-UHFFFAOYSA-N	401.829	4.864	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CC4(CCC4)C3)s2)cc1	772844662	PRQVBTZDSKAIBM-UHFFFAOYSA-N	418.613	4.667	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccn(CC(F)(F)F)n2)c(C)n1C1CCCCC1	773115917	KDOSGDWQCBHVED-BOPFTXTBSA-N	419.451	4.915	50	20	HJGD	
O=C(NC[C@@H]1COC2(CCCC2)O1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	774025834	NTLDLMJQJOGTJF-BXUZGUMPSA-N	424.872	4.713	50	20	HJGD	
CC(=O)N1CCC(=NNC(=O)Nc2ccc(-c3ccccc3)cc2)c2ccccc2C1	778541541	LKLUCOFYRZQINX-UHFFFAOYSA-N	412.493	4.632	50	20	HJGD	
Cc1cc(Br)cc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1	782820211	BCXCQDDFOARNKT-UHFFFAOYSA-N	424.298	4.566	50	20	HJGD	
Cc1c(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cccc1C(F)(F)F	782820940	GRSHXDMBODIFFK-UHFFFAOYSA-N	413.399	4.822	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ccccc2OC(F)(F)F)cc1C(=O)N(C)C(C)C	786064040	LUNIUNUGWXFYLU-UHFFFAOYSA-N	424.423	4.523	50	20	HJGD	
COc1ccc(NNC(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)nc1	789359759	ZCTUOUBFFJMIIJ-UHFFFAOYSA-N	404.257	4.608	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccc(-c2nc3ccccc3o2)cc1	790483086	ICFUYGYMKITKMI-UHFFFAOYSA-N	407.361	4.691	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cn(Cc2ccccc2)c2ccccc12	805376244	PVUZLGFWVXIETP-UHFFFAOYSA-N	400.438	4.663	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2Br)nn1)C(=O)c1cc2ccccc2o1	811687935	KLGVTEDXQAZLSQ-NTEUORMPSA-N	419.238	4.566	50	20	HJGD	
Cc1csc([C@H](NC(=O)NNc2ccc(Br)cc2Cl)C2CC2)n1	812059906	UDPAJDPWTUNTLE-CYBMUJFWSA-N	415.744	4.645	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NNc1cccc(Cl)n1	817008694	DILQTORESNEROA-UHFFFAOYSA-N	424.719	4.530	50	20	HJGD	
CC(=O)c1ccc(CC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	817017098	YBSXPIQPPPCVFP-UHFFFAOYSA-N	404.310	4.613	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3cccnc3)c2C)cc1	843348542	JNNAYEOVKKSIFC-SDLXJUDFSA-N	414.509	4.672	50	20	HJGD	
COc1cc(C)c([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1OC	915868969	IWBAYZGWRXKATO-UTYYKHSJSA-N	423.557	4.871	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cccc4c3OCCO4)n2)c1	917517721	RQJNWZDLUIISTF-GZTJUZNOSA-N	417.490	4.744	50	20	HJGD	
C=CCN(Cc1ccccc1F)C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	918171265	WSNXKRKTXSFBNI-CLMUKVTESA-N	421.516	4.545	50	20	HJGD	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	1116461296	JWCMXLDBGQMAMN-DHDCSXOGSA-N	421.346	4.576	50	20	HJGD	
Cc1c(/C=C(\C#N)c2nnc([C@H](C)Oc3ccc4ccccc4c3)o2)cc(C#N)n1C	1257770122	ZKBRPZIEYMNWQK-UWSDUSPXSA-N	409.449	4.946	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1Cl	1317704709	YHGANHAIPFHMAI-UHFFFAOYSA-N	404.209	4.926	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2c(C(C)(C)C)nn(-c3ccccc3)c2Cl)cc1	1319617266	QLRLJPOADNXIFC-UHFFFAOYSA-N	410.905	4.596	50	20	HJGD	
Cc1ccc(NNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)cc1Cl	1323316536	AFEGSMORQRCGNY-UHFFFAOYSA-N	409.902	4.715	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1	1790465202	KDWXHLZWNCPQBC-CVEARBPZSA-N	419.363	4.508	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3cccc4ccoc34)CC2)C1	1806165033	RQABKSMOMLUTSG-IBGZPJMESA-N	416.949	4.685	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1O	7164757	DVWVOMZVDZNKSP-SFQUDFHCSA-N	416.433	4.747	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc(OC)c3ccccc23)cc1	15717686	QNENVQZLOCQGDS-UHFFFAOYSA-N	407.539	4.822	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(F)c(Cl)c1)c1sc2ccccc2c1Cl	16185217	AMBCTBIFMBABGF-UHFFFAOYSA-N	414.314	4.979	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2C)cc1Cl	16439989	BBCIQJNWAIWMOF-LFIBNONCSA-N	406.873	4.697	50	20	HJGD	
Cc1cccc(NNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)c1	195630847	BJKBLMPXKLJDAM-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@H](c1ccc(Cl)cc1)C1CCCC1	729616401	VLIJVVMJSAGLGJ-IBGZPJMESA-N	417.962	4.766	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1)c1ccccc1	732447569	GGSXABVRCVQMEB-WMZHIEFXSA-N	415.537	4.731	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2OC(C)C)c1C	735637538	JECFTWDUGRHXFO-PDGQHHTCSA-N	415.921	4.738	50	20	HJGD	
CC[C@H](c1ccncc1)N(CC)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	739660958	NBCRIKOOFKIDNY-XZWFBABRSA-N	408.546	4.614	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)N(CC)CC)cc2)c1C	741597412	NEISZUJOWIEMHM-JWGURIENSA-N	421.541	4.900	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1C#N	741847336	FKSZQPZRGDKCIL-OQLLNIDSSA-N	420.881	4.889	50	20	HJGD	
N#Cc1cccc(NNC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	745920334	AQEHIQUUTJQWHV-UHFFFAOYSA-N	417.416	4.527	50	20	HJGD	
Cn1c(C(=O)NNc2cccc(Br)c2)cc2cc(C(F)(F)F)ccc21	748020382	VCPVENCQANVZBC-UHFFFAOYSA-N	412.209	4.717	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(F)cc([N+](=O)[O-])c1Br	748511669	LERWCVBLCXXJPJ-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OC(F)F)cc2)c2ccc(Br)cc2n1	748660183	ZUGHZEXSAXGZKW-UHFFFAOYSA-N	422.229	4.664	50	20	HJGD	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NNc1cccc2cnccc12	748754096	GSXITSOVHGCPLZ-UHFFFAOYSA-N	424.913	4.989	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@H]([C@@H]2CCOC2)C1	750282990	DNGHILOKWTYCIZ-ZOWXZIJZSA-N	408.873	4.796	50	20	HJGD	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NNc1cc(Cl)ccc1Cl	752811712	ZUWHKAOHYCKHPL-UHFFFAOYSA-N	412.276	4.605	50	20	HJGD	
CC[C@@H](C)c1ccc([C@@H](NC(=O)NNC(=O)c2ccc(C)o2)c2cccs2)cc1	752841083	SBMGMCXACVDBIM-JLTOFOAXSA-N	411.527	4.897	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)c1	753074669	GBCRFVCUXUXGTI-UHFFFAOYSA-N	421.328	4.652	50	20	HJGD	
O=C(Cc1csc(Cc2ccccc2)n1)NNc1cc(C(F)(F)F)ccc1F	754153811	OCQJKTCROHAJEY-UHFFFAOYSA-N	409.408	4.578	50	20	HJGD	
CC[C@@H](C)Oc1ccc(NC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1	756204650	PHCXECZNNSUABU-MRXNPFEDSA-N	423.469	4.502	50	20	HJGD	
Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762605301	KMRMWGDANSGMKU-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1	764263314	CQGNRPKINHPLBO-UHFFFAOYSA-N	403.198	4.721	50	20	HJGD	
Cc1ccc2cccc(NC(=O)C(=O)NNc3c(Cl)cc(Cl)cc3Cl)c2n1	766261617	FYFGTGAQMLXXCJ-UHFFFAOYSA-N	423.687	4.585	50	20	HJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ncc(Cl)cc1Cl	775271133	ANINCSNZQPCJCY-UHFFFAOYSA-N	406.191	4.729	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ncc(Cc2cc(F)cc(F)c2)s1	775458374	MJDBZCVKRKEPDM-UHFFFAOYSA-N	411.437	4.709	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCC[C@H]2c2ncc[nH]2)c(C)n1C1CCCCC1	776469590	RDOUOEJUKFQARV-BARSGRSVSA-N	405.546	4.994	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1cccc(Oc2ccncc2)c1	779430815	QKOLXWDCFMAIFJ-UHFFFAOYSA-N	404.348	4.921	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1	782448897	XJXKQEXDHWVTGB-LWLPBDFMSA-N	409.829	4.610	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	782714173	WLUDMZGXMYLBFD-UHFFFAOYSA-N	423.363	4.880	50	20	HJGD	
COc1ccc(N(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cn1	782980881	ZAGIJXDHBOIFGW-UHFFFAOYSA-N	404.382	4.573	50	20	HJGD	
O=C(CCCc1ccsc1)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	783035795	LROLVURTUAHMBX-UHFFFAOYSA-N	421.897	4.761	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1-c1ccccc1	783371727	OWOMKCSLOMXIAI-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
CC(=O)N(c1nc(COC(=O)/C(C#N)=C\C2CC2)cs1)c1c(C)cc(C)cc1C	786673888	MIPBRRBNBBPSLP-NVMNQCDNSA-N	409.511	4.656	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1	787540918	NKUUIIOVXRXHPU-QMDZLVRISA-N	412.873	4.539	50	20	HJGD	
CN(c1ccc(NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc1F)C1CCCCC1	789704693	DYUDABNPLICQME-UHFFFAOYSA-N	423.492	4.585	50	20	HJGD	
COCCN(C)c1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1	790216140	STHUUUMSGAPWBF-NTEUORMPSA-N	418.444	4.857	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(NC(=O)N(C)C)ccc2C)c1C	798084301	YTGKCFQJOIFHQM-DEDYPNTBSA-N	421.545	4.853	50	20	HJGD	
CN(C)C(=O)Sc1cc(NC(=O)[C@H](Br)C(C)(C)C)ccc1Cl	805434484	PTZJLSGVGWLTGK-LBPRGKRZSA-N	407.761	4.862	50	20	HJGD	
N#C/C(=C/c1ccccc1I)c1cc(C(F)(F)F)ccn1	812248128	FCZXYVHOQMSUIH-XFFZJAGNSA-N	400.141	4.769	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cnc(C2CC2)nc1	814632836	BXKTYTSBPNPSLY-UHFFFAOYSA-N	405.302	4.540	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)Nc1sc2c(c1C#N)CCC2	853000348	KQEBDJGIBUVBKY-CHWSQXEVSA-N	424.613	4.693	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2noc(-c3cccs3)n2)c(C)n1CCC(C)C	913261669	NCSROHUQLDLNFW-WOJGMQOQSA-N	424.526	4.913	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc4c(c3)CCC(=O)N4)c2C)c1	914736715	IXGSQDZHXMZMON-FYJGNVAPSA-N	424.504	4.833	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)c1ccc2ccccc2n1	916244015	GFMXLIRLOWAZHK-UHFFFAOYSA-N	417.900	4.514	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ncc(-c3ccccc3)o2)c1C	918114406	IZRHBOFNFOPSCS-BKUYFWCQSA-N	402.498	4.783	50	20	HJGD	
CC(C)CC[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918238947	FIXSMIMEDFGWAS-MEDUHNTESA-N	410.889	4.785	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(F)cc2F)c(C)n1C[C@H]1CCCO1	918952162	GGBUYKDKCOBARE-TWARNOMTSA-N	414.452	4.774	50	20	HJGD	
O=C(NNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)c1ccccc1Cl	1116921212	ZUEUJSQXVVYUJP-UHFFFAOYSA-N	408.672	4.717	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)nn1	1318589769	RKWXDYIKMPSYPA-RTWAWAEBSA-N	416.525	4.600	50	20	HJGD	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Br)CCC2)cc1	1786104265	IJBPPJWQUGWKDV-HNNXBMFYSA-N	419.363	4.672	50	20	HJGD	
C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](Cl)CCC)CCC2)cc1	1786364155	CWKVKQISHKIHDB-LJQANCHMSA-N	406.954	4.511	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3)cc2)CCC1	1788460151	PLSIEWJJMPXCLJ-UHFFFAOYSA-N	424.932	4.527	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3Cl)CC2)C1	1806163614	VFIRFGRCOHTTKR-GOSISDBHSA-N	411.373	4.592	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(OC(F)F)c2)c1C	303595916	TZKQWZRGYBCXMR-FNMPFJKNSA-N	417.456	4.768	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1Cl	730434345	KBVHXWYYGRRCNV-JYRVWZFOSA-N	421.280	4.873	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3ccccc3C(F)(F)F)cs2)cc1OC	730596452	UIWOIVZOAOKXMR-UHFFFAOYSA-N	423.416	4.603	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc2nc(C(F)F)[nH]c2c1	733807781	FTBIOEHVCYRCDL-UHFFFAOYSA-N	415.625	4.673	50	20	HJGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	734257623	IGIMKQPZWMFQLV-AWEZNQCLSA-N	407.440	4.607	50	20	HJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2csc(N(C(C)=O)C3CC3)n2)cc1	734305980	IWBJOUINRZKDCG-SWEABUAFSA-N	408.527	4.718	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1C	738507808	XAMIVKNGIZDLDN-UHFFFAOYSA-N	415.522	4.550	50	20	HJGD	
COc1cc(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c(SC)cc1OC	741159964	HXDZABITKBYUNX-UHFFFAOYSA-N	423.538	4.597	50	20	HJGD	
Cc1ccc2c(CC(=O)NNc3c(F)cc(F)cc3Br)coc2c1C	741981599	RSKRQMYUJYCCOM-UHFFFAOYSA-N	409.230	4.776	50	20	HJGD	
Cc1ncc(/C=C\C(=O)NNc2c(Cl)cc(Br)cc2Cl)s1	742006011	NEOOHMXMNZABPQ-IHWYPQMZSA-N	407.120	4.677	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3coc4ccccc34)cc2)n1	746559104	SYJZLNFVDZBWKU-UHFFFAOYSA-N	416.506	4.896	50	20	HJGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1ccc(F)cc1Br	748077217	JESBXEUZLNDICO-LBPRGKRZSA-N	405.189	4.768	50	20	HJGD	
N#Cc1ccc(NNC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)cc1	748100821	ABWLTLFJXVTABZ-FQEVSTJZSA-N	422.282	4.584	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3cccc([N+](=O)[O-])c3C)c2c1	748682461	BUYBNHSBXFLZQQ-UHFFFAOYSA-N	413.437	4.579	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	756032395	TXNARAWLNAPIKV-ZDUSSCGKSA-N	424.353	4.747	50	20	HJGD	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NNC(=O)c1ccc(Cl)nc1	756344927	UVNWIAYHBMLAMQ-OAHLLOKOSA-N	424.888	4.650	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccc(CCC(F)(F)F)cc1	757615319	XVDSMVBRWQMTAB-UHFFFAOYSA-N	417.387	4.507	50	20	HJGD	
C=CC(=O)Nc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)ccc1F	758277702	UUSVWALHOVKEAU-XDHOZWIPSA-N	422.504	4.960	50	20	HJGD	
CCCOc1cc(F)ccc1NC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	760194437	OWQKMZJJRGLUPM-VXIUPONVSA-N	413.493	4.786	50	20	HJGD	
NC(=O)c1cccc(OCCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762519033	QRESRPYSQCJJBZ-UHFFFAOYSA-N	410.364	4.851	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1cccnc1Nc1cccc(C(F)(F)F)c1	765993444	OICZARDTFVFDQO-UHFFFAOYSA-N	424.386	4.544	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc(Br)c1O	766780223	VXUOYRBITLQHSZ-MLPAPPSSSA-N	419.231	4.534	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@H](Br)C(C)(C)C)c1	767939479	CSQCWPKDSKEPBQ-ZDUSSCGKSA-N	403.292	4.921	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C#N)c1)C(=O)c1cccc2c1OCCO2	771514698	VBGLUDCGTBJTJX-FYJGNVAPSA-N	422.440	4.698	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1	772861355	VRZBBHLLJICTPC-UHFFFAOYSA-N	404.442	4.687	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cccnc1SCc1ccc(F)cc1	775264313	JPPICZVRAUQZFC-UHFFFAOYSA-N	422.407	4.684	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(F)cc(Cl)cc2F)c1C	775498695	ANNFTQYOPUHEKJ-FVTUNSQFSA-N	407.848	4.790	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c(-c2ccc(C#N)cc2)n1	777869934	QQMWRFHHLOSDJZ-OQLLNIDSSA-N	422.275	4.811	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2cc(Cl)ccn2)cc1	778447495	ZKVJBXDVBWDHTG-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1ccc(CSc2nc3ccccc3s2)cc1	781365405	KIEXTQWXHWQSDE-UHFFFAOYSA-N	410.499	4.880	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F	781368101	KQOGMHVYZZGDKG-HZPDHXFCSA-N	407.523	4.653	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1cccc(CSCc2ccccc2)c1	783444055	BSBWFMIDSXLSOF-UHFFFAOYSA-N	423.513	4.649	50	20	HJGD	
COc1cc(NNC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)ccc1Cl	790186246	AETADWQMFWMFEW-UHFFFAOYSA-N	403.269	4.524	50	20	HJGD	
CC(C)(C)[C@@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO1	790454707	GKQGWHMHNNNRTR-ZDUSSCGKSA-N	409.442	4.780	50	20	HJGD	
N#Cc1ccc(CSc2ccccc2C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1	791076446	PSXVDCQOKWHWDN-UHFFFAOYSA-N	422.441	4.655	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccco1	791718592	RZFATEKOKLPQBT-UHFFFAOYSA-N	404.253	4.904	50	20	HJGD	
O=C(NNc1nccc2sccc12)C(=O)Nc1cc(-c2ccccc2)ccc1Cl	792352853	HIKIYBYRORMNPN-UHFFFAOYSA-N	422.897	4.699	50	20	HJGD	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)NNc1ccc(F)cc1F	793705572	DKJMCHNTNNDBMB-UHFFFAOYSA-N	422.229	4.702	50	20	HJGD	
C[C@H](c1ccccc1)[C@H](NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C(N)=O	794716068	ATEUJFXJUSEIMR-GCJKJVERSA-N	412.650	4.956	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(N(C)c3ccccc3)nc2)cc1	797787681	ZBKMDRKQLAXSBK-CQHJRZBDSA-N	412.493	4.642	50	20	HJGD	
CC(C)(C)c1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc(C(C)(C)C)c1O	803428670	LSFSTRLRQYMKQA-UHFFFAOYSA-N	407.514	4.586	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)c1OC	806554676	XPEASBXPLYFSNP-GXDHUFHOSA-N	404.438	4.873	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)cc(Cl)c1Br	807037460	RFCQBNMQBKGBLE-UHFFFAOYSA-N	414.634	4.643	50	20	HJGD	
COc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c(C)c1C	809191413	WBBYDIBRLNKXJM-ATEMXAKRSA-N	421.541	4.763	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ccccc3)c(C)n2)c1C	811605815	LAGOGAOQNRNJCP-JCMHNJIXSA-N	414.509	4.667	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1C[C@]2(CCCO2)[C@@H]1C1CC1	815104047	BFLIWKHSNINASJ-LSDHHAIUSA-N	419.437	4.676	50	20	HJGD	
Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)c1	914527194	NYDOVBPDFJXCJH-HNNXBMFYSA-N	401.495	4.503	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2ccc(N3CCCCC3)s2)cc1OC	916347768	LBRXXASXGJAUDU-UHFFFAOYSA-N	415.559	4.690	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)ccc1OCc1cccs1	917623778	NLTNWAJLUCZHLV-MFOYZWKCSA-N	419.458	4.854	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc(Cl)nc2)c(C)n1-c1ccc(F)cc1	917724490	ZLUYRJCMMPSAPX-ZDLGFXPLSA-N	408.864	4.505	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1C	921015036	YXQLRWSDZPNWHW-OSVNEOKWSA-N	407.558	4.531	50	20	HJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3cncc(Br)c3)c2c1	1319631497	SRUPAKRISYMDIB-UHFFFAOYSA-N	411.303	4.643	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1ncc(Cl)s1	1321478624	KHCVCRLEIVLEBK-UHFFFAOYSA-N	401.500	4.623	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(COc3ccc(C)c(C)c3)o2)c1C	1326082458	JICZSWFUCBQQLY-PGNNWUFWSA-N	420.513	4.955	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)CCC1)C(Cl)Cl	1785858233	COBCSBYVPZSLES-UHFFFAOYSA-N	417.336	4.656	50	20	HJGD	
C[Si](C)(C)OCC(=O)Nc1ccc(C2(NC(=O)CC3CCCC3)CCC2)cc1	1789648536	OBWRXGZPDKDHIM-UHFFFAOYSA-N	402.611	4.552	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4ncccc4[nH]3)cc2)CCC1	1790840799	DZYNGWQUWMWZQJ-KRWDZBQOSA-N	424.932	4.718	50	20	HJGD	
CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCBr)C2	1795537685	YVPWIPKOJOZOQG-BCDXTJNWSA-N	415.416	4.550	50	20	HJGD	
CCCCCc1ccc(/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](F)Cl)cc1	1796803892	CTEWSELTMNHLGN-TZBYOJGCSA-N	420.956	4.605	50	20	HJGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-c1ccc(C)cc1	1800605062	PYYLWPMYGGAWOQ-VLVHOKLOSA-N	424.972	4.931	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)[nH]n1	1815321643	DTIXHJSDFNUZSF-PKOBYXMFSA-N	416.953	4.740	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)cccc2F)n[nH]1	1823122308	OLAPOPJRUINKCC-WMLDXEAASA-N	420.916	4.571	50	20	HJGD	
Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c(F)c1	1824013875	ADYDKIDFHHXLJX-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C)cc2)CC1	1824614672	PICCYPLNCRBDLS-FCHUYYIVSA-N	419.009	4.565	50	20	HJGD	
Cc1cccc(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1830640500	SGTILWUSGBNTAI-HXUWFJFHSA-N	419.009	4.802	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cc2c(s1)-c1ccccc1CC2	26857844	YVCUMEKFMDQKEG-UHFFFAOYSA-N	413.955	4.799	50	20	HJGD	
Cn1ccnc1SCc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)o1	71885391	KNLLVMIEHYDHPR-UHFFFAOYSA-N	418.522	4.657	50	20	HJGD	
CCOC(=O)c1oc2ccccc2c1CNC(=O)CCCC[C@@H]1CCSS1	727858045	TZHTWUUQUOGZFV-CQSZACIVSA-N	407.557	4.940	50	20	HJGD	
Cc1cc(Cl)ccc1O[C@H](C(=O)NNc1oc(C(C)C)nc1C#N)c1ccccc1	730215703	JQSUPENCZSUDNK-IBGZPJMESA-N	424.888	4.895	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1C	731332114	DIXMYUDHKTYJIL-LCJWNIEWSA-N	422.554	4.691	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1cnnc2ccccc12	733813489	RSVOAXSCJSSTJE-UHFFFAOYSA-N	420.476	4.548	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](C)c2cccc(Cl)c2Cl)c2ccccc2n1	735584823	SDTOLTJLOWZBFR-GFCCVEGCSA-N	417.296	4.555	50	20	HJGD	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	737542040	DRBTZXYWSKYTJW-SNVBAGLBSA-N	419.230	4.652	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)c1C	742012090	HTTFUVSRMIFYCE-DICZEVPMSA-N	407.558	4.584	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)cc1	743301057	RBUGHZPKDUBURZ-QBFSEMIESA-N	423.460	4.525	50	20	HJGD	
CC[C@@H](C)c1ccc(-c2cc(C(=O)NNC(=O)NC(C)C)c3ccccc3n2)cc1	745146364	OZOAFAFNPKFGBP-MRXNPFEDSA-N	404.514	4.768	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NNC(=O)CCOc1ccccc1	747051423	LTTASKHZJRFIPE-UHFFFAOYSA-N	424.504	4.767	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(-c3cscn3)cc2)c1C	750750930	ADOLNPAZTLTWBU-HSGPEQJXSA-N	421.522	4.948	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H](Cn2ccnn2)C1	752981559	SDBSPCUPVMTIMC-GFCCVEGCSA-N	411.400	4.880	50	20	HJGD	
CCn1nccc1/C=C(\C#N)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	753683546	UJXMHHPRHARMTC-FOWTUZBSSA-N	410.424	4.702	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)[C@@H](Sc1ccccc1F)c1ccccc1	766678601	INOWZHOPOVYXCV-KRWDZBQOSA-N	410.499	4.807	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1cccc(-c2cccnc2)c1	768475884	DMLAKBQJBPKUMJ-UHFFFAOYSA-N	407.473	4.945	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	771884324	HZDAQHZNEOBFQH-UHFFFAOYSA-N	413.321	4.898	50	20	HJGD	
Cc1cc(C[C@@H](C)NC(=O)CCCC[C@@H]2CCSS2)n(-c2ccccc2)n1	773089950	KAZGIQDUIXXDBU-OXQOHEQNSA-N	403.617	4.942	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c(OC)c1OC	773159246	HTXOKXRSWRXGCB-JYRVWZFOSA-N	409.335	4.660	50	20	HJGD	
CO[C@]1(C)C[C@@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1(C)C	773354206	WBRQLAHEFMNGBV-MLGOLLRUSA-N	416.412	4.602	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ncc(Cl)cc2Cl)c1	775276001	VZHNQNRZRQNVHL-UHFFFAOYSA-N	415.708	4.783	50	20	HJGD	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)NNc2ccc(C(F)(F)F)cn2)s1	775610221	MEZRGSILVPRJOO-ZDUSSCGKSA-N	422.436	4.642	50	20	HJGD	
Cc1[nH]nc2ncc(NS(=O)(=O)c3cccc(S(F)(F)(F)(F)F)c3)cc12	777677229	IOOWAFRHXWDLJB-UHFFFAOYSA-N	414.381	4.725	50	20	HJGD	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)CCCCCl)c1	780837798	VMBJKPYWCLRAEH-NHCUHLMSSA-N	407.963	4.575	50	20	HJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)ccc1OC	787153874	GTMJQZFEHDPWGZ-FQNYJXRJSA-N	408.498	4.665	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(-c2ccccc2C(F)(F)F)o1	789827129	JBPZBPRPGFZYHX-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(Br)c(C(F)(F)F)c2)ccc1Cl	790186758	IDKPWCRHROEOSP-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C)n1C[C@H]1CCCO1	798017528	QJXGRDROGPTUPV-NAUOEASUSA-N	423.944	4.517	50	20	HJGD	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806834832	GSJCCLKRPWZLIX-FQEVSTJZSA-N	418.522	4.508	50	20	HJGD	
Cc1cc(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)c1OC(F)F	812244540	DHHDOVYMWUMXKF-VZUCSPMQSA-N	410.174	4.726	50	20	HJGD	
Cn1cc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c(C2CC2)n1	813025342	MXTLCBUPTKOHTB-UHFFFAOYSA-N	410.368	4.532	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ccncc3)c(C)c2)c1C	816834100	GDAVIZOLDQWKNR-JCMHNJIXSA-N	414.509	4.667	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2ccco2)on1	817013735	AHHJAYIFDKYMLZ-UHFFFAOYSA-N	405.254	4.729	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccsc2NC(=O)c2ccc(CC)cc2)cc1	817885740	MOSAXRPOOXPPGY-UHFFFAOYSA-N	409.511	4.718	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(C(F)(F)F)ccc2Br)cc1	817900163	XAWQGFKXJBBEHP-UHFFFAOYSA-N	403.198	4.624	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)OC)cc2)o1	915846495	WGVJYQTWXXSLLE-JXAWBTAJSA-N	416.433	4.678	50	20	HJGD	
COc1cc(C)c([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1OC	915868968	IWBAYZGWRXKATO-PGNNWUFWSA-N	423.557	4.871	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3oc(C(=O)OC)cc3c2)c1C	916078705	OVDWEASQFCYNLH-VCHYOVAHSA-N	405.454	4.593	50	20	HJGD	
CCC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(O)cc1	916293681	AHCNZWYXWSSFLO-UHFFFAOYSA-N	420.538	4.635	50	20	HJGD	
CC(C)c1cccc(NC(=S)NNC(=O)c2ccc(COc3ccccc3)o2)c1	917573104	XJDMSAPHJKHJDU-UHFFFAOYSA-N	409.511	4.613	50	20	HJGD	
Cc1ncc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1	919878998	AEERQRRVHWCROY-RQZCQDPDSA-N	410.930	4.736	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1Cl	1337236234	GOCAZVKEDXZNNF-UHFFFAOYSA-N	402.882	4.550	50	20	HJGD	
C[C@@H](CBr)C(=O)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1	1786259383	PKEROXQYABNAMG-HNNXBMFYSA-N	421.379	4.732	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)cc1F	1790262761	NSNMKBTUEJZFRB-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
C[C@H](C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cccs1	1791815094	XGJMKJLUYLPOOU-LBPRGKRZSA-N	411.354	4.789	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)[nH]n1	1815326848	QZCASPQCKYVNCX-AYBZRNKSSA-N	416.953	4.613	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(C)c2C)n[nH]1	1816613052	VHUGRQFYOWMWPY-DOTOQJQBSA-N	422.982	4.801	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2)n[nH]1	1820497449	ODCICPUCFSDTRH-INIZCTEOSA-N	423.344	4.634	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1	1820897702	FGEOLGRXQWKHCC-OFHUKCQUSA-N	406.958	4.556	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)cc1F	1829964127	TVPUXUOQANVLET-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1	1832386649	UVYLFKYZAGXQKL-LXYWVVSTSA-N	423.041	4.984	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OCc2ccc(Cl)cc2)c(-c2ccccc2)n1	5627276	PTUDJTARZGZSKO-CPNJWEJPSA-N	416.868	4.768	50	20	HJGD	
N#C/C(=C\c1cccc2ccccc12)c1nc2ccc(Br)cc2c(=O)[nH]1	5646923	HPUYZYJIHLGYEH-XNTDXEJSSA-N	402.251	4.903	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)o2)cc1	5710481	HKWPCHQLRZCMHR-GHRIWEEISA-N	404.397	4.808	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1	7634934	BCIFRJVIQLAWJA-GMYFBSLISA-N	406.482	4.686	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1	97491969	SVQRSUHLAULFLC-NDENLUEZSA-N	411.914	4.789	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OC)c1	107661857	YYNKNIFUEDIMLI-ZHZULCJRSA-N	414.461	4.828	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1nccs1	211662147	JZDGZSAKNYDOOY-UYRXBGFRSA-N	411.490	4.601	50	20	HJGD	
COc1c(Br)cc(/C=C(/C#N)C(=O)CC(C)C)cc1Br	726118905	RYYPWQSSSNEHPP-WZUFQYTHSA-N	401.098	4.742	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)NC1CCC(c2ccccc2)CC1	727846725	JRRPFHPYIBRDDT-UHFFFAOYSA-N	406.313	4.664	50	20	HJGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1	728784467	DXQRUSKDQXTRGC-UHFFFAOYSA-N	420.812	4.676	50	20	HJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)Cn1ccc2ccccc21	729637534	DKVJQYHWERHJFY-UHFFFAOYSA-N	419.916	4.754	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2C#N)c1	731320083	UWMLYGKGDRWTTH-FYJGNVAPSA-N	409.445	4.692	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)CCCCc1ccc(Br)cc1)c1ccccc1	731996782	FDGWGZWDHCCTJW-LJQANCHMSA-N	417.347	4.503	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](C)C#N)c(C)n1-c1cc(Cl)ccc1Cl	732111578	PGLHQOVZVWXHQV-VQZCYCSMSA-N	401.297	4.584	50	20	HJGD	
Cc1nc2c(s1)[C@H](N(C)CCP(=O)(c1ccccc1)c1ccccc1)CCC2	732213251	AEJQOJYOXYZWHI-JOCHJYFZSA-N	410.523	4.775	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1	733808157	TVISZNICDDFXSW-UHFFFAOYSA-N	410.611	4.514	50	20	HJGD	
Cc1cc(NNC(=O)c2ccccc2C(=O)c2ccccc2)ccc1Br	734254392	ZPVPXGGJGFKDCN-UHFFFAOYSA-N	409.283	4.745	50	20	HJGD	
N#Cc1ccc(OCc2cccc(C(=O)NNc3ccc(Br)cc3)c2)cc1	734547151	JXLDSKLPWNUQPU-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	740511048	XFIOLYAVVHWORP-AEMSQSNESA-N	422.900	4.785	50	20	HJGD	
CCc1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)on1	741191733	UXTNSZDLEIJLRC-LICLKQGHSA-N	408.889	4.521	50	20	HJGD	
C=C(C)COc1cc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)ccc1OC	747040671	CHCRPXNWZWMIRA-UHFFFAOYSA-N	421.522	4.846	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C(F)(F)F)ccc2Cl)cc1OC	753682101	AJNTYXXVUCVACO-KPKJPENVSA-N	410.779	4.922	50	20	HJGD	
CCOc1ccc(-c2nc(COC(=O)/C(C#N)=C\c3ccc(O)cc3)cs2)cc1	754551138	USZAVSVRRVUPKT-BOPFTXTBSA-N	406.463	4.565	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cccnc1SCC1CCCCC1	755859286	DEDKXFWWBAVMNS-UHFFFAOYSA-N	416.494	4.986	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2OCC(F)F)c1C	762385036	FPRKEWBTTHMSAS-YQYFLZKSSA-N	417.456	4.502	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cnn(Cc3ccccc3Cl)c2)c1C	767901461	YFYRYMYTCRSEQC-JAIQZWGSSA-N	404.901	4.979	50	20	HJGD	
Cn1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c(C(C)(C)C)n1	768947749	BFCVKFRMYUUPEM-UHFFFAOYSA-N	420.138	4.544	50	20	HJGD	
CCn1ncc2ccc(NC(=O)NNc3ccc(Br)cc3Cl)cc21	769986768	SVKZAJOGGMLMIK-UHFFFAOYSA-N	408.687	4.621	50	20	HJGD	
N#Cc1cccc(Oc2ccc(NC(=O)NNc3ncc(Cl)cc3Cl)cn2)c1	775506578	BYGYOJGTIURJMH-UHFFFAOYSA-N	415.240	4.596	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1cccc(CN2CCCCC2=O)c1	775586245	ONELDSVOGSHYOB-UHFFFAOYSA-N	407.301	4.655	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NNc1ccc([N+](=O)[O-])cc1Br	779146106	SDSUDYZPHYVDHG-LLVKDONJSA-N	420.354	4.515	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc(Br)cc2Cl)cc2cccnc12	783845037	DJFWEGVXKZZXHQ-UHFFFAOYSA-N	402.679	4.723	50	20	HJGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)cc1Cl	784803581	PHIBYGDJGZRMAL-UHFFFAOYSA-N	403.910	4.507	50	20	HJGD	
Cc1cc(C(=O)COC(=O)/C(C#N)=C/c2ccccc2)c(C)n1Cc1cccs1	785364450	NUWHHNWQTDTJHX-XDHOZWIPSA-N	404.491	4.548	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCOC[C@@H]2[C@H]2CCCC2=O)cc1	792876941	FSMINOSELLUSMQ-NHCUHLMSSA-N	403.639	4.778	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(F)c(F)cc1C(=O)c1ccccc1	793714238	ZFBFYIVTRPFMAN-UHFFFAOYSA-N	404.775	4.745	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1	794687019	DWGJBPQMASMABN-CLXYIWAZSA-N	410.399	4.675	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1-n1cncn1)c1nc(-c2ccc(C#N)cc2)cs1	794937480	JEQKBFWXUNLNGH-IDUWFGFVSA-N	414.881	4.980	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1Oc1ccccc1	806672690	KURQMNBPFIYWLA-MRXNPFEDSA-N	414.465	4.708	50	20	HJGD	
O=C(NNc1cccc(F)n1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	806786127	XDJGYRBBORDCTQ-UHFFFAOYSA-N	412.277	4.723	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	819711349	USWFBIFIPBFVPW-UHFFFAOYSA-N	415.424	4.584	50	20	HJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1	916132640	MSDZTLYZGFXBAK-AQTBWJFISA-N	404.495	4.930	50	20	HJGD	
CC(C)Cc1ccc([C@H](NC(=O)NNC(=O)OC(C)(C)C)c2cccs2)cc1	916195848	YQPMMIVSLBQKNK-SFHVURJKSA-N	403.548	4.775	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2sc(Nc3ccccc3)nc2Cl)c(C)c1	916358108	CPTSLEPRJWJJSY-UHFFFAOYSA-N	413.934	4.719	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(N3CCCCC3)CC2)c(C)n1C1CCCCC1	918697556	TXNHIUHCTJUVAC-PTGBLXJZSA-N	422.617	4.994	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C(=O)c2ccccc2)C(C)C)c1C	918818201	NMANJVILLGDTTH-XHWRMISNSA-N	422.525	4.670	50	20	HJGD	
CCN(CC)C1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)CC1	1318406006	KTOIIDGNEGGSSW-HAVVHWLPSA-N	418.585	4.642	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1nc(-c2ccccc2)oc1C1CC1	1332421046	REXOBTPPCXXTFP-UHFFFAOYSA-N	420.538	4.721	50	20	HJGD	
O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791605686	CKPWAGWIWDFAKI-QLFBSQMISA-N	409.357	4.751	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1	1825874601	ALXJWGTWUUTTNC-WOJBJXKFSA-N	408.970	4.537	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c(Cl)cc2C)C1	1845533950	LPWQZLLJXCBOLA-CQSZACIVSA-N	417.764	4.526	50	20	HJGD	
O=C(CCc1ccccc1)NN=Cc1cn(-c2ccccc2)nc1-c1cccs1	254497790	OZUCKPCHKMAKQV-UHFFFAOYSA-N	400.507	4.684	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl	728176761	ZMYISLZNFBKQAC-NTUHNPAUSA-N	401.228	4.864	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC(C)(c4ccccc4)C3)s2)cc1	729635309	NEYIPKPAARTESH-UHFFFAOYSA-N	405.523	4.843	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	729964967	IEUYDCAHZDZGEI-IBGZPJMESA-N	415.421	4.850	50	20	HJGD	
N#C/C(=C\c1cc2ccccc2nc1N1CCOCC1)c1nc2cc(F)ccc2s1	730149025	SCOLKYJVUJETEC-SFQUDFHCSA-N	416.481	4.884	50	20	HJGD	
CC(C)Cc1nc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cs1	731479393	RVNAQZUNMOKSRT-UHFFFAOYSA-N	422.270	4.880	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c(C)c1	738555629	DATXUYDXZQMTQX-AWEZNQCLSA-N	409.477	4.519	50	20	HJGD	
Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(CCCCl)cc1	751271148	RVHSSQPZIIFICW-UHFFFAOYSA-N	402.741	4.730	50	20	HJGD	
CCO[C@@H](CCN(C)C)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752977984	RIOSENCRWRQVQN-ZDUSSCGKSA-N	405.433	4.822	50	20	HJGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	757797797	PXNIRUABTXMBHX-DGFSRKRXSA-N	407.889	4.510	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)c1	759319869	XZKUBJPYJSAJNX-UHFFFAOYSA-N	410.873	4.678	50	20	HJGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	760210099	HPGKIPLDOADBCH-YBEGLDIGSA-N	404.278	4.517	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)c1cccc2ncccc12	762448778	JFNFPVPTPFUZSK-GHTZIAJQSA-N	422.529	4.520	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2cccnc2)c1	766486194	YNVGRHNWTPYDFZ-WQRHYEAKSA-N	419.868	4.868	50	20	HJGD	
O=P(CCN[C@@H](c1ccccc1)C1CCOCC1)(c1ccccc1)c1ccccc1	775441629	KNKRDLKZFYGWCS-SANMLTNESA-N	419.505	4.758	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(NC(=O)c2ccccc2)cc1	779208634	MHEPAIPXFYPYOI-UHFFFAOYSA-N	415.371	4.594	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1	780802026	BVLRRYZYRDGPMH-KRWDZBQOSA-N	403.935	4.584	50	20	HJGD	
Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	782117382	KLHNGUGAUQKQGL-UHFFFAOYSA-N	421.395	4.970	50	20	HJGD	
CSCCCCCCNC(=S)NNC(=O)c1sc2ccccc2c1Cl	782189266	AOHHMSSNLCJSMI-UHFFFAOYSA-N	416.037	4.587	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c3nnc(C)s3)c2C)cc1	782347097	HNVFKSKOLALKSX-YLRSXTQRSA-N	406.511	4.774	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNc2nc3ccccc3s2)c(C)c1	782816505	XDGXRKSBZTZVDY-ZDUSSCGKSA-N	414.556	4.577	50	20	HJGD	
O=S(=O)(N[C@@H]1CCOC2(CCC2)C1)c1ccc(S(F)(F)(F)(F)F)cc1	782981306	CKUUDGMSLNZNNS-LLVKDONJSA-N	407.426	4.724	50	20	HJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)C(=O)Nc1nc(-c2ccncc2)cs1	787169980	SLTSCLBCWFSWRN-QDJKKUJYSA-N	417.450	4.605	50	20	HJGD	
CC(C)(C)C(=O)NC1CCC(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CC1	788727309	YPPMEYGFAVVIGT-UHFFFAOYSA-N	420.768	4.811	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC(c2ccccc2)c2ccccc2)c1C	789970568	GEVDBEOIBGAQCT-ULJHMMPZSA-N	413.521	4.564	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1C	789980650	RXSJDYVBVIYXAY-FNMPFJKNSA-N	415.921	4.828	50	20	HJGD	
Cc1ccc2c(C(=O)NNc3ccc([N+](=O)[O-])cc3Br)csc2c1	795273519	CKWKTXINNRWNPW-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1nc(-c2ccccc2)oc1-c1ccccc1	803434360	DPCZCJUEEFECPD-UHFFFAOYSA-N	422.444	4.607	50	20	HJGD	
O=C(NCc1cnn2ccccc12)Nc1ccccc1S[C@H](Cl)C(F)(F)F	806184559	HVEWLEIGTWOAGY-HNNXBMFYSA-N	414.840	4.875	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Nc1ccc2[nH]ccc2c1	806247339	HZJGIERMWNNZNR-UHFFFAOYSA-N	412.375	4.792	50	20	HJGD	
O=S(=O)(N[C@@H](C1CC1)C(F)(F)F)c1cccc(S(F)(F)(F)(F)F)c1	808328026	JCIIVRYHBCQBLE-JTQLQIEISA-N	405.332	4.963	50	20	HJGD	
COC(=O)c1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c(Br)c1	812245981	ABJQGOBRTSHNIB-SDQBBNPISA-N	411.177	4.714	50	20	HJGD	
CCOc1ccc(NNC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)cc1	817915137	DCLDYAGEVIYPFR-UHFFFAOYSA-N	405.376	4.824	50	20	HJGD	
CCOc1cc(C(=O)NNc2ccccc2C)ccc1OCCOc1ccccc1	865494561	DBTIFBWDYGRUBO-UHFFFAOYSA-N	406.482	4.608	50	20	HJGD	
COc1ccccc1OCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	878641457	RBSNFLDRCSGRPZ-INIZCTEOSA-N	405.825	4.932	50	20	HJGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1	916128820	DXSQCLSVILYSBA-WQRHYEAKSA-N	417.490	4.759	50	20	HJGD	
Cc1ccc(C(C)C)c(Oc2ccc(C=NNC(=O)c3ccncc3)cc2[N+](=O)[O-])c1	916243059	DWORGPRTDAMHQY-UHFFFAOYSA-N	418.453	4.978	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=NNC(=O)c2ccccc2F)cc1	916291172	RITIPKIOEBAKLA-UHFFFAOYSA-N	416.431	4.890	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(COc3ccccc3)o2)cc1OCC(C)C	916360198	KEYWZDQGTBFAES-UHFFFAOYSA-N	422.481	4.666	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)c2ccccc2n1	916517989	CQNYWAJXGTUXME-NRFANRHFSA-N	404.514	4.665	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)ccc1OCc1cccs1	917623779	NLTNWAJLUCZHLV-RQZCQDPDSA-N	419.458	4.854	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1csc(COc2ccc(Cl)cc2)n1	918710073	FNSPVFBNPBFDBB-UHFFFAOYSA-N	424.913	4.550	50	20	HJGD	
O=C(NNC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1)NC1CCCCC1	920408273	NKTPSPNGICTTOD-UHFFFAOYSA-N	405.857	4.548	50	20	HJGD	
CC1(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)CCCC1	1785904914	GMOCZUMWXKXFPA-UHFFFAOYSA-N	402.611	4.552	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3S)CCC2)cc1	1786443526	YJOLCKTXQAZWDO-KRWDZBQOSA-N	417.962	4.526	50	20	HJGD	
Cc1ccccc1C(=O)NC1(c2ccc(NC(=O)CO[Si](C)(C)C)cc2)CCC1	1789649707	ICLBJADHLONLQY-UHFFFAOYSA-N	410.590	4.594	50	20	HJGD	
CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Br)cc3)CCC2)CC1	1790534331	LDJURMXYYOKBGL-RHSMWYFYSA-N	423.326	4.557	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1	1830308882	AFMLEPBVWLCENF-NHCUHLMSSA-N	404.982	4.554	50	20	HJGD	
Cc1nnc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)n1-c1ccccc1	23591112	LSLHYXWKUBRKOQ-MMOSJZJFSA-N	419.535	4.578	50	20	HJGD	
Cc1cc(C(=O)NN(Cc2ccccc2)c2ccccc2)c(C)n1Cc1ccccn1	195564906	AZOQBPFMOBYVGU-UHFFFAOYSA-N	410.521	4.900	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(OC)c1OC	209993920	WKGQZSBWPBYCOE-RAXLEYEMSA-N	420.437	4.573	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1	301764383	QFYPRWGYOZXPQA-NBVRZTHBSA-N	400.482	4.707	50	20	HJGD	
CN(C)c1cccc(O)c1-c1c(O)cccc1P(c1ccccc1)c1ccccc1	642814315	WOVGQZVYEAOTFK-UHFFFAOYSA-N	413.457	4.589	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)cc1	726741872	IODTVLYZEDOOEF-IDUWFGFVSA-N	406.290	4.959	50	20	HJGD	
C/C(=C\C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1	727791786	WDRANMSATJBQND-MDZDMXLPSA-N	417.214	4.877	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccccc1	730672584	HKMSUALKNQQLNE-MRXNPFEDSA-N	423.900	4.624	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C)c1ccccc1	732133292	VWDRAAXEPGZKKE-PGRDOPGGSA-N	403.526	4.669	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NNc3cc(F)c(F)cc3F)c12	734552638	ZIAJUSOSZJYLQJ-UHFFFAOYSA-N	417.435	4.546	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1	740137951	PVRYGGPEMNKUTH-UHFFFAOYSA-N	415.375	4.501	50	20	HJGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(Oc2cccc(Cl)c2Cl)cc1	743823020	GMTBOTSZXYTEAM-UHFFFAOYSA-N	424.353	4.695	50	20	HJGD	
Cn1ccc2ccc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cc21	744471864	VZBDARHEKZMCHB-ZHZULCJRSA-N	420.476	4.501	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3cnn(C(C)C)c3c2)c1C	747126538	KPBOWSNTLCBWPE-GVLJNOETSA-N	419.529	4.789	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1	748012821	UXLQSOZDSAIFEH-UHFFFAOYSA-N	409.273	4.649	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1	748563543	QYRAMKSWLKCQBP-UHFFFAOYSA-N	410.232	4.765	50	20	HJGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NNc2ccc(OCC(F)(F)F)cc2)c1	748694893	GRQPFFBGBIZVOZ-GFCCVEGCSA-N	402.800	4.500	50	20	HJGD	
CCCCOC(=O)/C(C#N)=C\c1cc(Br)c(OC(F)F)c(OCC)c1	750895073	ZUYCNHFHICIFKL-GHXNOFRVSA-N	418.234	4.699	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)N[C@@H](c1nc(C)cs1)C1CC1	753195477	IHCWEDFXGMXORP-OAHLLOKOSA-N	409.353	4.554	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1C	753371521	ZENZCQHBEAPVDU-PLTYNGASSA-N	405.542	4.706	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1	754142798	KBHGRQLMXYDCIQ-UHFFFAOYSA-N	413.371	4.948	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(C(F)(F)F)nn3)c3ccccc3n2)cc1	755189416	IYHZTOYCIHCBNM-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
C[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H](C)N1CCOCC1	762965194	DXJJUYUGFWWULA-RYUDHWBXSA-N	403.417	4.575	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1C(C)(C)C	763289815	KJTMJXGAURQQMO-RGEXLXHISA-N	414.509	4.783	50	20	HJGD	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1	763615635	PVDDFKCTYSSZHF-UHFFFAOYSA-N	408.329	4.868	50	20	HJGD	
N#C/C(=C/c1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccc2ccccc2n1	768496284	SJKCFMBSNFFTGW-HKWRFOASSA-N	419.912	4.663	50	20	HJGD	
Cn1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)c(-c2cccs2)n1	769614129	HPPMFPNISKXCPB-YRNVUSSQSA-N	415.272	4.883	50	20	HJGD	
COc1ccc(NC(C)=O)cc1NC(=O)NNc1c(Cl)cc(Cl)cc1Cl	769938313	PRBRBDLWQRBNRZ-UHFFFAOYSA-N	417.680	4.762	50	20	HJGD	
COc1cc(NC(=O)NNc2ccccc2Cl)ccc1NC(=O)OC(C)(C)C	769966736	VISZSCFGIHEUCS-UHFFFAOYSA-N	406.870	4.844	50	20	HJGD	
Cc1ccc(COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c(C)c1	770998424	PSMXOJWBOQIYNE-HMAPJEAMSA-N	410.477	4.731	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cnc(C(C)(C)C)s2)c1C	774546380	ZOXUVBRUAUJKMR-QJVAEYLJSA-N	415.559	4.717	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ccc4ccccc4n3)cc(-c3ccccc3)nc21	777462287	LCMPYGODWOUDTA-UHFFFAOYSA-N	422.492	4.984	50	20	HJGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c1OC(F)F	777871224	JXYVAHRQADRLDM-LCYFTJDESA-N	407.214	4.905	50	20	HJGD	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNc1cc(Cl)ccn1	778447702	DMPAEMSBWJHWDL-UPHRSURJSA-N	409.717	4.929	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1csc(-c2ccc(F)c(F)c2)n1	779218437	ZIODIUICCCWPMB-UHFFFAOYSA-N	415.343	4.744	50	20	HJGD	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NNc1cc(F)c(F)c(F)c1	782754743	MRHQPZDBWJZTJI-UHFFFAOYSA-N	415.293	4.843	50	20	HJGD	
CN1CCC2(CCCN2S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782987109	ICMCGGXYIXPUIH-UHFFFAOYSA-N	420.469	4.593	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccccc1COCc1ccccc1	785252688	IANNDRMLYXUKCP-OEAKJJBVSA-N	400.453	4.766	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1nccn1CC(F)(F)F)c1ccc(Cl)cc1Cl	787179443	UPNIPTVKNDQDDP-CHPNCVJKSA-N	417.218	4.537	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cc(Br)c(C)c(Br)c1	789147564	IMMKIXUSWVJYJC-SDQBBNPISA-N	421.154	4.599	50	20	HJGD	
C[C@@]12CCN(CCP(=O)(c3ccccc3)c3ccccc3)C[C@@H]1C2(Cl)Cl	792914782	XRDLZTZNLXUZMT-VQTJNVASSA-N	408.309	4.516	50	20	HJGD	
C[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@H](O)c1ccccc1	808339624	VDTYAYJNHRTVNE-NHYWBVRUSA-N	417.421	4.744	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c(C)n1C[C@@H]1CCCO1	809290354	POFXJNYWYIRWQP-XFCFUSFASA-N	423.582	4.862	50	20	HJGD	
CC(C)(C)C(C)(C)CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	817089511	YJSVWDGKVYKOQC-XMHGGMMESA-N	403.530	4.559	50	20	HJGD	
Cc1ccccc1COc1ccccc1C(=O)NNC(=S)Nc1cccc(C)c1C	818296512	TZHXZNHHMPAUHH-UHFFFAOYSA-N	419.550	4.822	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2OC(F)F)c(C)n1CC(C)C	833405424	BERNDNJITOVWMN-VXLYETTFSA-N	401.457	4.586	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ncccc3C)c2C)cc1	843073277	QVEBVXVZZGHBQT-ZHZULCJRSA-N	400.482	4.742	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C	914485712	YZLZRRILSIOYEI-JCMHNJIXSA-N	404.558	4.679	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cccc(C#N)c2)c(C)n1-c1ccc(F)cc1	914494828	VZDSNKWVVFYLEH-XKZIYDEJSA-N	412.468	4.671	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1cn(-c2ccccc2)nn1	914723054	YOHGMKQFOTYADQ-INIZCTEOSA-N	412.824	4.739	50	20	HJGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	915919027	HLSQSIPNWIWQCF-UHFFFAOYSA-N	417.900	4.669	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)Cc1c[nH]c2ccccc12	915996135	TYAQSBQVNHZDNU-UHFFFAOYSA-N	408.571	4.975	50	20	HJGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1	918218822	SJWIWUBXNUAQTQ-MRXNPFEDSA-N	412.292	4.864	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)n1	920398087	GQGQWKDEDLDXII-GZTJUZNOSA-N	407.495	4.800	50	20	HJGD	
CCc1cccc(CC)c1NC(=S)NNC(=O)NCc1cccc(C(F)(F)F)c1	921271763	IQVOKBOSLNCOCF-UHFFFAOYSA-N	424.492	4.531	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccco3)CCC2)cc1	1786446598	MLLZDKLNNPMZLH-JXFKEZNVSA-N	416.949	5.000	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Br)CCC3)cc2)s1	1787281904	AGNDZMPUGPRHHP-ZDUSSCGKSA-N	421.360	4.588	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C)cc2)CCC1	1787795254	DTWUXDVROGADEQ-IBGZPJMESA-N	414.933	4.525	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3scnc3CC)cc2)CCC1	1790197528	FWSIMPIVNJTVPA-MRXNPFEDSA-N	419.978	4.861	50	20	HJGD	
C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](Cl)CCC)[nH]n1	1814440633	XDMRUCGNOAZFMG-NVXWUHKLSA-N	408.974	4.802	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1	1824610285	XZLLKBLWPRVKEU-SJORKVTESA-N	420.972	4.695	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(C)cc2)CC1	1831530770	XUEANBBMVJPXPZ-NYVOZVTQSA-N	419.009	4.736	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2c(-c3ccccc3Cl)noc2C)c1C	14806875	DZSKNMLYNJSVOR-UHFFFAOYSA-N	414.918	4.552	50	20	HJGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12	14894803	MADCWFUOYKNFHQ-UHFFFAOYSA-N	418.975	4.524	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl	17473487	JVIFLUAFJKFKNI-SDNWHVSQSA-N	422.828	4.593	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)c(OC)c2)cc1	261380643	FESDLJGTWLNIKP-XNTDXEJSSA-N	420.387	4.581	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccn(-c2cccc(C(F)(F)F)c2)n1	303876512	YBUWEJMOXJWVLD-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
O=C(NN=Cc1csc(-c2cccs2)n1)c1ccc(COc2ccccc2)o1	728425922	PHDUUOWKBXDXPQ-UHFFFAOYSA-N	409.492	4.808	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)c1cc(F)ccc1Br	728435429	ANNDDMWXPFDQQD-UHFFFAOYSA-N	420.065	4.668	50	20	HJGD	
O=C(NN=Cc1cccc(OC2CCCC2)c1)c1cc(F)ccc1Br	728435473	BRIQTLNCNOYFLR-UHFFFAOYSA-N	405.267	4.674	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@]2(C)CCOC2)c(C)n1-c1cccc2ccccc12	733116060	YHQJSOFJHMBHGZ-OGYQGKGRSA-N	413.521	4.697	50	20	HJGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c(C)c1	733847494	BLVCOUYRUWNYTI-GOSISDBHSA-N	417.513	4.646	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)NCC(C)(C)CCCc2ccccc2)c2ccccc2n1	733849705	CWOXEARDBWBLFH-UHFFFAOYSA-N	418.541	4.536	50	20	HJGD	
O=C(NCc1ccccc1COCc1ccccc1)NNc1cc(F)c(F)cc1F	734659065	OUAWLSLJZNFSJO-UHFFFAOYSA-N	415.415	4.647	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)[C@@H](Sc1ccccc1Cl)c1ccccc1	735688803	WJLGTZOJOLRPGJ-KRWDZBQOSA-N	405.310	4.760	50	20	HJGD	
CC(C)(C)CCCNC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	740486173	NYLNLXXRUSPAQP-UHFFFAOYSA-N	404.514	4.672	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3ccc4ccccc4n3)cc12	741451214	DWXDICFBJHIZDW-UHFFFAOYSA-N	411.490	4.708	50	20	HJGD	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NNc2cccc(C#N)c2)cc1	748037554	MMNYSHZNVXTUBT-UHFFFAOYSA-N	404.495	4.752	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	748669605	KDMMRKPHCHTCKT-UHFFFAOYSA-N	421.482	4.731	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2cc(F)c(F)cc2F)cc1OC	748795311	HRSITWWIEHFROX-UHFFFAOYSA-N	402.800	4.702	50	20	HJGD	
CS/C=C\C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	751558208	QDADRZJREIQMOO-NXVVXOECSA-N	418.518	4.570	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1ccc2ccccc2c1	755350299	ZJILNTFCFGSGDG-UHFFFAOYSA-N	402.479	4.738	50	20	HJGD	
O=C(CCc1ccccc1O)NNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	755362736	RQWHREBKSTZYCT-UHFFFAOYSA-N	403.442	4.593	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)c2ccccc2F)cc1Cl	755948090	VLMMMVWLPWQXEM-GOSISDBHSA-N	422.847	4.601	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1cccc(C(F)F)c1	756300328	SRUDGJAWXCNQMW-UHFFFAOYSA-N	422.391	4.899	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1	756485961	BGQTUHLFTZDBNG-JOCHJYFZSA-N	414.465	4.697	50	20	HJGD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NNC(=O)c1cccc2ccccc12	756544478	IXDKNDFMFRRYGJ-UHFFFAOYSA-N	418.497	4.599	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	759642779	KIAIWSNGRVXTTG-QGOAFFKASA-N	400.482	4.859	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1c(C(F)(F)F)ccnc1Cl	760008994	FOLBLOCYEHHCSI-UHFFFAOYSA-N	402.562	4.957	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl	767717329	LLTVMXVAUJHNJM-XFFZJAGNSA-N	406.623	4.556	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@H]1CCOC2(CCCCC2)C1	769175246	LRWPDSVRXTYWEE-JTQLQIEISA-N	407.729	4.550	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ccc(Br)c(F)c2)cc1-c1ncco1	771177086	HYNCTOSZZHJRQF-UHFFFAOYSA-N	405.227	4.700	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773640323	NGLZPSUJUSDPFJ-UHFFFAOYSA-N	417.306	4.704	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCCCC1	775452675	HAWMPWGBRPPCPJ-UHFFFAOYSA-N	407.301	4.768	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(Oc2ccc(F)cc2)nc1	775504094	SEYWWJNCRCOLPP-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(C)n1C1CCCCC1	776469591	RDOUOEJUKFQARV-GFCAVMEOSA-N	405.546	4.994	50	20	HJGD	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	776646551	YLYKEERLNMDHFS-UNOMPAQXSA-N	402.425	4.964	50	20	HJGD	
CCCN(C)C[C@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777981168	IAIAMLFGNCJNCX-CYBMUJFWSA-N	422.485	4.696	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1ccc(-c2ccccc2OC(F)(F)F)o1	781928889	GIIOTIUGBLHXQP-UHFFFAOYSA-N	414.343	4.545	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)[C@]1(C)CCCO1	782114735	SPBWBXMYHSHMND-QFIPXVFZSA-N	408.527	4.530	50	20	HJGD	
CN1C(=O)c2ccc(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)cc2C1=O	782115525	KXSUNXDEICSHMC-UHFFFAOYSA-N	406.332	4.822	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCCCc1nc(-c2ccc(F)cc2)no1	784699563	LJDLGBVIRJJRSO-INIZCTEOSA-N	409.552	4.639	50	20	HJGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cn1	790100591	OREJZKANUMRLKQ-NCPSJORJSA-N	403.313	4.629	50	20	HJGD	
CCc1c(C(=O)NNc2cccc(C(F)(F)F)c2)cnn1-c1ccccc1Cl	790806993	OZKZCJCOTIACMT-UHFFFAOYSA-N	408.811	4.864	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cc(F)c(F)c(F)c2)cnn1-c1ccccc1Cl	790808614	MQBUWTZZHYDBBX-UHFFFAOYSA-N	408.811	4.823	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccncc2Cl)c(C)n1CCC(C)C	791594237	ZQLLQCPARMIVMD-ZDLGFXPLSA-N	413.905	4.533	50	20	HJGD	
Cc1cc(Cn2nnc(C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)c2C)on1	794417448	ZMOYCLMSIJHMNI-UHFFFAOYSA-N	423.367	4.841	50	20	HJGD	
O=C(NN=Cc1c(Cl)nc2cc(Cl)ccn12)c1c(Cl)cccc1Cl	794904989	NVGJPZSEVXYFKN-UHFFFAOYSA-N	402.068	4.712	50	20	HJGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H](C2CC2)O1	795207550	DCMDMVRFXOVKNS-YGRLFVJLSA-N	407.426	4.532	50	20	HJGD	
C=C(CBr)COC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C	795562557	IMHRAMSBWHBUBD-UHFFFAOYSA-N	403.198	4.512	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1C#N	799499159	RFPSLMSZVLNJNQ-IWTIEGKHSA-N	400.265	4.658	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(F)c(C(F)(F)F)cc1F	804466982	UNWMZLSWTDTIOM-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
Cc1nc(Cl)c(Cl)cc1C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	805185861	RAVKFGWQFAULPK-UHFFFAOYSA-N	415.280	4.830	50	20	HJGD	
COCCCOc1ccc(NC(=O)NNc2c(C)cccc2C(C)C)cc1OC	812984003	OTDVUTSKJHKGRZ-UHFFFAOYSA-N	401.507	4.691	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCCC[C@H]2c2ncon2)c(C)n1CCC(C)C	813517032	DGAFFGRBOVMPKN-MSTPFNHUSA-N	409.534	4.585	50	20	HJGD	
COc1ccc(NNC(=O)c2sc(-c3cccs3)nc2C)c(C(F)(F)F)c1	816704046	DTNFNVMJSRSOPX-UHFFFAOYSA-N	413.446	4.964	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc(F)cc2)C(C)C)c1C	914501823	FVXNLFMLAQOVFJ-FNLSEGDXSA-N	411.521	4.796	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(O)cc1	916287810	SIAFJNJRDHPYFO-UHFFFAOYSA-N	416.506	4.715	50	20	HJGD	
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)[C@@H]1C	918239360	FEEJMMXNDOQNPC-RHPZDQPFSA-N	422.900	4.785	50	20	HJGD	
CCN(CC)C(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	920013374	UXZLQHUJEBPHSK-STZFKDTASA-N	420.557	4.789	50	20	HJGD	
CCCOc1ccc(COC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	920142053	NWLDJAHBBQCXHP-XPCGLTFESA-N	422.525	4.723	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1	1790204490	HPIRWNAYAAUJMQ-UHFFFAOYSA-N	409.313	4.946	50	20	HJGD	
CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)CCC)[C@H]1c1cccnc1	1812692369	CSYBYEZXMTYSKD-WJMWBRGCSA-N	422.013	4.711	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1828822858	BAWPTQBDCCQRKV-UXHICEINSA-N	409.014	4.640	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1	1830306025	GFAWYWLDPUBXAL-IRXDYDNUSA-N	422.978	4.745	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(N)nc(Nc2ccccc2)n1	11296468	ZYEAEZUIDJJGFB-HMMYKYKNSA-N	420.476	4.841	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccc2ccccc2c1	17400162	GTUMBBIFRGWQTQ-UHFFFAOYSA-N	418.456	4.525	50	20	HJGD	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1O	139469378	DLQPHPOIKOQHRZ-ZSOIEALJSA-N	403.265	4.982	50	20	HJGD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	303048474	RBCROYCBWLVSBG-CYBMUJFWSA-N	406.741	4.517	50	20	HJGD	
O=C(Cc1cccc(Cl)c1)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	727848825	VUOMCFXYWFAZTJ-UHFFFAOYSA-N	422.259	4.573	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CCCCC1	728218775	CVRUQQBGLRRJET-KRWDZBQOSA-N	415.559	4.537	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)Nc1ncc(-c2ccccc2)s1	728594912	VHTOHUFDMLHJCY-UHFFFAOYSA-N	407.268	4.860	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Br)cc2Cl)ccc1OC(C)C	729275195	AYNXMUDGAIBGPE-UHFFFAOYSA-N	413.699	4.655	50	20	HJGD	
COc1ccccc1-c1nc(C(=O)NNc2ccnc3cc(Cl)ccc23)cs1	729514746	MMIRHVKHUAWRDN-UHFFFAOYSA-N	410.886	4.777	50	20	HJGD	
N#C/C(=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1nc(-c2ccccc2)no1	732713697	FRIXZDITFDMZAA-GDNBJRDFSA-N	418.254	4.953	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)N(CC(F)(F)F)C1CC1	732715272	PYYJFPZTZHDZLQ-GZTJUZNOSA-N	418.390	4.865	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cnc(-c3ccc(C)cc3)s2)cc1OC	734305499	AQKLZKRDGURKBB-MHWRWJLKSA-N	405.479	4.681	50	20	HJGD	
CCc1cc(NNC(=O)Cc2coc3ccc4ccccc4c23)nc(-c2ccccn2)n1	734356840	LGDCBSVZXFZEIJ-UHFFFAOYSA-N	423.476	4.686	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2nc3ccccc3n2C)c(C)n1CCC(C)C	736218221	JJIBMFHZDIZVLE-MKYLKIGJSA-N	417.557	4.822	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)C(=O)Nc1ccccc1Br	743057421	RKOUXJPCEGFRBZ-RVDMUPIBSA-N	421.254	4.577	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccc(Oc3cnccn3)cc2)n1	743058418	YUDUPYFBFMYIKO-XNTDXEJSSA-N	405.483	4.569	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	743815202	VMJJTJDFZZSFDA-UHFFFAOYSA-N	424.291	4.998	50	20	HJGD	
Cc1nn(Cc2ccccc2)c2sc(C(=O)NNc3cc(F)c(F)c(F)c3)cc12	746703283	OYLBYDQAMZJJFS-UHFFFAOYSA-N	416.428	4.629	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)cs2)c1	746890100	SFUQKRGIQUEYSD-UHFFFAOYSA-N	416.428	4.695	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](C)c2cc(Cl)ccc2Cl)c2ccccc2n1	746965216	AMMGNBUXSWSCHB-GFCCVEGCSA-N	417.296	4.555	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc2ccccc2cc1NC(=O)C1CC1	748654437	QBLORPYPXSTFRF-UHFFFAOYSA-N	411.408	4.547	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(CCC(F)(F)F)cc1	751858911	IIBXWOHVHXOROH-UHFFFAOYSA-N	405.203	4.563	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1c(-c2cccc(Br)c2)noc1C	752144506	ZGJPBQMDOPQVEM-UHFFFAOYSA-N	404.239	4.617	50	20	HJGD	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NNc3cc(Cl)ccc3Cl)n2)n1	752812069	CZBMAKDUFJUFJD-UHFFFAOYSA-N	410.692	4.601	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1	753194675	JSDRVUQKHDVOAE-AWEZNQCLSA-N	416.568	4.530	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C(F)(F)F)ccc2Cl)cc1	753683570	VMHKECZDPLUHDS-ZROIWOOFSA-N	421.806	4.606	50	20	HJGD	
CC(C)(CCC(=O)NNC(=S)Nc1cccc(Br)c1)c1ccccc1	754215771	DLFADWCKJYEKHJ-UHFFFAOYSA-N	420.376	4.525	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(-c3nnco3)cc2)c1C	754770885	XDQGYDKSCUALPS-FYJGNVAPSA-N	424.460	4.965	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cncc(-c2ccc(Cl)cc2)c1	758174883	BXIUHXPRKDXRMU-UHFFFAOYSA-N	403.225	4.721	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)ccc1Br	759661744	YWBBYWSYCFWYPP-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2nnc(-c3ccccc3)s2)c(C)n1CC(C)C	760008943	XUTWIDDQVOKACD-RGVLZGJSSA-N	419.554	4.503	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(F)c(C(F)(F)F)c(F)c3)c(C)cc2c1	760490028	KYSHELCQHIKQKS-UHFFFAOYSA-N	411.330	4.606	50	20	HJGD	
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762973694	ZAMGKCUGBVHOJJ-PWSUYJOCSA-N	422.441	4.821	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccn(-c2cccc(C(F)(F)F)c2)n1	763616095	TXTPIGOFZAVJJG-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(C)n1CC(C)C	765323006	IZSUAKDDEIOARY-NTCRPHJYSA-N	405.542	4.704	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1c(F)cccc1F)C(=O)Nc1ccccc1C(F)(F)F	768491106	BGUTVPNXIYGXJY-DHZHZOJOSA-N	418.325	4.919	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1	772853368	DSTMEXIWQOFURY-UHFFFAOYSA-N	406.364	4.516	50	20	HJGD	
COc1cc(/C=C(\C(=O)NNc2ccc(C#N)c(Cl)c2)c2ccccc2)ccc1O	773973368	DVOZZKHNNHUMTJ-ODLFYWEKSA-N	419.868	4.610	50	20	HJGD	
CSc1cccc([C@H](NS(=O)(=O)CCCCCl)c2cc(F)ccc2F)c1	780798898	VWRKZENZBYUQNF-SFHVURJKSA-N	419.946	4.715	50	20	HJGD	
COCc1nc(COC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cs1	782341082	HMUDGFKHYYKKRP-ZDLGFXPLSA-N	413.543	4.863	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(Cl)cc(F)c1Br	786426829	JWEPOXUISWUKHW-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COCCC(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C	787959004	IGQWPRMSKVOXFS-UHFFFAOYSA-N	402.405	4.946	50	20	HJGD	
COc1cc(NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)ccc1Cl	790172234	RPHIIADDUHGRBJ-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(N3CCC3=O)c2)c(C)n1C1CCCCC1	791094750	SONZUKAZWDLALC-ZHZULCJRSA-N	416.525	4.893	50	20	HJGD	
COc1cc(/C(C#N)=C\c2cnn(-c3ccc(C(F)(F)F)cc3)c2)ccc1[N+](=O)[O-]	794700445	FZQCULYVTFHPTL-NVNXTCNLSA-N	414.343	4.872	50	20	HJGD	
C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	796114464	KTXBVFOXSBZUHM-OLZOCXBDSA-N	420.469	4.591	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccn3)C2)c(C)n1-c1ccccc1F	798718605	FGUWKSQCNXRHRS-ORTNRGLGSA-N	414.484	4.551	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)NNc2nccnc2C2CCC2)cc1	806177411	ZWLXWGSJDKHYMA-UHFFFAOYSA-N	405.458	4.694	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cn1	812245031	LSFASMMCOYQSRT-NTEUORMPSA-N	406.329	4.894	50	20	HJGD	
O=C(CSc1ccccc1O)NN=C(CC(F)(F)F)c1ccc(Cl)cc1	814969030	IACPIBQATUWDMI-UHFFFAOYSA-N	402.825	4.611	50	20	HJGD	
C[C@@H](CCc1ccccc1)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	914458720	KDFCOUWJVOREEA-MCIDSYJDSA-N	423.520	4.508	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccc(C)cc1C	914514721	LPWHSOXAYYQDMF-XUKJQLKWSA-N	405.542	4.861	50	20	HJGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	915937857	VEYYMIAGLFNCQU-UHFFFAOYSA-N	403.873	4.659	50	20	HJGD	
O=C(NN=Cc1ccc(N2CCCCC2)o1)c1ccccc1OCc1ccc(F)cc1	917569119	RCTYEINNULQQCG-UHFFFAOYSA-N	421.472	4.752	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c(C)n1CC(C)C	919700299	FNZPYIPOJNOLOG-UDWIEESQSA-N	421.545	4.837	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)ccc3F)CCC2)cc1	1786446244	AZCNNKDKNWRROH-GOSISDBHSA-N	418.896	4.687	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)c3ccccn3)CCC2)cc1	1790488094	HEPHAEVFVKSUAT-SFHVURJKSA-N	413.949	4.511	50	20	HJGD	
CC/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](Br)CC)CCC2)cc1	1792065223	OAONWRHUNPHYTD-VRXKTSEUSA-N	407.352	4.650	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)[nH]n1	1815322064	KQFNYWYDEMHWQC-AEFFLSMTSA-N	420.916	4.571	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1	5244612	FHOLCFGGLKOBAC-BRYYZUPOSA-N	417.292	4.629	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)ccc1OC	6537695	OWEMUUICNFACEJ-OQLLNIDSSA-N	400.862	4.610	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12	17398950	OJUFBHBBOHFWRH-UHFFFAOYSA-N	415.440	4.602	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCCSc3ccccc32)c1C	24698662	SSGXJGBXZGDXMT-NNIWKIFQSA-N	409.555	4.748	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)c1C	207218436	HLURIVBBEHWKRS-CJMVGXJBSA-N	413.905	4.646	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1OC	208952170	XSUHTPACRRGYNZ-GDNBJRDFSA-N	400.862	4.692	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CCCc1ncc(-c2ccccc2)o1	727171851	NOIBRHJOEKBFPN-UHFFFAOYSA-N	422.554	4.806	50	20	HJGD	
O=C(NN=Cc1cccc(Br)c1)c1ccc(Br)cc1Cl	728782235	GRWXFMOZCLCIHV-UHFFFAOYSA-N	416.500	4.629	50	20	HJGD	
CCSc1ccc([C@@H](C)NC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1	729053751	CKQGFQFHBNLOKH-LLVKDONJSA-N	412.342	4.811	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cocn2)c(C)n1-c1cccc(Cl)c1Cl	730764040	NEPISYTXFPKMCL-VIZOYTHASA-N	415.280	4.612	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1C(=O)NC(C)C	731170966	JULSEXLWHCIEEQ-SRZZPIQSSA-N	420.557	4.753	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(OC(F)F)cc1)Nc1ccc(Cl)cc1Cl	741501895	FUGCZSLCLTZNPC-UHFFFAOYSA-N	421.256	4.618	50	20	HJGD	
C[C@H](C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1C(F)(F)F	742074582	VHDKZGXEOTUYCQ-JTQLQIEISA-N	410.783	4.656	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3nc(C)c(C)s3)c2C)cc1	743784013	NPIUKLAXBVVCDM-JAIQZWGSSA-N	404.539	4.699	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)c2ccc(Br)nc2)c1C	744374336	WTYXRGGAZXECKH-GZTJUZNOSA-N	415.335	4.633	50	20	HJGD	
O=C(/C=C/c1ccccc1OC(F)(F)F)NNc1cccc(Br)c1	748020923	ULFWILRVZWNHOL-CMDGGOBGSA-N	401.182	4.504	50	20	HJGD	
C[C@H](CCC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccccc1	750537572	PKTUGMHGCPPDSP-CQSZACIVSA-N	415.419	4.584	50	20	HJGD	
N#Cc1ccccc1OCc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)o1	754142885	LFRUDOJAMDUQLN-UHFFFAOYSA-N	419.334	4.645	50	20	HJGD	
COc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)ccc1OCC(C)C	754150457	UCJWWHZHNDUFOL-UHFFFAOYSA-N	400.372	4.645	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cc(-c3ccccc3)ccc2OC)o1	756834724	NYXSSIGTLJAJFU-UHFFFAOYSA-N	405.498	4.561	50	20	HJGD	
Cc1ccc(-c2cncc(C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)c2)cc1	758227178	JGCNLUBXEULMSR-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(S(C)(=O)=O)cc(C)c1C	759782260	WGCZMBSWVHUTIN-UHFFFAOYSA-N	416.568	4.657	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1	760730826	PEFAHXJTKKDVBC-VZEGMYIASA-N	419.308	4.539	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1	762011708	CTMNIUUJQSCHKJ-YFQSIASUSA-N	414.509	4.583	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	762724441	QZRWHCGZWYMBRV-VHSXEESVSA-N	412.302	4.740	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	765152413	GHXDZSVXNKLVMF-JTQLQIEISA-N	406.335	4.534	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccn(-c2ncccc2C(F)(F)F)n1	768349209	BISHRHNOFQQJJJ-GFCCVEGCSA-N	416.494	4.939	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(Br)c(C(F)(F)F)c1	769096534	ATVROXWTNLNWJW-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
COc1cccc(NNC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)n1	772536858	ISYURVUROWDEPF-UHFFFAOYSA-N	403.866	4.791	50	20	HJGD	
Cc1cc(C[C@@H](C)NC(=O)CCCC[C@H]2CCSS2)n(-c2ccccc2)n1	773089951	KAZGIQDUIXXDBU-UZLBHIALSA-N	403.617	4.942	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1cc(-c2ccccc2)nc2cc(F)ccc12	774780898	ZRTRKAUQCQENLQ-UHFFFAOYSA-N	409.424	4.741	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1	775783870	FFRLHKVADGCKGT-UHFFFAOYSA-N	423.835	4.752	50	20	HJGD	
CCn1c(SCC(=O)NNc2ccc(C(C)(C)C)cc2)nnc1-c1cccs1	780806293	HYHIDJCUBGKTDP-UHFFFAOYSA-N	415.588	4.559	50	20	HJGD	
Nc1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1[N+](=O)[O-]	782909649	BJLCIHVMWLSDLI-UHFFFAOYSA-N	419.353	4.635	50	20	HJGD	
CC(C)[C@H]1C[C@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO1	782987958	QIQFAVIOOZIBPJ-BXUZGUMPSA-N	409.442	4.826	50	20	HJGD	
Cc1cc(-c2ncccc2NC(=O)C(=O)NNc2cc(Cl)ccc2Cl)cs1	783368897	BXIXMEMAFYBBJG-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)CCCC[C@H]2CCSS2)C1	783844150	HRDRYKQVVHEPJB-OAGGEKHMSA-N	402.626	4.653	50	20	HJGD	
Cn1cc(C=NNC(=O)c2ccc(Br)cc2Cl)c(C2CCCCC2)n1	783845345	FEGRHLAIWPLQKW-UHFFFAOYSA-N	423.742	4.648	50	20	HJGD	
Cn1ccnc1SCc1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791734693	PMENYWTZTCDJEC-UHFFFAOYSA-N	407.326	4.776	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1-n1cncn1)C(=O)Nc1ccc(Cl)cc1Cl	794931958	SFXZNVFFTGIPHK-LFYBBSHMSA-N	418.671	4.773	50	20	HJGD	
Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NNc2cccc(Cl)c2)o1	797021467	WNGIHVTVPZWOQU-UHFFFAOYSA-N	404.253	4.644	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12	798143268	LQGCHWJGHJBSGS-UHFFFAOYSA-N	414.897	4.547	50	20	HJGD	
Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)/C(C#N)=C3\Nc4ccccc4S3)n2)cc1	799336397	MJNPZACPFJOTDF-KCMXIOEKSA-N	419.535	4.783	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cc(Br)sc1Br	799755995	NYXVSWSUKFILQE-UHFFFAOYSA-N	418.154	4.901	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccc(C)cc2)C2CC2)c1C	810173726	HOVKGNQPISXSKD-NJLORSEFSA-N	405.542	4.795	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)Nc1ccc(C(=O)O)cc1	810198897	MKQPCPQKCACQBF-KAMYIIQDSA-N	419.418	4.567	50	20	HJGD	
CCOc1ccc(-c2noc(CCC(=O)NNc3c(C)cccc3C(C)C)n2)cc1	812764715	DUFPSTCABVQKDF-UHFFFAOYSA-N	408.502	4.643	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccccc2F)c(C)n1C[C@H]1CCCO1	914481683	TUDCWQRLQSXOHQ-INQHFZPMSA-N	409.505	4.550	50	20	HJGD	
COc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1N1CCCCC1=O	915296684	RFIFHJNHKOECGW-INIZCTEOSA-N	408.589	4.865	50	20	HJGD	
CCOc1ccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1OC	916283716	ONIDXQPIOWGEML-UHFFFAOYSA-N	415.449	4.666	50	20	HJGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c(C)c1	916487733	XRWQGNRCLJJMEH-IBGZPJMESA-N	404.514	4.973	50	20	HJGD	
CCOc1cc(CNC(=O)NNc2ccccc2C(F)(F)F)ccc1OC(F)F	918228679	ZKBNDTGEYZRDBY-UHFFFAOYSA-N	419.350	4.532	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2c(F)cccc2F)c(C)n1C[C@H]1CCCO1	918952826	LLWRUNGMXIEFOI-PEYDCBHGSA-N	414.452	4.774	50	20	HJGD	
COc1ccccc1-c1ccc([C@H](C)NC(=O)NNC(=O)c2ccccc2Cl)cc1	1318901978	QBBIOTZCGCEBMG-HNNXBMFYSA-N	423.900	4.721	50	20	HJGD	
Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)c1	1786615104	DNKNDDSDFWSXAY-FQEVSTJZSA-N	402.897	4.596	50	20	HJGD	
Cc1c(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)ccc(F)c1F	1788588357	NTYOCMNXODVNOH-KRWDZBQOSA-N	410.823	4.555	50	20	HJGD	
C[Si](C)(C)OCC(=O)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1	1789647333	WQNPNLFYHCFEJL-UHFFFAOYSA-N	402.611	4.552	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1	1828189454	UTGSTEWRVUZKLY-OALUTQOASA-N	416.949	4.684	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](Cl)CCC)CC1	1828820764	FCZCQUJTMAHUNQ-QHAWAJNXSA-N	409.014	4.782	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1	1830027500	LOCZWPFPCPAMQL-RTBURBONSA-N	411.373	4.591	50	20	HJGD	
O=C(CCCc1c[nH]c2ccccc12)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	10735534	BFBMJQPOSIXDMS-UHFFFAOYSA-N	421.497	4.819	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2)cc1	23214998	CJNCLRGEJHQCGP-QGOAFFKASA-N	415.424	4.632	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3nnsc3Cl)c2C)cc1	25734619	VHJJRHMXAUFAGN-CXUHLZMHSA-N	412.902	4.558	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNC(=O)CCCc1ccccc1	727689620	WNPIZEADBZXSLM-UHFFFAOYSA-N	412.896	4.505	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)o1	728863265	JHNGEQCPPRZOID-UHFFFAOYSA-N	410.861	4.659	50	20	HJGD	
CC[C@H](C)n1ncc2c(C(=O)NNc3ccnc4cc(Cl)ccc34)cc(C)nc21	729515125	VSDXQFQVFWSNFS-ZDUSSCGKSA-N	408.893	4.669	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)NC1CCCC1	730214665	NKWYECRTTOVOGT-SFHVURJKSA-N	421.925	4.586	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccccc1OCc1ccccc1Cl	730289448	WSKFYPHHKVVYOJ-UHFFFAOYSA-N	403.869	4.646	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cc2ccccc2c2cccnc12	732978009	DBRKDRNHEXPESZ-UHFFFAOYSA-N	415.840	4.848	50	20	HJGD	
CCCN(CC)Cc1ccc(C(=O)NNc2ccc(Br)c(C)c2)cc1	734253327	SQCUEIPREQZIEG-UHFFFAOYSA-N	404.352	4.746	50	20	HJGD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)NNc3cc(F)c(F)cc3F)c12	734553750	XOGRHJWZZCNXEK-UHFFFAOYSA-N	416.359	4.610	50	20	HJGD	
O=C(NNC(=O)C1(c2cccs2)CCCCC1)c1ccc(COc2ccccc2)o1	737771566	CIHUDYRVQAVCBI-UHFFFAOYSA-N	424.522	4.583	50	20	HJGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNc1ncccc1C(F)(F)F	740100067	JORFLUQBAOEEMP-UHFFFAOYSA-N	413.399	4.874	50	20	HJGD	
COc1ccccc1-c1ccc(C(C)=NNC(=O)c2cc(Br)c[nH]2)cc1	741462839	WSSIWZYCSCMRLW-UHFFFAOYSA-N	412.287	4.607	50	20	HJGD	
CCOc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1	742005332	UIXPQGDEQPDVBF-UHFFFAOYSA-N	404.091	4.912	50	20	HJGD	
CC(=O)c1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1	742006371	KSVKRQDQNXJVCD-UHFFFAOYSA-N	402.075	4.715	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1	742962119	KUFWREXSFRUXPE-ZNOFGSDDSA-N	404.510	4.585	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NN=c1cc[nH]c3ccccc13)c(C)n2C1CCCC1	743339025	ICFKQMWQXFZJJN-UHFFFAOYSA-N	414.509	4.800	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cc1NC(=O)c1ccccc1F	746696392	ZFFNPFNWHZJPAM-UHFFFAOYSA-N	415.827	4.936	50	20	HJGD	
O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NNc1cc(F)c(F)c(F)c1	746703528	ZLSUKEZGEWMGNN-UHFFFAOYSA-N	419.350	4.808	50	20	HJGD	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)NNC(=O)CCOc1ccccc1	747102261	KGWKOUARAIKUBE-SFHVURJKSA-N	423.538	4.521	50	20	HJGD	
O=C(COc1ccc2ccccc2c1Br)NNc1cccc2cnccc12	748767180	MKXVJNABHQEFDH-UHFFFAOYSA-N	422.282	4.673	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNC(=O)c3cc4ccccc4o3)cc2)n1	749467006	DMHZAAKQDIKGER-UHFFFAOYSA-N	423.519	4.565	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(Br)c(F)cc1Cl	751350973	JRDSNYPGLJEMGH-UHFFFAOYSA-N	409.086	4.546	50	20	HJGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	756682629	JXFMXIMVVKQVDM-MRVPVSSYSA-N	417.375	4.559	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(F)cc3c2OCOC3)c1C	762926014	NJHZBWXOQCLJCA-LSCVHKIXSA-N	412.461	4.561	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1Br	765614434	VZSHJVXZEWEWFB-XFFZJAGNSA-N	413.206	4.951	50	20	HJGD	
O=C(NCc1coc(-c2cccs2)n1)NNc1c(Cl)cc(F)cc1Cl	768027012	YIGSHYGPGHLTNG-UHFFFAOYSA-N	401.250	4.675	50	20	HJGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1ccc(Br)c(F)c1	771680502	IOFATXJZCQCUFM-GFCCVEGCSA-N	405.189	4.768	50	20	HJGD	
CCC(=O)c1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1	771788230	XXZVRVFFYOJLRJ-ZHZULCJRSA-N	423.476	4.602	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	774122910	ZLTCOVXIEDMNGR-GXDHUFHOSA-N	423.321	4.641	50	20	HJGD	
N#C/C(=C/c1ccc(OCCN2CCCC2)cc1)C(=O)c1ccccc1OC(F)F	775639437	QFIPDGKVTFGBAC-SDXDJHTJSA-N	412.436	4.552	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3ccc([N+](=O)[O-])s3)n2)c1	782181336	YHMOQMNOAVTYCN-MDWZMJQESA-N	410.480	4.942	50	20	HJGD	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NNc1ccc(Cl)cc1Cl	782752233	NGFVQDOMVHWNDL-UHFFFAOYSA-N	417.318	4.862	50	20	HJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)NCc1cccc(Cl)c1	786105472	INIQDXSNTYEBLH-DEDYPNTBSA-N	403.869	4.634	50	20	HJGD	
COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)NNc1nc2ccccc2s1	787463949	JCUONWBHLALFAX-LLVKDONJSA-N	406.895	4.512	50	20	HJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)c3ccc(Br)s3)sc2c1	788686942	CECCQGOLRLQACK-RMKNXTFCSA-N	405.298	4.919	50	20	HJGD	
COc1cc(NNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)ccc1Cl	789155074	NAIGTHALWFGETN-CQSZACIVSA-N	405.779	4.808	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2nc(-c3ccccc3)oc2c1	793086129	RPVGZOFFFOUZEW-UHFFFAOYSA-N	408.801	4.813	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(Br)cn1	793401477	GQJDVUVBBDOOCZ-MRVPVSSYSA-N	404.095	4.538	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccnn1-c1ccccc1C	794869704	MEAOYYGBCSIFIP-WJDWOHSUSA-N	406.873	4.697	50	20	HJGD	
COC(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1C	798054714	URLXEYPALARUFV-ODLFYWEKSA-N	408.502	4.793	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC[C@H]2c2cc[nH]n2)c(C)n1C1CCCCC1	807677971	TYXOOVIVAAACRE-FIWMFUAISA-N	405.546	4.994	50	20	HJGD	
CC(C)[C@H](NCc1ccc(OCCCCl)cc1)c1nc(-c2cccnc2)no1	811487305	WAVUBUZTVOFNRQ-IBGZPJMESA-N	400.910	4.626	50	20	HJGD	
CC(C)(C)c1cnc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1	814696104	FJSIWNNXSKHNEZ-UHFFFAOYSA-N	415.522	4.815	50	20	HJGD	
Cc1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	849205777	QOTQUBXVYKAPOJ-VFAFIFLJSA-N	407.514	4.547	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OC(F)F	864235833	OABALJIQVLLMMS-KPKJPENVSA-N	407.760	4.704	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1	915843339	XHMIXEMIAGMENF-UHVIJJLKSA-N	417.421	4.648	50	20	HJGD	
CC(CCc1ccc(F)cc1)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	917538499	KAIZSVQJXDTHQG-UHFFFAOYSA-N	403.672	4.502	50	20	HJGD	
Cn1cc(C=NNC(=O)c2cc3c(s2)CCCCC3)c(-c2cc3ccccc3o2)n1	920369238	UGUZPXWDGVWOCH-UHFFFAOYSA-N	418.522	4.928	50	20	HJGD	
CC(C)=CCOc1ccc(CCC(C)=NNC(=O)c2nnc(-c3ccccc3)o2)cc1	920385721	VWBAOLZJTAXLNP-UHFFFAOYSA-N	418.497	4.820	50	20	HJGD	
O=C(CCc1nc2ccccc2s1)Oc1ccc([N+](=O)[O-])cc1Br	1122497693	GJDUYFNPENCTRG-UHFFFAOYSA-N	407.245	4.505	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1	1790286739	DZKBLLLWBISKBM-UHFFFAOYSA-N	409.917	4.571	50	20	HJGD	
O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791605685	CKPWAGWIWDFAKI-ILXRZTDVSA-N	409.357	4.751	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC)cc2)n[nH]1	1820605004	CUYZIWAIPFIAMP-PKOBYXMFSA-N	416.953	4.686	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1	1824609264	KLIZUSBTNQORBE-IAGOWNOFSA-N	424.935	4.746	50	20	HJGD	
CC(C)Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)cc1	1827615591	QVMFRHMACYSCNU-LEWJYISDSA-N	422.972	4.653	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1	23042691	NZOIVIBVTDAGRB-NTCAYCPXSA-N	405.435	4.878	50	20	HJGD	
O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)NNC(=O)c1ccccc1F	206215691	BRIQFYJRODOENR-BENRWUELSA-N	400.862	4.682	50	20	HJGD	
Cc1c([C@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C(C)C)oc2ccccc12	732704346	AVZVXDSFXGYSGR-LJQANCHMSA-N	411.527	4.633	50	20	HJGD	
CSc1ccc(N(C)C(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	732939102	KLMCZJIXOMVKMS-CNSVBDKNSA-N	409.555	4.576	50	20	HJGD	
Cc1cc(NNC(=O)CCCc2ncc(-c3ccccc3)o2)ccc1Br	734251199	FLSFJLYTOFBTLG-UHFFFAOYSA-N	414.303	4.879	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c1C	734354510	FJFLPVCGPWIAPV-OEUIMWCGSA-N	405.542	4.624	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3cccc(C(F)(F)F)n3)cc12	740142823	XIYMPXHMPJRLJX-UHFFFAOYSA-N	417.416	4.566	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](O)c2ccccc2Cl)c(C)n1CCC(C)C	740928887	MIARZZJPIBAYKI-GSERBOKHSA-N	413.949	4.561	50	20	HJGD	
CCc1noc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)n1	741817744	CYZPFZIOTPQYLI-UEXNTNOUSA-N	404.470	4.559	50	20	HJGD	
C[C@@H](C(=O)NNc1cccc(Cl)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	742516863	ODTMGJUPNHCEIN-RDTXWAMCSA-N	403.910	4.685	50	20	HJGD	
CCCOc1ccc(CCC(=O)NNc2c(F)cc(F)cc2Br)cc1	742708920	PRKLODDYXMDOQD-UHFFFAOYSA-N	413.262	4.592	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1	744460184	CJUVSKBLBPSOPS-UHFFFAOYSA-N	403.269	4.949	50	20	HJGD	
O=C(NN=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)c1ccccn1	751320298	XBGAXCBCZVXSNR-UHFFFAOYSA-N	421.460	4.504	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1NCc1cccnc1	751359657	ABFMEELDPRBEEP-UHFFFAOYSA-N	403.873	4.652	50	20	HJGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3cccc(C(F)(F)F)c3)c2c1	752142946	ULZNYULWEAMKQB-UHFFFAOYSA-N	401.388	4.897	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cnn1C1CCCC1	752633886	FIUWUCMZDLDSPX-UHFFFAOYSA-N	405.424	4.598	50	20	HJGD	
CC(C)(C)S(=O)(=O)CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752972965	KXDIWYIYDIFFTP-UHFFFAOYSA-N	410.430	4.679	50	20	HJGD	
CCOCCCNC(=O)/C(C#N)=C\c1nc(-c2cc(Cl)ccc2Cl)cs1	753896967	HABPHGQQVQAZGT-WQLSENKSSA-N	410.326	4.567	50	20	HJGD	
Cc1c(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)cccc1-c1ccccn1	755173156	AHYLXMUSCXEOLN-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
COC(=O)c1ccc(NNC(=O)c2cccc(CSc3ccc(C)cc3C)c2)nc1	759729541	XEVULYIXYWNEPA-UHFFFAOYSA-N	421.522	4.534	50	20	HJGD	
CCCC(O)(CCC)CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762666964	QETUVIASJWLANF-UHFFFAOYSA-N	418.428	4.730	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)cc1	765062408	XCDXATBHCMVYTQ-GMYFBSLISA-N	402.498	4.800	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)cc(C#N)n1C	765667722	UBYMRAXKTHIZIU-NVIPHDJISA-N	424.504	4.569	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)c1	768700636	GKFFDTQGPWYQEL-LJQANCHMSA-N	412.877	4.722	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccc(CCC(F)(F)F)cc1	771681640	VPWWKEXUBFLQDP-UHFFFAOYSA-N	405.189	4.840	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc(Br)c1O	772178380	DXWIBINYGNMHEO-BASWHVEKSA-N	408.198	4.621	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc(Oc2ccccc2)o1	779769615	ZTSVJAOCDZACPF-UHFFFAOYSA-N	403.463	4.888	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CC(c3cccc(F)c3)C2)cc(OCC)c1OCC	781577497	ZFHDXASFDLCMIT-UHFFFAOYSA-N	414.477	4.685	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(Cl)cn2)c(C)n1C[C@@H]1CCCO1	781717855	RUQIEJNMJQEDKI-OGKNFVJYSA-N	413.905	4.544	50	20	HJGD	
CC(C)c1c(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cnn1-c1ccc(Cl)cc1	787576453	DNMRIXHOFHMFHK-WJDWOHSUSA-N	406.873	4.900	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2nc(-c3ccccc3F)cs2)cc1	787843704	NBZIGEQMCMOGMQ-WJDWOHSUSA-N	407.470	4.571	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1nc(Br)sc1C1CC1	788299825	ICTXULUBBBXKMV-UHFFFAOYSA-N	406.227	4.559	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nnc3n2CCCCC3)c(C)n1C1CCCCC1	788901020	UQVMNKFYDTWLSJ-ZHZULCJRSA-N	421.545	4.578	50	20	HJGD	
COc1cc(NNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)ccc1Cl	790169819	BCBPYFDECRDQMI-UHFFFAOYSA-N	405.882	4.600	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)c3cnc4ccccc4n3)c2)cc1	790227314	FLBUYFCLFZXOIG-UYRXBGFRSA-N	406.445	4.955	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccc(-n2ccc(C(F)(F)F)n2)c1	791726944	PGBJKXWGXIYZCX-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1c(F)cccc1Br	794479501	GNCWGQVQEHWJLL-UHFFFAOYSA-N	418.291	4.784	50	20	HJGD	
N#C/C(=C\c1ncc(I)s1)c1nc(-c2ccccc2)cs1	794700612	WURIECDFDRGGDL-IZZDOVSWSA-N	421.288	4.935	50	20	HJGD	
CC(C)(C)Nc1ccccc1NC(=O)C(=O)NN(Cc1ccccc1)c1ccccc1	799260329	NEBFXXUVIFPPMY-UHFFFAOYSA-N	416.525	4.574	50	20	HJGD	
CCCc1noc2nc(CC)cc(C(=O)NNc3cc(C(F)(F)F)ccc3F)c12	800522767	BDLFCJLGAMGFNN-UHFFFAOYSA-N	410.371	4.653	50	20	HJGD	
CC(C)c1noc(Cc2ccc(NC(=O)NNc3ncc(Cl)cc3Cl)cc2)n1	801943468	WFCHDQXBZVASCJ-UHFFFAOYSA-N	421.288	4.634	50	20	HJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3ccc4c(=O)[nH]ccc4c3)cs2)cc1	803435264	RIDLXCFDPKKVOZ-UHFFFAOYSA-N	404.495	4.532	50	20	HJGD	
CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1	808783209	LXTQEUKGYSZWPQ-YTFSRNRJSA-N	416.682	4.945	50	20	HJGD	
CC[C@@H]1c2ccsc2CCN1C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	810149808	FLAXBJJLQWQGDR-SKEXYRMPSA-N	411.571	4.817	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1	813050032	SPCVCSXBXHQKGA-UHFFFAOYSA-N	418.469	4.748	50	20	HJGD	
N#Cc1ccccc1OCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	878640408	FCQXJMWGSVGKER-INIZCTEOSA-N	400.809	4.795	50	20	HJGD	
CC(=O)Nc1cccc(OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1	904759153	IZFLBBQGRQUULA-XDHOZWIPSA-N	417.440	4.704	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)CC(C)C)c(C)n1C[C@@H]1CCCO1	914516833	CSOFBTXBTRULOS-BZNKKWMXSA-N	419.569	4.876	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nccn2Cc2ccccc2)c1C	914623514	PAKBFUACDZZFFJ-HAHDFKILSA-N	416.525	4.800	50	20	HJGD	
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	916056350	DIFOHVMBYDJCTE-NHDPSOOVSA-N	418.541	4.964	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1	917489228	SAHRHVKEWSACCR-UHFFFAOYSA-N	422.373	4.937	50	20	HJGD	
Cc1cc(OC(C)C)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	917781935	SEIMIPXBGUXNLI-QCHPHUCNSA-N	421.541	4.925	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1	920929671	IYEBBXIFGXRFFB-UHFFFAOYSA-N	417.416	4.773	50	20	HJGD	
CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CC=C(C#N)CC1)c1cccc(Cl)c1Cl	1295164632	YREDXWTZLRFFPT-QGZVFWFLSA-N	424.328	4.584	50	20	HJGD	
O=C(CCc1ccccc1)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791602906	NSXLIFQQBJRYRN-UHFFFAOYSA-N	405.325	4.557	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)CC1	1823718878	WDFAYQLJKVMJSX-HEQKZDDYSA-N	423.022	4.789	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1Cl	6598259	XGUHYLCNNXAPDB-UHFFFAOYSA-N	415.276	4.500	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc2sc(Nc3ccccc3)nc2s1	10742150	RUKHILFAMBKFRV-UHFFFAOYSA-N	411.468	4.767	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(C)c1OCc1ccccn1	36834851	BLVQWDMERXGGRY-GVTZPHOQSA-N	403.526	4.879	50	20	HJGD	
Cc1ccccc1-n1ccnc1SCC(=O)/C(C#N)=C1\Nc2ccccc2S1	112970792	XSSNSOMPINKWRV-HMMYKYKNSA-N	404.520	4.795	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c(C)n1C1CCCCC1	726531419	XLQQPGPLBDDEIA-KNGGAZFVSA-N	405.546	4.646	50	20	HJGD	
CSCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	727343354	ARJNLFIADPUZKE-FNUHDPNESA-N	409.555	4.693	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cc(Cl)c(Cl)[nH]1	731479013	MWQAFYJVKCGJSN-UHFFFAOYSA-N	417.012	4.860	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2ccc(Oc3cccnc3)c(C)c2)cc1OC	732712021	ZKFWAJOUVXKQRV-UHFFFAOYSA-N	419.481	4.744	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)[C@H](Sc1ccc(F)cc1F)c1ccccc1	733812239	RZTOLTJDAZHQJM-OAQYLSRUSA-N	422.460	4.885	50	20	HJGD	
COc1cc(C(C)=NNC(=O)c2ccc(O)c(Cl)c2)ccc1SC(F)F	734093976	BUTGAFDAEYDHIL-UHFFFAOYSA-N	400.834	4.523	50	20	HJGD	
Cc1nc([C@@H]2CCCCN2C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)no1	737616063	RHCKBAKITYTSHY-PZHBDVNGSA-N	421.545	4.962	50	20	HJGD	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1ccc(Br)cc1	738507521	QCKBMVPZQHKOGW-LLVKDONJSA-N	401.226	4.790	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	740763691	FXQMQGASKLUPPR-WMRWHDLOSA-N	418.928	4.986	50	20	HJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1c(F)cc(F)cc1Br	741978808	QZRPAGDTXIJHPE-UHFFFAOYSA-N	418.241	4.855	50	20	HJGD	
C[C@@H]1C[C@@H]1[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1	743630689	ZNFYXDNPBLPWBA-OREJSRFESA-N	407.901	4.835	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=C(C)C3CCC3)c3ccccc3n2)cc1OC	747629821	JKYVYAGCZBRHQG-UHFFFAOYSA-N	403.482	4.825	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccc(COC2CCOCC2)cc1	752210484	APNWZGYXIZKEJD-FQEVSTJZSA-N	409.617	4.713	50	20	HJGD	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)c1cccc(N(C)C)c1	754699675	CGGCUYNHCZNLIQ-UHFFFAOYSA-N	423.948	4.538	50	20	HJGD	
C[C@H](C#N)CSc1ccccc1NC(=O)NNC(=O)c1c(Cl)cccc1Cl	756481369	XJVRZWJRFBFJIM-LLVKDONJSA-N	423.325	4.712	50	20	HJGD	
C[C@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)c1cccc2ccccc12	756489525	PVPLAPOHCGPQQS-OAHLLOKOSA-N	404.495	4.701	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2CCC(F)(F)F)c1C	757441141	WBTZCRWVEMPRSH-UYRXBGFRSA-N	419.447	4.792	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1sc2cc(Cl)cc(Cl)c2c1Cl	759293000	YYIBUDSLFVHGKJ-UHFFFAOYSA-N	417.661	4.922	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)c(Br)c1O	761013143	VYAOVJBHTGMXCP-FLIBITNWSA-N	420.213	4.972	50	20	HJGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	770031624	XCEYFBFHYURFPC-QFIPXVFZSA-N	418.472	4.952	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNc2ccc3ccccc3n2)c(C)c1	773661247	HIKRYHSONZFPRY-HNNXBMFYSA-N	408.527	4.516	50	20	HJGD	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NNc1ncc(Cl)cc1Cl	775266030	BTFFRTVLAHNAMP-UHFFFAOYSA-N	417.296	4.893	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccccc1OCCOc1ccccc1	775271920	VHXVACGLKSTHSQ-UHFFFAOYSA-N	418.280	4.603	50	20	HJGD	
O=C(NCc1ccc(Cl)cc1F)NNC(=O)Nc1ccc(-c2ccccc2)cc1	777650755	YCRUVKRXQVALAK-UHFFFAOYSA-N	412.852	4.682	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H](c2cc[nH]n2)C1	777885025	SPVPYKFSULZKRP-LLVKDONJSA-N	417.425	4.635	50	20	HJGD	
O=S(=O)(N[C@H](CCO)c1cccs1)c1cccc(S(F)(F)(F)(F)F)c1	777978968	MPNGTDZAOZCZBR-GFCCVEGCSA-N	423.450	4.808	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@H]1C[C@H]1c1ccc(Br)cc1	779201677	UADIUSZUPVAJEX-STQMWFEESA-N	415.209	4.595	50	20	HJGD	
Cn1nc(C(F)(F)F)c(COC(=O)CCCC[C@H]2CCSS2)c1Cl	782298277	RROHCPQSZQIFQG-VIFPVBQESA-N	402.891	4.850	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2C(F)(F)F)cnn1-c1cccc(F)c1	783698877	QFMFRMOICMXOKJ-UHFFFAOYSA-N	406.383	4.740	50	20	HJGD	
N#C/C(=C\c1cc2ccccc2nc1N1CCOCC1)C(=O)c1ccc(Cl)s1	783714323	HCFIRSNTWBPSQO-FOWTUZBSSA-N	409.898	4.576	50	20	HJGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1	785161020	KHAQBIBPPZSFOP-UHFFFAOYSA-N	423.687	4.585	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(Oc2cccc(F)c2F)nc1	786095751	GKOZKFCPRGAZPH-UHFFFAOYSA-N	407.380	4.849	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	788183800	BHUWIYDFYYJALA-UHFFFAOYSA-N	419.865	4.558	50	20	HJGD	
COc1cc(NNC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)ccc1Cl	790179307	OIJLCOFIXCXDRJ-UHFFFAOYSA-N	411.676	4.598	50	20	HJGD	
N#Cc1ccc(OC2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)c(F)c1	803556455	HJYOCBUXLVFPEN-KRWDZBQOSA-N	408.564	4.781	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(Br)c(F)c1	807263007	CMGRILNWBWKWER-UHFFFAOYSA-N	419.250	4.531	50	20	HJGD	
C[C@@H](OCc1ccccc1)C(=NNC(=O)c1cc2ccccc2cc1O)C(F)(F)F	811629905	LASHPPLUYOBIHJ-CQSZACIVSA-N	416.399	4.799	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3CS[C@@H](C(C)C)C3)cc2)n1	814702011	KFNQRWPOQKXFDU-LJQANCHMSA-N	414.600	4.633	50	20	HJGD	
Cc1cc(NNC(=O)c2sc3ccc(C#N)cc3c2C)ccc1Br	815854481	DSGOEBZVWTVGPZ-UHFFFAOYSA-N	400.301	4.909	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccc2c(c1)OCCO2	915855118	KDADDKDEXJHDLG-KAMYIIQDSA-N	406.825	4.917	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1csc(-c2ccc(Cl)s2)n1	920037948	XWFAVQHTSGKSCF-UHFFFAOYSA-N	415.283	4.844	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OC(F)F)c1C	920836431	HVOJYTVKMFHJMZ-OQLLNIDSSA-N	401.369	4.590	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1	1786066372	ZJJJPGDUSNVAFY-OAHLLOKOSA-N	421.379	4.732	50	20	HJGD	
CC(C)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(F)c2s1	1797445290	ULRIWTOPOWWWSM-QDMKHBRRSA-N	422.953	4.557	50	20	HJGD	
Cc1sc2nc([C@H](C)OC(=O)CCCC[C@H]3CCSS3)[nH]c(=O)c2c1C	5755191	ZNZFRWLTGYITHJ-AAEUAGOBSA-N	412.602	4.920	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2F)ccc1OC(=O)c1cccs1	16883052	BEACPFJJVGZUGH-RVDMUPIBSA-N	407.422	4.905	50	20	HJGD	
CC[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1nc(-c2ccccc2)c[nH]1	110589034	FFRHJNDVJNMVAP-IBGZPJMESA-N	417.962	4.678	50	20	HJGD	
CCCC1C/C(=C\c2cnn(CCCl)c2)C(=O)/C(=C/c2cnn(CCCl)c2)C1	728695371	VDASSLYNLWOJLU-ROUMAOROSA-N	421.372	4.803	50	20	HJGD	
Cc1cc(Br)ccc1C(=O)NNc1ccc(Br)cc1Cl	729276755	MMNKYAFUOZOADM-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
Cc1nn(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C	730201109	BMTNRZBYTUOLMD-WOJGMQOQSA-N	407.905	4.644	50	20	HJGD	
Cc1ccc(C[C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c(C)c1	731179501	JMLWMFVHPIMJOR-CJOXTAKTSA-N	419.569	4.555	50	20	HJGD	
COc1ccccc1C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1C	731486683	AKMNHMGPDNRSMH-UHFFFAOYSA-N	410.477	4.620	50	20	HJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1F)C(=O)Nc1nc2ccccc2nc1Cl	733206486	LSUHVCXJNBKRLV-XFFZJAGNSA-N	420.753	4.987	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1C	740944055	MEXTVQJBCSHFNQ-XLCPLWEUSA-N	420.340	4.579	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCCOC2CCCCCC2)c1C	740944437	BVGQLPAGHTXELG-MKYLKIGJSA-N	402.535	4.502	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1	744491605	QWVQIHVLNTZBJT-MPMPPSQCSA-N	423.856	4.534	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NNc3ccc(Cl)nc3)s2)cc1	745821445	QUCJWZGOWFYBAE-LBPRGKRZSA-N	417.922	4.563	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cccc2c3c([nH]c12)CCCC3	748702997	DNPOLNISBAQEPM-UHFFFAOYSA-N	403.404	4.745	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(Br)cn1C(C)C	748731101	GWADZOWUIOHCEZ-UHFFFAOYSA-N	415.129	4.659	50	20	HJGD	
CCCCCn1nc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	748766173	WLUPFXRVBXVHSG-LANLRWRYSA-N	411.550	4.553	50	20	HJGD	
CC(=O)N1CCCc2cc(NC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)ccc21	749229034	BUOIPYVRGJTYAM-UUYOSTAYSA-N	418.541	4.606	50	20	HJGD	
O=S(=O)(Nc1cccc(OCc2cccnc2)c1)c1ccc(CCCCl)cc1	751271411	VJLVOPFNPSICHC-UHFFFAOYSA-N	416.930	4.633	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)c(Cl)c2)cc1	754826970	JWNQPJKKBJTZCB-JYRVWZFOSA-N	418.678	4.607	50	20	HJGD	
Cc1ccc(-c2nc(C=NNC(=O)CSc3nc4ccccc4s3)co2)cc1	755510088	CJOLSZOOLIBQRW-UHFFFAOYSA-N	408.508	4.502	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(F)cc(C(F)(F)F)c1	755682372	NLEQZOPMTLQPBZ-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccccc2SCc2ccco2)c1C	761654941	CQYFRCHWFNTOKB-UHFFFAOYSA-N	411.552	4.820	50	20	HJGD	
Cc1ccc(Cl)cc1NC(=O)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	766260920	XKYWPLMJKBKTAV-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c(OCc2cccnc2)c1	766491213	NCEMBFSFLDKGAX-NDENLUEZSA-N	410.433	4.783	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	770197631	YAALRVUVZMWRFP-IBGZPJMESA-N	410.832	4.690	50	20	HJGD	
CCn1c2ccccc2c2cc(NC(=O)C(=O)NNc3c(F)cccc3Cl)ccc21	770812297	MYMZVWIFENPMEC-UHFFFAOYSA-N	424.863	4.689	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1C	774161401	CHJCXELIFRUYLU-YVLHZVERSA-N	410.543	4.528	50	20	HJGD	
CSc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1	775970273	ACKKZLWVNJASCW-PYIVIEQSSA-N	409.555	4.860	50	20	HJGD	
Cc1ccc(C(N)=O)c(OS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777857991	DLNPONLQHQEFQC-UHFFFAOYSA-N	417.377	4.519	50	20	HJGD	
O=C1C[C@@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c2ccccc21	778058477	LUCRGTAXDLZBEV-CQSZACIVSA-N	413.389	4.950	50	20	HJGD	
COC[C@@H](C)n1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	778243237	DOPPDFWJGJGOTF-VJOZSWGJSA-N	409.534	4.560	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c([N+](=O)[O-])cc1OCC(F)F	778517279	KKCXMFWNSMFDCU-VIZOYTHASA-N	416.380	4.654	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	781040396	KZDCGCHJTJTZPZ-UHFFFAOYSA-N	422.300	4.918	50	20	HJGD	
Cc1cc2c(Br)ccc(C(=O)NNc3cccc(C(F)(F)F)n3)c2o1	785978163	BGNDRGDKMGKETH-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
COc1cccc([C@@H](C)CCCC(=O)NNc2nc(-c3ccccn3)nc(C)c2C)c1	790725540	YUASPDUMYVUBKG-INIZCTEOSA-N	419.529	4.581	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(C(C)=O)ccc2OCC)c1C	799419968	CNAMYBWTJGYTRM-FYJGNVAPSA-N	408.498	4.767	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CCCC34CCOCC4)cc2)cc1	799866457	HLUMOFFWCURHCX-UHFFFAOYSA-N	422.525	4.731	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCCC[C@H]1C(F)F	800646757	DRNSYTNZUJXZGX-NSHDSACASA-N	408.339	4.929	50	20	HJGD	
O=C(NNC(=O)c1occc1CSc1ccccc1)Nc1ccc(Cl)cc1	802015649	VBRVHLMNEXWVNN-UHFFFAOYSA-N	401.875	4.692	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	806864843	UCKWACGQUZQRDV-VNQPRFMTSA-N	419.451	4.607	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)c2ncccn2)c(C)n1-c1cccc2ccccc12	808785238	ZCEJLAQEHSPBSG-RCCKNPSSSA-N	407.477	4.607	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cc(-c2ccccc2)on1	818274212	SCWGMDXNMROLGM-UHFFFAOYSA-N	418.434	4.742	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1	915922953	PZWARNBHEBIZAY-UHFFFAOYSA-N	410.433	4.882	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC(C)C)c2)c1C	917701005	PEEABYWHINECSN-DUQUIBLKSA-N	409.530	4.893	50	20	HJGD	
Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)NNc2nncc(N)c2Cl)c1	1320157341	RFPAJZLJBVIJRA-UHFFFAOYSA-N	420.325	4.582	50	20	HJGD	
O=C([C@H]1CC1(F)F)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124791	GWKNDXAYVDVZLX-QGZVFWFLSA-N	418.956	4.595	50	20	HJGD	
CCOc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OC	3617267	PGIWEEHHSMFLDB-RIYZIHGNSA-N	412.294	4.739	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	303622153	DJEOWBFGAODZMW-HUUCEWRRSA-N	416.559	4.697	50	20	HJGD	
O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)c1cc(Br)c[nH]1	725837648	CCROEVJDIUYDOG-UHFFFAOYSA-N	407.271	4.689	50	20	HJGD	
COc1cc(C(=O)NN=C(C)c2ccc(Cl)c(Cl)c2O)ccc1OC(C)C	727648351	CRQLIYCYFCUNDB-UHFFFAOYSA-N	411.285	4.649	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)Cc3cccc4ccccc34)cc2)oc1C	727838651	JVOAHYKKBLTCAI-UHFFFAOYSA-N	414.465	4.507	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@H]1CCC[C@@H]1CCC(C)C	727847721	RVVWPYGNWLULGZ-AEFFLSMTSA-N	414.575	4.667	50	20	HJGD	
CC(C)c1ccc([C@@H](NC(=O)NNC(=O)c2cccc(OC(F)F)c2)C(C)C)cc1	728599334	BOKVLBDRAIDLHI-IBGZPJMESA-N	419.472	4.753	50	20	HJGD	
CCSc1ccc([C@H](C)NC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	728954708	WOPAECOQAJBXOS-NSHDSACASA-N	412.342	4.811	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cnc3ccccc3c2)c1C	730698870	LHOQOSBQBQWCOU-CBVHTYNASA-N	403.482	4.511	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c(C)n1CC(C)C	732646617	GGCLKFYEPVGOBN-YBFXNURJSA-N	422.504	4.573	50	20	HJGD	
CCCCc1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1	734258391	GNZMNPBRFPKFEP-UHFFFAOYSA-N	415.419	4.657	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)c1C	737725228	RFHZQRNVPZZDTQ-OMNSNBSWSA-N	420.557	4.676	50	20	HJGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1c(F)cc(F)cc1Br	741981001	WXPFSNLQIQNRTR-UHFFFAOYSA-N	420.257	4.578	50	20	HJGD	
Cc1ccc(N2CCOC2=O)cc1NC(=O)NN(Cc1ccccc1)c1ccccc1	743241808	HSHIZNTWFLYOMF-UHFFFAOYSA-N	416.481	4.695	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)N1CCC[C@@H]2CCC[C@@H]21	743951770	SDPJJNRAKJAQCO-BNLOLNQZSA-N	420.884	4.636	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	744502200	NOFKQBCFMCVSBA-LCJWNIEWSA-N	418.493	4.701	50	20	HJGD	
CCCOc1ccc(C(=O)NN=C(C)c2ccc(-c3ccncc3)cc2)cc1OC	745198445	QQRWGWDCWHRBCZ-UHFFFAOYSA-N	403.482	4.700	50	20	HJGD	
COc1ccccc1-c1ccc([C@H](C)NC(=O)NNc2cccc([N+](=O)[O-])c2)cc1	745857918	SYTBUBNQAPQJFE-HNNXBMFYSA-N	406.442	4.658	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1C	746689314	JOJBKIAXTIUDGL-LBPRGKRZSA-N	416.312	4.709	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Cl)cc2Cl)ccc1OCc1cscn1	748018600	GECGABXCTSZGLM-UHFFFAOYSA-N	424.309	4.794	50	20	HJGD	
Cc1cc(NNC(=O)c2[nH]c3ccccc3c2Br)ccc1Br	748606071	DBSPVNLOASYVNJ-UHFFFAOYSA-N	423.108	4.758	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F	748740852	OWMPNMPIXYIVKA-UHFFFAOYSA-N	422.298	4.638	50	20	HJGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3cccc(Br)c3)c2c1	752143110	YXADHEWGMBQJBD-UHFFFAOYSA-N	412.287	4.640	50	20	HJGD	
C[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1CC(C)(C)O	752983575	PSHJVALLOTUYIR-GFCCVEGCSA-N	417.444	4.653	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(-c2ccccc2F)on1	753175756	FJLWWDUHMLVCEZ-UHFFFAOYSA-N	404.239	4.563	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(Cl)cc2Cl)nn1)c1nc(-c2ccccc2)no1	755586468	IRDZLTMNDGMZLN-MDWZMJQESA-N	409.236	4.688	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(O)c3ccccc3n2)sc1-c1cccc(Cl)c1	758298175	BQMGUJQTYWMLCS-UHFFFAOYSA-N	410.886	4.783	50	20	HJGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	759153479	JYBTVQQLKVZCHC-UHFFFAOYSA-N	400.291	4.740	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@H](c1cccnc1)C1CC1	762666617	DXWLVCISPOGDRC-HNNXBMFYSA-N	421.391	4.945	50	20	HJGD	
O=C(Cc1ccc(OCc2ccccn2)cc1)NNc1c(Cl)cc(F)cc1Cl	767406438	GNWAWAOFOHFYLE-UHFFFAOYSA-N	420.271	4.792	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1Cl	769966788	YXNXVVQKQQXNRP-HNNXBMFYSA-N	413.268	4.587	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC	773152140	QNJYWAXKXYTZQP-XGICHPGQSA-N	424.306	4.560	50	20	HJGD	
COc1ccc2nc(NNC(=O)Cc3nc(-c4ccc(F)cc4)cs3)c(C)cc2c1	773636433	HCUPYMOTBQJJEB-UHFFFAOYSA-N	422.485	4.500	50	20	HJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3	774115245	NNGYWMBRRLTNMH-XFFZJAGNSA-N	412.858	4.901	50	20	HJGD	
N#Cc1ccc(NNC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1	775996188	TVXZTVRGRGVBNH-AWEZNQCLSA-N	402.298	4.507	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(/C#N)C(=O)c1ccc(OC(F)F)cc1	776260171	ZNMGWNRQFQUHBZ-UNOMPAQXSA-N	407.420	4.940	50	20	HJGD	
COc1ccc2nc(NNC(=O)CCCc3ncc(-c4ccccc4)o3)c(C)cc2c1	778482089	PKLNDPNWBVXJLH-UHFFFAOYSA-N	416.481	4.673	50	20	HJGD	
CN1/C(=C(/C#N)C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)Nc2ccccc21	782237692	HCQWXGUFBHISDA-RGEXLXHISA-N	414.412	4.535	50	20	HJGD	
C[C@@](O)(CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1	782981566	RDRUYWDJPKFPGU-OAHLLOKOSA-N	417.421	4.530	50	20	HJGD	
Cc1cscc1CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	787586676	DKKXMOBRBKBGLV-UHFFFAOYSA-N	400.394	4.969	50	20	HJGD	
Cc1ccccc1Sc1ccc(C(=O)NNc2nnc(-c3ccccn3)s2)cc1	788560360	MYTAMEPPICSIAX-UHFFFAOYSA-N	419.535	4.817	50	20	HJGD	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCC1(F)F	810440093	PWNSFCHUSXGFSK-VIFPVBQESA-N	408.339	4.786	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1F)c1cccc(Br)c1	812536685	KYCJCMHFASEGBN-VIFPVBQESA-N	416.088	4.598	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=C2CCC(c3ccc(O)cc3)CC2)c1	814835965	GASGQQGHXPHVNH-UHFFFAOYSA-N	417.303	4.607	50	20	HJGD	
COc1ccc(-c2nc(C=NNC(=O)Cc3cccc4ccccc34)cs2)cc1	839426358	KJZKRGBBRNBFPX-UHFFFAOYSA-N	401.491	4.665	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2nccn2C(F)F)c(C)n1C1CCCCC1	913023606	RELSHLDPLZFGRP-PDGQHHTCSA-N	415.488	4.767	50	20	HJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2cccc(Br)c2)s1	914600074	OLLPVQHDUSCPTB-ZMTLZGASSA-N	406.301	4.663	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(OCCN4CCCC4)cc3)n2)cc1	914703171	PMQCDOBQEIPZKX-PGMHBOJBSA-N	400.482	4.584	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1cccc(Cl)c1	916409104	SRQROJZMQZBVDR-INIZCTEOSA-N	412.342	4.567	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2)cc(Br)c1OC(F)F	917143760	SHOACYHOXVTMAU-NTUHNPAUSA-N	408.198	4.849	50	20	HJGD	
CCCCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCOC)c2C)c(C)c1	918663698	XYFKJLDKEGNVSE-QNGOZBTKSA-N	409.530	4.784	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)CCc3cccc(F)c3)s2)cc1	920369776	ANCOXPNWJMTTAZ-UHFFFAOYSA-N	411.502	4.884	50	20	HJGD	
Cc1ccc(Cn2ncc3c(C(=O)NNc4ccc(C)c(Cl)c4)cc(C)nc32)cc1	1317807475	JTPVOJVZKKCDNL-UHFFFAOYSA-N	419.916	4.815	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(OCC#N)c2)c1C	1318450353	XSSKTGHDFKGNDV-HZHRSRAPSA-N	424.504	4.528	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(CCc3ccccc3)o2)c(C)n1C[C@@H]1CCCO1	1345937226	LWSQJIJPQIMLTR-AMUNLKFJSA-N	402.498	4.516	50	20	HJGD	
CC(C)C1(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)CCC1	1789650728	XPXWUUXJDDTZTI-UHFFFAOYSA-N	416.638	4.798	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816690882	VQOHPEJGWXBHAE-WMZOPIPTSA-N	408.974	4.780	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(F)c2)n[nH]1	1820495514	KIZABVVCGDZLQT-MAUKXSAKSA-N	420.916	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2F)CC1	1823902301	LBSDYDOMWPSBQP-WOJBJXKFSA-N	422.972	4.775	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cscc2C)CC1	1827802833	SGCTWPQHYIDSGJ-OALUTQOASA-N	411.011	4.697	50	20	HJGD	
C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1	729532880	MJDCQLIFKKDEOY-MRXNPFEDSA-N	421.463	4.716	50	20	HJGD	
N#C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(OC(F)(F)F)cc1	731197022	LNQHOPNTLGTVRI-GJZGRUSLSA-N	404.479	4.980	50	20	HJGD	
O=C(NNC(=O)C1CCC1)c1oc2ccccc2c1CSc1ccccc1Cl	732142649	GULJVNYPBSKUQS-UHFFFAOYSA-N	414.914	4.940	50	20	HJGD	
C[C@H](NC1(CNC(=O)CCCC[C@@H]2CCSS2)CCOCC1)c1ccccc1	733288529	DCHAFEJEDKPWKE-AZUAARDMSA-N	422.660	4.717	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCCO[C@@H]2CCCc3ccccc32)cc1	733779075	FLKKGDCHTXVYAB-VKCJIPKCSA-N	404.510	4.593	50	20	HJGD	
COc1cccc(C[C@@]2(C(=O)NNc3ccc(F)c(F)c3F)C[C@H]3CC[C@H]2C3)c1	735516509	SLXGXBGLRFTDKK-AYSMAOOMSA-N	404.432	4.605	50	20	HJGD	
Cc1cccn2c(/C=C(\C#N)C(=O)Nc3nc(-c4ccccc4Cl)cs3)cnc12	741471831	PIUWMKMRBDURJW-NTEUORMPSA-N	419.897	4.965	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)c(C)c1	743763771	SEKNDFMIMQGWNJ-UHFFFAOYSA-N	400.885	4.714	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)Nc1ccc(C)cc1Cl)C(C)(C)c1ccccc1	745838858	NBXVHUIVBQCZPM-GOSISDBHSA-N	402.926	4.741	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)NNc1cccc(C#N)c1)c1ccccc1Cl	745842690	GNVCUCAUUVWABY-NRFANRHFSA-N	406.873	4.636	50	20	HJGD	
CC(C)(C)OC(=O)N[C@H](CCC(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	746701322	LUDLFVUBJWXJKS-QGZVFWFLSA-N	423.435	4.593	50	20	HJGD	
CC(C)c1nnc(CCC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)o1	747294263	KXYAWVGLNBCLBI-OAHLLOKOSA-N	407.845	4.984	50	20	HJGD	
Cc1ccc(Cl)c(NC(=S)NNC(=O)c2ccc(Cl)cc2F)c1Cl	747673090	URBBTFRYYRQYMX-UHFFFAOYSA-N	406.697	4.726	50	20	HJGD	
N#Cc1ccccc1OCc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)o1	748010107	XDVMRZAKKRDOSU-UHFFFAOYSA-N	402.237	4.794	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cnc(-c2ccccc2Cl)s1	748058655	TUUKZLLJJOGIAF-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)C1(c2cccc(C(F)(F)F)c2)CC1	748074025	LDYVSULNJLOYRR-UHFFFAOYSA-N	417.200	4.782	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(-c3ccccc3)c(C)nc2O)ccc1Br	750241269	DXHSSJKTEAGKSX-UHFFFAOYSA-N	412.287	4.590	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1	755573969	FGBJWKCDLLVSNJ-UHFFFAOYSA-N	419.478	4.782	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1cccc(CSC2CCCCC2)c1	756599340	ZKZYMYFHSCEICX-UHFFFAOYSA-N	418.950	4.767	50	20	HJGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cc1	758418562	PMBANJFVZSJVQO-XTCQQWIJSA-N	404.249	4.724	50	20	HJGD	
CCCOc1c(Br)cc(Br)cc1/C=C(/C#N)c1ccncn1	758915348	KCYJXWWPRMTOAV-SDQBBNPISA-N	423.108	4.855	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)C2CCC(F)(F)CC2)c(C)n1CC(C)C	763058578	ZJHMKYXESZMJIG-GRSHGNNSSA-N	406.473	4.606	50	20	HJGD	
CC[C@H](NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@@H](O)C(F)(F)F	766327229	QQNNFBGFIBYARH-XROYCOCOSA-N	424.794	4.729	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)OCC(=O)Nc1ccccc1-c1ccccc1	766745250	BHOKLMUMZXSAJT-GOSISDBHSA-N	404.304	4.645	50	20	HJGD	
COc1ccc([C@@H](NCCP(=O)(c2ccccc2)c2ccccc2)C(C)C)cc1	774826947	YOYRHNNJUJCWSE-VWLOTQADSA-N	407.494	4.996	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cnn(Cc4ccc(C(F)(F)F)cc4)c3)nc12	777468002	RSQPKKVKXDHVPK-PXNMLYILSA-N	408.387	4.594	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)O[C@@H]2C=CCCC2)c(-c2ccc(Cl)cc2)n1	781869293	QGSSQRHPNAMUBO-XMJIKXADSA-N	406.873	4.676	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccccc2F)c(C)n1-c1ccc(F)cc1	786607317	ZNCDIKVGWAMIQD-PDGQHHTCSA-N	420.415	4.705	50	20	HJGD	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)CC2)cc1	786993113	XDIHKWYJNNZXOU-KQWNVCNZSA-N	416.521	4.619	50	20	HJGD	
CCCCCn1nc(C(=O)NN=Cc2c(Cl)cccc2CC)c2ccccc2c1=O	788705347	UQIFXBMEVPJGAP-UHFFFAOYSA-N	424.932	4.566	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(Br)cc2)c1C	789930897	JCPWFOUYKAVXDL-NGWPFTMJSA-N	417.303	4.587	50	20	HJGD	
O=C(O)c1ccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	790607251	UWBHSXKZKYILCH-UHFFFAOYSA-N	417.377	4.521	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)nc(O)n2C1CCCC1	791719966	NDCDETJXNHIGTA-UHFFFAOYSA-N	405.285	4.921	50	20	HJGD	
COc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)c(Br)c1	794905536	UANVQYPSGVVZHQ-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1cccc(OC)n1	797750759	JURNTZUMODZAIO-UHFFFAOYSA-N	421.284	4.761	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1	799399150	DYVJSYVTDWLMOM-UHFFFAOYSA-N	407.474	4.621	50	20	HJGD	
C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	805111599	ZOVSYABZKURLNW-DOMZBBRYSA-N	420.469	4.591	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)ccc1Cl	808870181	SNTRBECBYULUSE-SNVBAGLBSA-N	403.788	4.827	50	20	HJGD	
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCO1	815891589	PETFPDQRECFXNQ-AWEZNQCLSA-N	416.412	4.556	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1cccc(Cl)n1	817004831	RPJXNDUISNJFQQ-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccccc2Cl)c(C)n1C[C@@H]1CCCO1	857301432	QTZXRLAEAUOHOR-OCBOALCKSA-N	411.933	4.503	50	20	HJGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccccc1OCc1ccc(Cl)cc1Cl	857487060	SQHVBKGOAKTPOD-UHFFFAOYSA-N	422.699	4.800	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(c3ccc(O)cc3)CC2)c(C)n1CC(C)C	919744320	ZYTOEQWJUASZIC-OEAKJJBVSA-N	405.542	4.780	50	20	HJGD	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)s1	919858718	RPCCFXBSQOWZFT-NFBGKYEXSA-N	415.522	4.618	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C3CCSCC3)cc2)CCC1	1792349236	QHGBLBHRBXADHM-SFHVURJKSA-N	408.995	4.671	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)CC1	1826512561	LGRXDIJGWWSZSU-VXKWHMMOSA-N	419.009	4.565	50	20	HJGD	
CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)Cl)CC1)c1ccccc1	1827603691	CZFONQKDUPWYCZ-QHAWAJNXSA-N	422.972	4.580	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1	1830027495	LOCZWPFPCPAMQL-OALUTQOASA-N	411.373	4.591	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2)cc1	23215134	DZCOHHLJAMUNPQ-XSFVSMFZSA-N	411.461	4.802	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc(OC[C@H]2CCCO2)c1	26163048	XODKPGOPNDBGQC-CQSZACIVSA-N	415.704	4.962	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(-c2ccncc2)n1	63276005	RZCMKOUTJZWISS-CYVLTUHYSA-N	421.460	4.820	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(F)c(F)c2F)cc(Cl)c1OCC(C)C	728718983	ZIPODKNUEMDTAF-UHFFFAOYSA-N	402.800	4.558	50	20	HJGD	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NNC(=S)Nc1cccc(Cl)c1	730597051	QOFASPURCSMQKQ-SNVBAGLBSA-N	416.761	4.843	50	20	HJGD	
Cc1cccn2cc(CNC(=O)/C(C#N)=C\c3cc(C)n(C4CCCCC4)c3C)nc12	732092609	KMNADWYQFSFRBK-BKUYFWCQSA-N	415.541	4.790	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1C	744437752	PBHNZKYFHDWECP-HMAPJEAMSA-N	415.541	4.541	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc2cc(Br)ccc2c1	746294598	VVIQSZZOLKBFPQ-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1cccc2cccnc12	747356074	LANZXZKYDZCNLX-UHFFFAOYSA-N	402.435	4.635	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2ccccc2Br)cc1	748065786	DBSXVMRIFJIIDP-UHFFFAOYSA-N	416.344	4.875	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C	748670911	ZCQMKCFQGIJPQX-UHFFFAOYSA-N	414.443	4.762	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)no1)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	750044498	YGSMYBJGIVIWTI-JJFYIABZSA-N	406.417	4.818	50	20	HJGD	
O=C1CCCN1CC[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)c2ccccc21	751416103	PHJOJIXLYHHUHX-ZWKOTPCHSA-N	418.628	4.843	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc([S@@](C)=O)cc2)c(C)n1C1CCCCC1	752446273	XSJPWVBUSAAJHT-GIHGUXAMSA-N	423.582	4.571	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Br)cc2CC)[nH]c(C)c1C(C)=O	753174131	BRNLELWLUQMCGU-UHFFFAOYSA-N	406.324	4.560	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1c[nH]nc1-c1c(F)cccc1F	755566530	NJANWSCXHMXGKY-UHFFFAOYSA-N	423.448	4.551	50	20	HJGD	
O=C(NN=Cc1cc(F)cc2cccnc12)c1cc(-c2ccncc2)nc2ccccc12	760224447	AUYLEXJAALOELQ-UHFFFAOYSA-N	421.435	4.748	50	20	HJGD	
N#Cc1ccc2[nH]cc(C=NNC(=O)c3cc(-c4ccco4)nc4ccccc34)c2c1	760234270	DKMQFTGIVCCZFF-UHFFFAOYSA-N	405.417	4.612	50	20	HJGD	
C[C@@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H](C)N1CCOCC1	762965195	DXJJUYUGFWWULA-VXGBXAGGSA-N	403.417	4.575	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H](Br)C(C)(C)C	767035622	ULQXIMICGNWGPN-QGZVFWFLSA-N	403.320	4.995	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)c(F)c2)c(C)n1Cc1ccccc1	771691299	MFGKFBCFPSAIDN-UHFFFAOYSA-N	416.294	4.812	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(OCc2ccccc2)nc1	775523233	GDVODSLMTXUXCC-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
O=C(CCc1ccccc1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783461097	LIACJHPHWPHNGN-UHFFFAOYSA-N	415.405	4.782	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)[C@H]1CCCO1	783777606	MQOZAIUNPYHIFE-GOSISDBHSA-N	411.552	4.873	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)c1C	785701957	GIDRKVUOUOZZGP-FYJGNVAPSA-N	420.557	4.849	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C/c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl	786043135	QXRXVFSAPAOPSN-NTEUORMPSA-N	417.840	4.542	50	20	HJGD	
CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)CCCC[C@@H]1CCSS1	786589754	GNFRDIGWWZSOCJ-CYBMUJFWSA-N	419.971	4.695	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)NC12CC3CC(CC(C3)C1)C2	786590914	YBEVPQFMHLUMMO-PIKUFOSFSA-N	411.633	4.717	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(C(=O)N(C)C)cc1	793015647	JOYVIEUUOMVIOQ-UHFFFAOYSA-N	400.482	4.601	50	20	HJGD	
C/C(C=NNC(=O)c1ccc(Br)s1)=C/c1ccccc1OC(F)F	811635414	WVIUAVNAYOWZDW-ZPMPNTEPSA-N	415.259	4.931	50	20	HJGD	
COc1ccc(-c2n[nH]cc2C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1	812447400	RFKTXEUMNWEIBU-UHFFFAOYSA-N	420.469	4.717	50	20	HJGD	
C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(F)cc1	813039167	LDVSZOCVZCMKTF-OAHLLOKOSA-N	422.350	4.912	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCc2cccnc21	817014931	DVLAWMOBYUUFHS-AWEZNQCLSA-N	403.326	4.682	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)c1ccc(Cl)cc1	916254035	DKGHHMAILLPXMF-UHFFFAOYSA-N	407.688	4.905	50	20	HJGD	
CCOc1ccc(-c2nc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])cs2)cc1	917216018	PGKBLYMVSQKDOY-UHFFFAOYSA-N	418.862	4.527	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCN(c2ccc3ccccc3n2)CC1	918047829	QRCCXEDHPYQMKV-SFHVURJKSA-N	401.601	4.598	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCc3c(Cl)cccc32)c(C)n1C[C@H]1CCCO1	919873481	UZSGJTBHRCFKEW-TYFPXSBGSA-N	423.944	4.648	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1csc(-c2ccsc2)n1	920361169	JDTNJPNDWHVWIZ-UHFFFAOYSA-N	416.578	4.724	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNC(=O)c1ccccc1Cl)oc1ccccc12	1320163719	SQFQTQUIMHZINK-UHFFFAOYSA-N	409.829	4.715	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccnc3SC)cc2)CCC1	1789926715	JLZRLFBHHMRZAB-KRWDZBQOSA-N	417.962	4.569	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](Cl)CCC)[C@@H]1c1cccnc1	1803696077	WTFGHFQSXSVAFG-KCLUMXDGSA-N	422.013	4.711	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccccc1F	16408761	LONSHLPFWVPTKQ-DEDYPNTBSA-N	423.451	4.678	50	20	HJGD	
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NNC(=O)c1ccccc1	17171149	KORRRRHXNBQPCH-UHFFFAOYSA-N	419.431	4.507	50	20	HJGD	
CCN(Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(C)C	110227001	GXKXMWWFFVDYNS-UHFFFAOYSA-N	424.423	4.601	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](O)c2ccc(F)cc2)c(C)n1C1CCCCC1	725883540	KXNIWAAESXQIQQ-PGGUJSHWSA-N	409.505	4.506	50	20	HJGD	
O=C(Cc1csc(Cc2ccc(F)cc2)n1)NNc1cccc(C(F)(F)F)c1	728717312	PCBFKKJORAUMJR-UHFFFAOYSA-N	409.408	4.578	50	20	HJGD	
O=C(NC[C@H](O)C1CCCCC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	729554275	XWWWFTYLHJNYTI-ZFWWWQNUSA-N	410.889	4.969	50	20	HJGD	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NNC(=O)c1c(Cl)cccc1Cl	729831027	OUBCWBDNYKRYJU-YLSINNKHSA-N	407.297	4.645	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(CN(C)C(C)C)c2)c1C	731885290	MNCLWJJQEMEVCL-OYKKKHCWSA-N	406.574	4.579	50	20	HJGD	
Cn1c(-c2ccccc2)c(C=NNC(=O)c2ccc(O)c(Cl)c2)c2ccccc21	734093498	JETJRUYDOHHFLT-UHFFFAOYSA-N	403.869	4.968	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)Cc2c(C)noc2C)c1C	737667775	WPLIQFVPGUJYAO-QPNANDPSSA-N	416.525	4.662	50	20	HJGD	
Cc1sc(-c2ccco2)nc1C(=O)Oc1ccc([N+](=O)[O-])cc1Br	739311318	LLARZRCWOGVMJX-UHFFFAOYSA-N	409.217	4.601	50	20	HJGD	
O=C(NNc1ncccn1)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	741669775	RVHVRYRZOKFDQN-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
CN(C)[C@H](C(=O)NNc1c(Cl)cc(Br)cc1Cl)c1ccccc1	742133242	PHPMSZGJZUKQHD-HNNXBMFYSA-N	417.134	4.502	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3cccc(O)c3)cs2)c1C	743465850	IMHNSUCLFSOIDR-ZDLGFXPLSA-N	406.511	4.890	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(OCC#N)cc3)c3ccccc3n2)cc1	744683859	RSAIMAMXZQPEAB-UHFFFAOYSA-N	420.472	4.877	50	20	HJGD	
CC(C)c1ccc([C@@H](NC(=O)NNC(=O)c2cccc3cccnc23)C(C)C)cc1	747461918	IIPIVKZWNDNWMB-NRFANRHFSA-N	404.514	4.700	50	20	HJGD	
COc1ccc(CCC(=O)NNc2ccc(C(F)(F)F)cc2)cc1Br	747590633	BNWBJXSTKRHQPK-UHFFFAOYSA-N	417.225	4.552	50	20	HJGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNc1ccc(Br)cc1F	748171578	VBPWEFOLFLIUMO-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1cccc(C)c1C)c1ccc(C(F)(F)F)cc1	748360781	VAOROHHDLSRCLY-QBFSEMIESA-N	407.461	4.743	50	20	HJGD	
Cc1cc(C)c(NNC(=O)CC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c(C)c1	748369163	ADWYXESXTUHQOL-YQQQUEKLSA-N	401.551	4.623	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNC(=O)c1cc2ccccc2o1	749823181	JWSUETBWDZJGMS-UHFFFAOYSA-N	410.836	4.542	50	20	HJGD	
CCOc1ccc([C@@H](NC(=O)NNC(=O)CC(C)(C)C)c2cccc(Cl)c2)cc1	752704409	IZOZYTDJKHHUAS-HXUWFJFHSA-N	417.937	4.595	50	20	HJGD	
C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNc1cc(Cl)ccc1Cl	752810636	DCAAGBYQPQVHRE-MRVPVSSYSA-N	421.111	4.562	50	20	HJGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	766444076	YMAJJLNNYWGMBB-HUUCEWRRSA-N	415.361	4.910	50	20	HJGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNC(=S)Nc2cccc(Cl)c2)C1	766553382	BOYGTXLHRZYRFK-MAUKXSAKSA-N	411.999	4.813	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C1CCN(c2nc3ccccc3o2)CC1	767405299	NWXITFKZAYPXBL-UHFFFAOYSA-N	423.275	4.633	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C1(c2cccc(Cl)c2)CCOCC1	768011617	OOFVSALIDGEQKP-UHFFFAOYSA-N	417.695	4.977	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	768111290	HDQZYFCBWVPVIK-IBGZPJMESA-N	420.822	4.762	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	771688609	GSXVWRHOPGOVQY-UHFFFAOYSA-N	409.408	4.962	50	20	HJGD	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NNc2ccc3ccccc3n2)C1	775480727	FDEKRLOLPFDXKC-IAGOWNOFSA-N	417.513	4.502	50	20	HJGD	
O=S(=O)(Nc1ccc2c(c1)OCO2)c1cccc(S(F)(F)(F)(F)F)c1	777589033	YJXLXMABLWPTEY-UHFFFAOYSA-N	403.350	4.874	50	20	HJGD	
Cc1cc(Br)c2oc(C(=O)NNc3cccc(C(F)(F)F)n3)cc2c1	782852939	BOMNNQNXINVVSY-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1OC	787152196	WHBHSBSYADCZLK-PNWWAVQQSA-N	408.498	4.667	50	20	HJGD	
Cc1ccc(F)c(C(=O)NNc2ccc(Br)cc2F)c1Br	787454610	DSAIFEHVVAOPFQ-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)c(Cl)c1	792444796	MUTZNNMOGVKCEZ-UHFFFAOYSA-N	416.692	4.516	50	20	HJGD	
COC(=O)[C@@H]1CC12CCN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)CC2	792866520	IHONGGRCXDPCRE-FQEVSTJZSA-N	403.639	4.984	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	803190400	QORRUUOWXJJNHN-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
CC[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H](C)S1(=O)=O	806402529	WJAJJTWOEHOXHO-JQWIXIFHSA-N	422.441	4.773	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1C(F)(F)F	813494950	IGGSETWWIFEQHQ-UHFFFAOYSA-N	419.146	4.549	50	20	HJGD	
O=C(NN=C1CC(c2ccc(Br)cc2)C1)c1cc2ccccc2cc1O	814694441	KIGJJDMZYPXSON-UHFFFAOYSA-N	409.283	4.971	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc(Br)c1O	818260934	UDNFDRFMXKFGMI-WDZFZDKYSA-N	420.213	4.972	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2csc3ccccc23)c1C	915712039	JRDFTPCSWFHMQQ-MWJIIQFGSA-N	407.539	4.750	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1	917855977	GHFUUYYUKOQGJU-INIZCTEOSA-N	420.987	4.646	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1C	918610910	QTIFEBPQSBYXCI-XQNSMLJCSA-N	421.516	4.503	50	20	HJGD	
O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Cl)nc1	1317867919	IJYNXQINGZTHCV-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
CCC(CC)[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cccs1	1317911452	HUXCKWSUZKPYTF-INIZCTEOSA-N	424.364	4.632	50	20	HJGD	
O=C(NC[C@@H](CO)CC1CCOCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	1321228340	XDBOMGMXIBQKAO-ZDUSSCGKSA-N	418.428	4.891	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)c1C	1337490136	ZJSQVSRCIMOUPA-JFLYLQGUSA-N	407.562	4.783	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(CCc3ccccc3)o2)c(C)n1C[C@H]1CCCO1	1345937229	LWSQJIJPQIMLTR-ZPWPBLDLSA-N	402.498	4.516	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc[nH]c4nccc3-4)CCC2)cc1	1786444812	VEMGLNJKOOBDPR-LJQANCHMSA-N	424.932	4.670	50	20	HJGD	
O=C(CCc1cccs1)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1786950801	VEXODQUSVUZLFU-UHFFFAOYSA-N	411.354	4.619	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	15960719	XBHRIYVUZLGELW-DZSAKIAFSA-N	405.542	4.954	50	20	HJGD	
Cc1c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)oc2ccccc12	17448612	BUXCGUDYJNGZRU-UHFFFAOYSA-N	418.424	4.534	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2C)c1C	24013094	YJJSAPPMWFMBCA-YRXLECQKSA-N	421.541	4.999	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)c1sc2cc(C)ccc2c1Cl	729688745	ZDNDSCCSFMRGGK-UHFFFAOYSA-N	405.932	4.503	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1ccccc1	730157862	VOIFKSVRVYFCHK-LJQANCHMSA-N	414.889	4.774	50	20	HJGD	
Cc1cc(C)cc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	730501490	DIROEMHRAVGLNJ-LKWIYPIYSA-N	405.542	4.685	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C(c1ccccc1)c1ccccc1	732976966	VGPVRJURSOZAFS-UHFFFAOYSA-N	404.857	4.665	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2cc(C(C)C)no2)c1C	733945843	AFOOWRMXJWTXII-JAIQZWGSSA-N	402.498	4.737	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1	734246765	QHLXURJQNYNTPX-UHFFFAOYSA-N	424.291	4.998	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3cc(F)c(F)cc3F)cc2)n1	734554847	KXIVUPVFDHYMDS-UHFFFAOYSA-N	409.458	4.918	50	20	HJGD	
C[C@H](NC(=O)NNc1c(F)cccc1F)c1cccc(NC(=O)c2ccccc2)c1	735755417	FDIKVSLPISLIFL-AWEZNQCLSA-N	410.424	4.604	50	20	HJGD	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1	741507958	QPUCZJRNZRFGTN-UHFFFAOYSA-N	407.436	4.580	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1	743058807	LQZMDKCIWLUISH-TYJAPOHBSA-N	417.914	4.545	50	20	HJGD	
CCCc1c(C(=O)NNc2cc(F)c(F)cc2F)nnn1-c1cccc(C(C)C)c1	743415322	WCJIGFHZZLXXDI-UHFFFAOYSA-N	417.435	4.517	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2	748088359	UUSYPIRGIAZDMI-UHFFFAOYSA-N	405.260	4.564	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@@H](Oc1ccccc1)c1ccccc1	748703671	YGOZEAGMUMCRMW-FQEVSTJZSA-N	416.399	4.891	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccnc(Oc2ccccc2)c1	749265407	LTRUYNKKOKCQAT-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(-c2ccccc2)cc1OC	749817634	MLKPSQOXNOMDBR-UHFFFAOYSA-N	400.434	4.881	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)ccc1OCC(F)(F)F	750899529	IPUBGWBFSJSXAZ-OQLLNIDSSA-N	420.387	4.581	50	20	HJGD	
CCNC(=O)C1(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCC1	752991360	VDKJIFONCYIOJJ-UHFFFAOYSA-N	401.401	4.772	50	20	HJGD	
COCCc1nc2cc(NC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)ccc2o1	753327854	UBHBZUUAZAZBPZ-YBFXNURJSA-N	420.513	4.637	50	20	HJGD	
COc1ccc(C2(C(=O)NNc3c(Cl)cc(F)cc3Cl)CCC2)cc1OC	754411593	WLRZMDKNQAKZJD-UHFFFAOYSA-N	413.276	4.715	50	20	HJGD	
Cc1cc(NNC(=O)c2cnc(Cc3ccccc3)s2)ccc1Br	755802993	ITPIHXMZFPIUKN-UHFFFAOYSA-N	402.317	4.562	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)nc1	756561251	DJAWXUVHWFMZMO-UHFFFAOYSA-N	420.513	4.551	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cnc1Cl	760226269	RSQBVYBNSVGELB-UHFFFAOYSA-N	409.902	4.516	50	20	HJGD	
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762638603	IFEWHGLCBGRBGW-UHFFFAOYSA-N	419.375	4.813	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Br)c(C)c2)cnn1-c1ccccc1C	771430917	DNNUMYWQKAQWIT-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
Cn1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)c(-c2ccccc2)n1	771526461	AQLULJBZUDFMPD-ZROIWOOFSA-N	409.243	4.822	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(C(F)(F)F)cc2Cl)c1	774806279	NPTNHFNIQUJONG-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(-c2ccncc2)nc2ccccc12	775276117	ABUHLXHQNFHKRS-UHFFFAOYSA-N	410.264	4.756	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)sc1-c1cccc(Cl)c1	776532689	DQYVEDRWZJSYHB-UHFFFAOYSA-N	420.943	4.537	50	20	HJGD	
CN(C)c1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)nc1	777667267	DUTZHCUUTMAIFS-UHFFFAOYSA-N	403.398	4.606	50	20	HJGD	
Cc1nc(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)sc1C	782986193	XSAYMXNBKBNEIM-UHFFFAOYSA-N	422.466	4.938	50	20	HJGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN=Cc1cn(C)nc1C1CCCCC1	783813259	KRDBYAKCDVGFBT-INIZCTEOSA-N	416.953	4.656	50	20	HJGD	
Cn1cnc2cc(NC(=O)C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)ccc21	784972835	RKPCSHBWMRUYHQ-UHFFFAOYSA-N	420.363	4.808	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ncc(-c2ccc(Br)cc2)o1	785349842	CTVRFUAAKPYJSZ-YBEGLDIGSA-N	409.239	4.754	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)N1c2ccccc2CCc2ccccc21	785378900	UPFFKIOSHXQSRB-CJLVFECKSA-N	408.457	4.600	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)ccc1Cl	788567488	GWGFJLQHAXPNEG-UHFFFAOYSA-N	423.750	4.700	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)ccc1Cl	788605445	KBIYKYCCTTUHIM-UHFFFAOYSA-N	420.897	4.522	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2c(F)cccc2OC(F)(F)F)cc1	789148484	PUXCFITXTFKEIQ-LQELWAHVSA-N	408.351	4.517	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccc(-n2nccc2C(F)(F)F)c1	791727235	TVGYZCRZZNODHA-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Nc1cc(F)cc(F)c1	796588376	QRMXDSOQTJIIAS-UHFFFAOYSA-N	409.318	4.589	50	20	HJGD	
COC(=O)Nc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1C	798054719	URLXEYPALARUFV-YBFXNURJSA-N	408.502	4.793	50	20	HJGD	
O=S(=O)(NC[C@@H](CO)CC1CCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	798474112	XZXQUAKAZMBYQA-ZDUSSCGKSA-N	423.469	4.811	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC[C@@H](c4cccnc4)C3)s2)cc1	799873920	OWSVAAQIIJEWRS-MRXNPFEDSA-N	420.538	4.845	50	20	HJGD	
C=CC[C@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccccc1	804206517	HSDSNMDTAVPFJN-SFHVURJKSA-N	412.415	4.965	50	20	HJGD	
Cc1csc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1Cl	804209839	MRDJOHAVVLSIHO-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](c2ccsc2)N(C)C)c(C)n1CCC(C)C	914506072	NEQHQKPQUJCKLJ-BYUJNSPJSA-N	412.603	4.539	50	20	HJGD	
COCc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	916058573	VNOMOUZGSYVEAY-DEDYPNTBSA-N	403.457	4.925	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1c[nH]c2ccccc12	916287894	PMVMCEFHVUXWNH-UHFFFAOYSA-N	408.801	4.753	50	20	HJGD	
COc1ccc([C@H](NS(=O)(=O)c2ccc(CCCl)cc2)c2ccccc2)cc1	917856962	BHXGYAORPVSSEA-JOCHJYFZSA-N	415.942	4.544	50	20	HJGD	
CCOc1ccc(Oc2cc(CNC(=O)NNc3ccccc3Cl)ccn2)cc1	918090694	JZSDETYLPUOLAH-UHFFFAOYSA-N	412.877	4.752	50	20	HJGD	
CC[C@@H](NC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1OC	918207546	FDEAJIKHGGZIIQ-CYBMUJFWSA-N	402.804	4.540	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(OC(C)C)cc2)c(C)n1C[C@H]1CCCO1	918532474	ULJUOEYYUQHWFG-LYRGBEMXSA-N	422.525	4.722	50	20	HJGD	
C[C@@H](Sc1ccc(Br)cn1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	919676607	IKSIOELSPGDIJV-IDWSFWJTSA-N	418.341	4.847	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccnc3)CCC2)cc1	1786442208	AVKJLFQUMJSOKQ-BESKYLIDSA-N	411.933	4.636	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCCc3ccncc3)cc2)CCC1	1786908159	CCNNYNGDCALCRJ-FQEVSTJZSA-N	413.949	4.556	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)no3)cc2)CCC1	1790162017	BWHHYIMVPPYXEG-INIZCTEOSA-N	403.910	4.563	50	20	HJGD	
CC(C)c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)cc1	1827614113	KXTLRRXHZOVGFU-UNMCSNQZSA-N	422.972	4.507	50	20	HJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC	6427460	VHXXUPVOXSCDJI-XNTDXEJSSA-N	415.276	4.950	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2occc2COc2ccccc2)cc1	14336256	RTRUKAHXAUHOCQ-UHFFFAOYSA-N	423.538	4.833	50	20	HJGD	
Cc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1OCC(F)F	726765478	BULMOQOFOWUQIE-UHFFFAOYSA-N	403.878	4.611	50	20	HJGD	
O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C/c1cnn(CCCl)c1	728700004	KLYDBPOSJVUMFI-YBEGLDIGSA-N	408.914	4.505	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-]	730151985	WOELRUMGDHIVTC-LGMDPLHJSA-N	415.405	4.941	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c1C	734783900	WPKMFYWTBYKTSA-HQXXTQMQSA-N	418.585	4.764	50	20	HJGD	
CCc1nc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)nn1-c1ccccc1	735420175	MXGNNDZNWUIMFF-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
C[C@H](COCC(F)(F)F)NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	743287204	WLADPAHMFYDZKD-KCJUWKMLSA-N	424.794	4.995	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3ccc(Br)c(C)c3)s2)cc1	743416631	RUECWPIKVBZMMA-UHFFFAOYSA-N	418.316	4.647	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2nccs2)c(C)n1-c1ccc(Cl)cc1	746361732	ROUIBBKROAPATB-GZTJUZNOSA-N	410.930	4.770	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1C(F)(F)F	746889256	MHFAISWSHLPEEO-UHFFFAOYSA-N	415.396	4.955	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNc1ccc(OC(F)F)cc1	748637806	DKRZHLWZHICTEA-UHFFFAOYSA-N	407.804	4.672	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(OCC(F)(F)F)nc1	748673094	WBJIOXIEBTWLAU-UHFFFAOYSA-N	409.433	4.973	50	20	HJGD	
O=C(/C=C/c1nc2ccccc2s1)NNc1ccc(Br)cc1Cl	748776903	ZDFXKGBHZXNQCU-BQYQJAHWSA-N	408.708	4.869	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@@H]([C@@H]2CCOC2)C1	750282979	DNGHILOKWTYCIZ-JMSVASOKSA-N	408.873	4.796	50	20	HJGD	
CCOc1ccc([C@H](NC(=O)NNC(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1	752703472	GTKVMUDJLWBMMS-SFHVURJKSA-N	419.909	4.567	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	753683084	LSHBEUYTJOYHTH-NTEUORMPSA-N	420.271	4.515	50	20	HJGD	
CCn1nccc1C=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	753692302	HDNMDNYNRSWUKK-UHFFFAOYSA-N	424.504	4.913	50	20	HJGD	
CCN(Cc1ccccc1)c1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)cc1	755855237	STSXYXMOKOQEEL-UHFFFAOYSA-N	420.460	4.945	50	20	HJGD	
CCc1cc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)nc(C)n1	760618150	UQFPUQLHICJEOK-UHFFFAOYSA-N	403.398	4.806	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2noc(-c3ccccc3C)n2)c1C	761047173	HZOTUDIRMNPUHR-XDHOZWIPSA-N	404.470	4.524	50	20	HJGD	
Cc1cccc(CCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762647147	GGRACCHLISTZAW-UHFFFAOYSA-N	408.392	4.950	50	20	HJGD	
CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C(/C#N)c1nnc2n1CCCCC2	763289796	KFCQAADIGUOMKV-RGEXLXHISA-N	400.530	4.611	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)OCc1nc(-c2ccc(F)c(F)c2)no1	767989337	ZOMPMFOLEZUGGA-LBPRGKRZSA-N	400.472	4.772	50	20	HJGD	
N#CCCCn1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c2ccccc21	768104549	ISQIKITZHFZNGP-UHFFFAOYSA-N	404.367	4.860	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(CCC(=O)N2CCCC2)cc1	769976677	FSSPYKGJXFOVHP-UHFFFAOYSA-N	421.328	4.697	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCSC[C@H]2c2nccs2)c1C	770184984	YZZFNNJYAOMEEP-OVCORXIESA-N	414.600	4.585	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3c(F)cccc3Cl)cc(-c3ccco3)nc21	770190187	BHBAYJNRELSPSY-UHFFFAOYSA-N	413.840	4.822	50	20	HJGD	
CCC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	772968860	SNFOGOHCDPDQFR-CYBMUJFWSA-N	407.426	4.866	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1	775243017	GRAKPEFGPKUBKI-UHFFFAOYSA-N	415.375	4.501	50	20	HJGD	
CN(C)CC1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCCC1	778070645	AOMZETIXDSLADA-UHFFFAOYSA-N	422.485	4.744	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1	783447672	KGTDJEZNPDLVQI-UHFFFAOYSA-N	415.827	4.675	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC([C@H]2CCOC2)CC1	784385426	MXLLQPRVCWEMGF-ZDUSSCGKSA-N	421.453	4.781	50	20	HJGD	
C[C@@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@H]([C@@H](C)O)C1	785532858	CTEXZTHZQYXOLG-GYSYKLTISA-N	409.442	4.514	50	20	HJGD	
CN(NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1	790923334	ZDDBXBMDCZPLRF-LJQANCHMSA-N	407.436	4.524	50	20	HJGD	
Cc1cccnc1NNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1	791222413	IGYJSNAMNUTCBM-UHFFFAOYSA-N	414.874	4.860	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](c3ccccn3)C2)c(C)n1-c1ccc(F)cc1	798709701	VGFNSBWKKWZHCL-KNGGAZFVSA-N	414.484	4.551	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(F)F)cc2F)c1C	801073956	HXDQXLLBTCTILD-TUTDSIAXSA-N	421.419	4.599	50	20	HJGD	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1cccc(F)n1	804770519	GGFXXYARTVTVNR-UHFFFAOYSA-N	409.248	4.892	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Nc1cccc(F)c1F	806237175	XTLJSEFNIILBTI-UHFFFAOYSA-N	409.318	4.589	50	20	HJGD	
COc1ccc([C@@H](CNC(=O)NCCSSC)c2c[nH]c3ccccc23)cc1	806290605	MXSANVICZPGJAD-GOSISDBHSA-N	415.584	4.619	50	20	HJGD	
CC(C)c1scnc1C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	810022676	WANUDTNOLLGZPR-UHFFFAOYSA-N	422.885	4.570	50	20	HJGD	
COc1ccc(NNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c(C(F)(F)F)c1	816702081	XLDPWKNFSWKXFD-ZDUSSCGKSA-N	406.326	4.893	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(C)n1CC(C)C	914542352	UCOAOIACQJUFNM-AIAVXMCLSA-N	419.569	4.640	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(C(C)(C)C)o2)c1C	914882422	NZJWTBNLYMZURO-XDHOZWIPSA-N	418.497	4.733	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)o2)c([N+](=O)[O-])c1	915843018	HSTSBEFHPMFFQJ-PTNGSMBKSA-N	403.394	4.718	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1	915846926	BAEVHYNNPSWJRG-NTCAYCPXSA-N	424.863	4.918	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3F)c2C)cc1	915984207	RFIHDDJKSPZHDR-WJDWOHSUSA-N	422.435	4.712	50	20	HJGD	
CCCCc1ccc([C@H](NC(=O)NNC(=O)c2ccccc2O)c2cccs2)cc1	916204199	KBEFCOGIFADPHR-NRFANRHFSA-N	423.538	4.530	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3cnco3)cc2)c1C	918628849	QQCABIMNVHNSIQ-OVEPSTSESA-N	404.470	4.513	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1	1786010488	LNBUTUALPKRRDO-UHFFFAOYSA-N	409.313	4.946	50	20	HJGD	
CC(C)CCC(=O)NC1(c2ccc(NC(=O)[C@H](C)CBr)cc2)CCC1	1786070390	OBUPGQOLWCFZFG-OAHLLOKOSA-N	409.368	4.588	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1	1786443065	VPQOJDUXSICWCW-PBHICJAKSA-N	412.908	4.963	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cc2cccnc2s1	1788970271	LWHVDUTVAGCOBR-MRXNPFEDSA-N	417.893	4.578	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)CCC1	1790336302	YGIDERUKZMXDEF-INIZCTEOSA-N	406.860	4.730	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)CCC1)C(Cl)Cl	1791531587	HJSAJDFYTYSMAU-QZTJIDSGSA-N	417.336	4.728	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc4ccoc4c3)CC2)C1	1806164984	QUBQOHJTGNVHQC-LJQANCHMSA-N	416.949	4.685	50	20	HJGD	
CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)[C@@H](F)Cl)CC2)C1)c1ccccc1	1809158859	WJQXYYSGDODVPQ-YSIASYRMSA-N	422.972	4.582	50	20	HJGD	
Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)s1	1824010604	BQOZFWLKTCFGRV-QGZVFWFLSA-N	411.011	4.555	50	20	HJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	726428390	LKVSDCMCLOOUBF-CQUHBBLWSA-N	400.438	4.970	50	20	HJGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1	727683111	CWEFWZPOGXTUHO-MRXNPFEDSA-N	410.433	4.550	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2c(c1)C[C@H](C)O2	727744423	HEENUPRZWXCWLJ-CUTJPZLCSA-N	402.372	4.583	50	20	HJGD	
Cc1cccc(C2(C(=O)NNC(=O)c3c(Cl)cccc3Cl)CCCCC2)c1	727792000	CZLBRGBCENWXQW-UHFFFAOYSA-N	405.325	4.965	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2csc(-c3ccc4c(c3)OCO4)n2)c1C	728569068	IVADALRFBAAZAO-RQZCQDPDSA-N	417.490	4.933	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1C[C@@H]1c1ccc(Br)cc1	729515167	VYRUOOYFOWGVKI-HZPDHXFCSA-N	416.706	4.898	50	20	HJGD	
O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NNc1cccc(Cl)c1	730275706	UMMNZIGTWNFKGA-UHFFFAOYSA-N	406.939	4.609	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1	733920478	LJTKNGUMCFJCPP-UHFFFAOYSA-N	406.933	4.899	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cccc2ccccc12	743441727	MMZNBLXKOOLYMM-LJQANCHMSA-N	408.885	4.815	50	20	HJGD	
Cc1nccn1CCCN(C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	747215288	UYYMTTIXNOOAKP-HNNXBMFYSA-N	420.888	4.965	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H](c1ccccc1)c1ccc(Cl)cc1	749543406	PPJIVSFCDMUGCQ-OAQYLSRUSA-N	419.868	4.820	50	20	HJGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	749886322	LBEYFJMJNZNXKA-WZUFQYTHSA-N	417.824	4.993	50	20	HJGD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)Oc3ccc([N+](=O)[O-])cc3OC)c12	751164752	GHBUSPGGHFXSEI-UHFFFAOYSA-N	423.381	4.571	50	20	HJGD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757425513	OHDDKQTWZMEMEH-OAQYLSRUSA-N	402.406	4.618	50	20	HJGD	
N#CCOc1cccc(CC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	760367000	CCXDYDKJVUAJFM-QGZVFWFLSA-N	414.836	4.989	50	20	HJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)s1	772858201	CFQLYUWYYMNYBU-UHFFFAOYSA-N	420.321	4.809	50	20	HJGD	
N#CCc1ccc(Oc2ccc(C(=O)NNc3ccc(C(F)(F)F)cn3)cc2)cc1	775251239	NDXVOFKSYLZXGS-UHFFFAOYSA-N	412.371	4.716	50	20	HJGD	
C[C@H](C#N)Oc1ccccc1NC(=O)NNc1ccc(Br)cc1Cl	780671799	VIBFZKYHXRORRX-SNVBAGLBSA-N	409.671	4.542	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc(OC)c1C(C)C	781349423	ZTJMFXDJSRQABV-UHFFFAOYSA-N	412.408	4.525	50	20	HJGD	
Cn1nc(Br)cc1/C=C(/C#N)c1nc2cc(C(F)(F)F)ccc2s1	782323258	LRUXRIXIVXTQIY-YWEYNIOJSA-N	413.222	4.875	50	20	HJGD	
CC[C@H](C)Oc1cccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1	782822089	WZXNZPOBLLEUOQ-SFHVURJKSA-N	403.482	4.672	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC([C@@H]3CCCO3)CC2)c(C)n1C1CCCCC1	784644014	SYRGHWJWGGCLHY-KZVLXBEFSA-N	409.574	4.935	50	20	HJGD	
C[C@@H](OC(=O)[C@H](Br)C(C)(C)C)c1nnc(-c2cccc(Cl)c2)o1	784734065	YYVFIWUWBYIWGX-SKDRFNHKSA-N	401.688	4.804	50	20	HJGD	
O=C(O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	790611437	HOBFQHLPCSATOX-XYPYZODXSA-N	423.425	4.513	50	20	HJGD	
O=C(O)CC[C@@H]1CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	790620932	IQQKGNRDGDMBAD-NSHDSACASA-N	423.425	4.610	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCc3ccc(F)cc32)c(C)n1C[C@H]1CCCO1	794058869	IUNCSCZJIUDASH-SONLXIDRSA-N	421.516	4.524	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(Cl)nc3cc(Cl)ccn23)cc1Cl	794695265	NAGKGANSEJIESL-UXBLZVDNSA-N	421.671	4.849	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	801647181	FCIIHZUUYMATLC-ZROIWOOFSA-N	412.280	4.737	50	20	HJGD	
C[C@H](C(=O)Nc1cccc(NCc2ccc(OCCCCl)cc2)c1)n1cccn1	811468746	GNFPHHPXUUTTAR-QGZVFWFLSA-N	412.921	4.703	50	20	HJGD	
O=C(NN=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl	811635380	VZTNJTSVRYUVNU-UHFFFAOYSA-N	407.040	4.972	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H](c1c(Cl)cccc1Cl)C1CC1	812499509	LHOHUGNTOBPLIN-GOSISDBHSA-N	417.296	4.570	50	20	HJGD	
Cn1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(C)(C)C)n1	817013429	MLSLUWGGMGDPEP-UHFFFAOYSA-N	408.346	4.512	50	20	HJGD	
CN(Cc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1)C(=O)C(F)(F)F	915073048	VPLHHKATLDRXTM-HNNXBMFYSA-N	420.522	4.860	50	20	HJGD	
COc1cccc(-c2nc(C=NNC(=O)CCSc3ccc(F)cc3)cs2)c1	916345742	CTLUOLYHSIQIFH-UHFFFAOYSA-N	415.515	4.590	50	20	HJGD	
Cc1ncc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)s1	916507077	ZWCJDTVVCWKQQC-VCHYOVAHSA-N	408.502	4.564	50	20	HJGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1)c1ccccc1	916517566	AHYCKAQRZBZGNZ-JOCHJYFZSA-N	419.529	4.507	50	20	HJGD	
O=C(Nc1cc(N2CCCC2=O)ccc1F)NN(Cc1ccccc1)c1ccccc1	916716693	QBLSLAXNPKYSNI-UHFFFAOYSA-N	418.472	4.696	50	20	HJGD	
COc1cccc(C[C@@H]2CCCN2CCP(=O)(c2ccccc2)c2ccccc2)c1	917206156	UXGRYHNDGGCHAH-QHCPKHFHSA-N	419.505	4.716	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1	1790468835	PONLJLMCETZVEZ-YJBOKZPZSA-N	419.363	4.650	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Nc3ccccc3)CCC2)cc1	1790487471	XGGXYNLSSLYTCX-UZLBHIALSA-N	413.949	4.639	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1	1830309903	MECOSBMRPVTTLW-FCHUYYIVSA-N	416.993	4.815	50	20	HJGD	
O=C(c1ccc(C2CC2)cc1)N1CCC([C@H]2CCCCN2C(=O)C(Cl)Cl)CC1	1831880129	QOSWCNBKQCXTRN-LJQANCHMSA-N	423.384	4.601	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	23778602	ISEHSJRJVGPYJJ-LPYMAVHISA-N	405.523	4.503	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)Nc2ccccc2F)cs1	211424711	YUYXOFMPNUWWTL-PTNGSMBKSA-N	406.442	4.512	50	20	HJGD	
CCc1ccc(-n2nc(C(=O)NNc3ccccc3C(F)(F)F)c3c2CCC3)cc1	303244045	ABOSPHFSVXCJRI-UHFFFAOYSA-N	414.431	4.699	50	20	HJGD	
O=S(=O)(c1ccc(CCCCl)cc1)N(Cc1ccco1)Cc1cccs1	726971997	IJCOZHKPDYOZEU-UHFFFAOYSA-N	409.960	4.904	50	20	HJGD	
CC(C)[C@@H](SCc1ccccc1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	727366095	GXGDVFOTIWTCFO-QGZVFWFLSA-N	411.354	4.712	50	20	HJGD	
Cc1cc(NC(=O)NNc2ccc(Br)cc2Cl)n(C(C)(C)C)n1	729492029	OAYSDPHOTRDVNR-UHFFFAOYSA-N	400.708	4.511	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])c(F)c2)cc1	730210888	YAEKTQXSVUFFLV-UHFFFAOYSA-N	415.808	4.820	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1csc(-c2cccc(C(F)(F)F)c2)n1	730289273	IVQIVPQIPGIISS-UHFFFAOYSA-N	414.412	4.556	50	20	HJGD	
CCc1nnc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)o1	732309875	JFOOFRWAPUQVKU-HAKPAVFJSA-N	424.888	4.904	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)o1	734305962	IPCWHACFCQXRIN-PTNGSMBKSA-N	404.397	4.711	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1cccc(C(F)(F)F)n1	740137669	DDXBRNLPIXSTGP-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2cc(F)c(F)cc2F)c1	743415300	VCTRWLUPFSRDCI-UHFFFAOYSA-N	413.827	4.889	50	20	HJGD	
COC(=O)COc1c(C)cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1C	746342207	OAVBRBMRCQSQPF-LZYBPNLTSA-N	422.868	4.780	50	20	HJGD	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1cccc(C#N)c1	748048132	FUTNCPWBUMLVCD-CYBMUJFWSA-N	412.902	4.632	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1csc(Cc2ccccc2F)n1	748074990	REHSLOHIQFRQPF-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NNc2ccccc2Cl)cc1	748305592	DTQRPBLZGCLQEH-UHFFFAOYSA-N	413.817	4.806	50	20	HJGD	
CCc1c(C(=O)NNc2cc(C)ccc2C)cnn1-c1ccc(Br)cc1	748415302	JVOBTQJCSHZXDP-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cc(-c2cccs2)n(-c2ccccc2)n1	748762862	CWWRSWWNSLRRAO-UHFFFAOYSA-N	411.490	4.906	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2cc3cc(C)c(C)cc3o2)c1	749814329	AGKVTHHJYRLGIV-UHFFFAOYSA-N	401.260	4.585	50	20	HJGD	
CC(C)n1ncc(C(=O)NNc2ccc(Br)c(F)c2)c1-c1ccccc1	754310731	IUDRLTSTTCNFAI-UHFFFAOYSA-N	417.282	4.790	50	20	HJGD	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNc1ccc(C(F)(F)F)nn1	755182665	ABPILXPMDJFTQQ-UXBLZVDNSA-N	408.380	4.520	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1nc(-c2ccccc2)n2c1CCCCC2	755855852	GJAPWJDAQVSQBX-UHFFFAOYSA-N	421.448	4.509	50	20	HJGD	
O=C(NNC(=O)c1sc2ccccc2c1Cl)Nc1cccc(N2CCCC2)c1	756238121	PSTPFTOCWMVYOJ-UHFFFAOYSA-N	414.918	4.621	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c1	759319450	OUHXEGIZSRJZQT-UHFFFAOYSA-N	416.456	4.503	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c(O)c1	762976418	WNUVHHKSORJUQD-UHFFFAOYSA-N	411.352	4.825	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1nn(-c2ccccc2)c2c1CCC2	767402508	OTSZIYBAZLBDCF-UHFFFAOYSA-N	405.260	4.564	50	20	HJGD	
N#Cc1cccc(NNC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1	768474663	WZTIZERHZVKGNI-KRWDZBQOSA-N	407.474	4.525	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1cccc(Oc2ccncc2)c1	771141921	OERZQGMYTTYCRS-UHFFFAOYSA-N	417.238	4.924	50	20	HJGD	
COc1cc(/C(C#N)=C/c2c(C)nn(Cc3ccc(C)cc3)c2C)ccc1[N+](=O)[O-]	774560522	LHHKJPPHJTXSFQ-RGVLZGJSSA-N	402.454	4.838	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC(OCC2CC2)CC1	777982483	CGVDHPSCULKBIJ-UHFFFAOYSA-N	421.453	4.924	50	20	HJGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	779757658	CQUITOOOUGBSPC-OAHLLOKOSA-N	421.588	4.727	50	20	HJGD	
CC(C)CO[C@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782985291	NHUCUGBMLJPOJT-LBPRGKRZSA-N	409.442	4.780	50	20	HJGD	
O=C(C=C1CCSCC1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783463864	XADVTTIIEMXRBY-UHFFFAOYSA-N	423.450	4.602	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]	784860726	IGMOFPCCNUGYAZ-UHFFFAOYSA-N	415.808	4.723	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)ccc1Cl	788642703	AOHZQFJTNUVYSF-UHFFFAOYSA-N	419.268	4.710	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C\c3cnn(Cc4ccccc4)c3Cl)nc(O)c2c1C	789131179	WDCYHXAPJPMNHL-NVNXTCNLSA-N	421.913	4.976	50	20	HJGD	
Cc1nn(C(C)C)cc1C=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	799107377	CQKZLMKNTIKFEX-UHFFFAOYSA-N	401.923	4.500	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)CCc2ccc(C(F)(F)F)cc2)o1	800811346	QTNQCCOFZXYMGB-UHFFFAOYSA-N	409.452	4.879	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	817007406	APSJRIVXKZDRQH-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cccc(Cl)n2)c(C)c1	817010234	SMBTWIHLUYRFJD-UHFFFAOYSA-N	417.900	4.961	50	20	HJGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016167	IZILEBHRXGNXSN-MRVPVSSYSA-N	409.330	4.966	50	20	HJGD	
CC(=O)N(c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1)C1CC1	819021516	ZYUPGQOENBZQOM-FYJGNVAPSA-N	418.541	4.822	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c2ccccc2n1	917534832	YHSROEBMPYHDJI-UHFFFAOYSA-N	417.900	4.763	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c(C)n1CCC(C)C	918565968	LBUZAUWTNBOPLR-IOOSODASSA-N	418.585	4.701	50	20	HJGD	
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ccccc2C)c1	919149374	YFDJHYZYRUCQHW-UHFFFAOYSA-N	412.493	4.672	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)nc(C)n1	1116098149	IJVHXSCMZXIZAG-UHFFFAOYSA-N	403.873	4.719	50	20	HJGD	
Cc1cc(C(=O)NNC(=S)Nc2ccccc2C(C)C)c(C)n1Cc1ccco1	1322390873	CNHUPWMLMYONLZ-UHFFFAOYSA-N	410.543	4.501	50	20	HJGD	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)[C@H](C)Br)cc2)CCC1	1791437873	PZKDKAMTAWVBER-HNNXBMFYSA-N	407.352	4.650	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)cc2C)[nH]n1	1815320971	LIVTYCFFMCVTKN-HKUYNNGSSA-N	416.953	4.740	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1	1824614387	MPVKKXHNJPNIAL-JNTVOPSESA-N	423.022	4.789	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1	1824855718	NRSLAVQXGYXECG-PCCBWWKXSA-N	422.972	4.724	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1	1826527413	RTYFRFJTYGHZLT-RJRNSMGGSA-N	416.993	4.585	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1	1830750258	NQIKFTURSAEULE-FGZHOGPDSA-N	416.993	4.815	50	20	HJGD	
N#C/C(=C\c1ccc(OC[C@H]2CCCO2)cc1)C(=O)Nc1ccc(F)c(Cl)c1	14176523	DPQAIFISHOOZOP-SPQRHKFCSA-N	400.837	4.583	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)CCc3ccc(C)cc3C)cc2)cc1	23418179	QJQVNRQUZROHGM-UHFFFAOYSA-N	422.550	4.521	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2CC)c1C	24001575	SRRWQXZLXGBRFM-SXZORUHJSA-N	407.514	4.555	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)S(=O)(=O)c3ccc(C)cc3)o2)cc1	33467170	TVZGZFNSNALAEN-STZFKDTASA-N	421.474	4.770	50	20	HJGD	
Cc1cccc(NNC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1	195687284	LPGCKGBGNMTMEN-UHFFFAOYSA-N	408.346	4.628	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNc3cccc(Cl)c3)cc12	301237937	FDGJIGCYLCYFCS-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	303512961	CSARQWQBLBMQSC-UHFFFAOYSA-N	421.328	4.553	50	20	HJGD	
Cn1c(Cl)nc(Cl)c1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	726876179	JPTNZDDMPIQRRZ-VURMDHGXSA-N	403.241	4.587	50	20	HJGD	
CCCCC[C@@H](NC(=O)NNC(=O)c1cccc(OC(F)F)c1)c1ccccc1	728598375	ALFJSCMUNGOCTA-GOSISDBHSA-N	405.445	4.554	50	20	HJGD	
CCc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cnn(CCCl)c3)s2)cc1	728698510	KNFQCQAUULIBJD-DHDCSXOGSA-N	422.341	4.525	50	20	HJGD	
CCn1cnnc1-c1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	729652233	PKTASOUYMWNGOY-UDWIEESQSA-N	416.529	4.585	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1)c1ccccc1	732245080	OUKLDWRMTQTFKZ-SFHVURJKSA-N	421.463	4.507	50	20	HJGD	
Cc1ccccc1[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)C1CC1	732744615	DUSHMVVAPROUBP-UFEINAGHSA-N	417.553	4.767	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1oc(C(C)C)nc1C#N)c(C)n2C1CCCC1	741680986	PIHQIMXRHRGNFX-UHFFFAOYSA-N	421.501	4.813	50	20	HJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3	741851884	HHOFKJYZBHJWGH-LCYFTJDESA-N	413.449	4.984	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)cc1	742893913	XAMLSAINEOIPFZ-CPNJWEJPSA-N	406.482	4.515	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCc2ccccc2OC2CCCC2)c(Cl)c1	743541385	NXPDWOAVOFGYAP-UHFFFAOYSA-N	416.909	4.506	50	20	HJGD	
O=C(NNC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1	743806289	MMFZKZRYHMDUDQ-UHFFFAOYSA-N	418.078	4.614	50	20	HJGD	
CC(C)c1cc(CNC(=O)NNc2c(Cl)cc(Br)cc2Cl)on1	745819464	CFGDQHUMLXYDHC-UHFFFAOYSA-N	422.110	4.694	50	20	HJGD	
O=C(NCc1coc(-c2ccccc2)n1)NNc1nc(Cl)c(Cl)cc1Cl	745847833	UBFVAHPSMQDXCS-UHFFFAOYSA-N	412.664	4.523	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)cc1	748117485	HGBGVJYYBPVLBJ-UHFFFAOYSA-N	416.506	4.508	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNc1cccc2c1CCCC2	748584990	GBEYAEFYLPAZQZ-UHFFFAOYSA-N	408.933	4.837	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(C#N)c(Cl)c1)c1cccc(C(=O)c2ccccc2)c1	753315813	KISBBJODMAKHOY-HNNXBMFYSA-N	403.869	4.689	50	20	HJGD	
C[C@H]1C[C@H]1c1cc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	756221367	HIXBWMNYRRJRNS-GZMMTYOYSA-N	410.368	4.768	50	20	HJGD	
COc1cc(C(C)=O)ccc1OCCCC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757421193	GFSXJBUVYNXTDS-UHFFFAOYSA-N	423.421	4.724	50	20	HJGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cc(Cl)ccc1SC1CCCC1	758324266	LGLZJXGKODJYNI-UHFFFAOYSA-N	414.918	4.780	50	20	HJGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(Cl)ccc2SC2CCCC2)n1	758354267	OGSKCYUXGGXIGE-UHFFFAOYSA-N	419.982	4.768	50	20	HJGD	
CC(C)(C)OC1CC(CCNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)C1	763477080	SUILFOSDQZHVFH-UHFFFAOYSA-N	424.545	4.673	50	20	HJGD	
Cc1c(NC(=O)[C@@H](Br)C(C)(C)C)cccc1-c1nnc2n1CCCCC2	767034014	HCSVAMWTDZGMKO-QGZVFWFLSA-N	419.367	4.728	50	20	HJGD	
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	769745148	ZMCKKJCSYYRWKM-INIZCTEOSA-N	415.704	4.511	50	20	HJGD	
Cc1ccc(-c2noc([C@H](C)OC(=O)[C@@]34CC[C@@H](C[C@H]3Br)C4)n2)cc1F	769977394	CTWNZHJDRHGBQU-GXAAJVFHSA-N	423.282	4.742	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1cccc(Oc2ccccn2)c1	771160223	SLTOAXITXGFSSQ-UHFFFAOYSA-N	417.238	4.924	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(Br)n1	771453982	QDIQMYJTHSFCFG-RQZCQDPDSA-N	415.335	4.773	50	20	HJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ccc(Br)c(F)c1	771682258	LQJHJXKOJIKUTL-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)C(=O)c1ccccc1OC(F)F	775639834	WQOOJGDXPNOUCB-SXGWCWSVSA-N	413.811	4.976	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cccc(Br)c1Cl	780657498	STTZOJJTWJANNX-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccnc2-c2csc(C)c2)c1C	782922906	FYUNVXWJHWMNNB-UNOMPAQXSA-N	420.538	4.729	50	20	HJGD	
Cc1cc(NNC(=O)c2c(F)ccc(Br)c2F)ccc1Br	787462398	XDDDABDMOPEZFZ-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
COc1cc(NNC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)ccc1Cl	790167638	CSECGOUIAPCMRW-UHFFFAOYSA-N	416.811	4.615	50	20	HJGD	
O=C(CCSc1ccnc2cc(Cl)ccc12)NNc1cccc(F)c1[N+](=O)[O-]	790588388	WENZOWVZFRFGLE-UHFFFAOYSA-N	420.853	4.561	50	20	HJGD	
CSSCCNC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1	791153237	SLXHRRVROTWIPP-UHFFFAOYSA-N	405.932	4.798	50	20	HJGD	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NNc1cc(Cl)cc(Cl)c1	791716630	MSPDPVVTTLYDSX-UHFFFAOYSA-N	412.276	4.605	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	798142019	FQIJHBRFURCAAO-UHFFFAOYSA-N	407.861	4.674	50	20	HJGD	
COc1ccccc1Nc1ccccc1C(=O)NNc1nc(C(F)(F)F)cs1	800692458	HTTPWPUIHJCNNG-UHFFFAOYSA-N	408.405	4.671	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(Br)c(OC(F)(F)F)c1	801176189	QVCCKBXOCBVXQC-UHFFFAOYSA-N	407.161	4.552	50	20	HJGD	
O=C(NC[C@H]1CCCSC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	807519319	DJYVJZNSAKUUQK-SNVBAGLBSA-N	404.426	4.542	50	20	HJGD	
N#C/C(=C/c1cc2ccccc2nc1N1CCOCC1)c1cc(C(F)(F)F)ccn1	812246540	NWUWQUMQYBEAOH-ATVHPVEESA-N	410.399	4.549	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)cc1	817885940	QCPLLZZNJCUETI-UHFFFAOYSA-N	406.442	4.762	50	20	HJGD	
O=C(Nc1cccc(C=NNC(=O)C2CCCC2)c1)c1ccc(Cl)cc1Cl	914836469	NLRCJOAYLSCKRW-UHFFFAOYSA-N	404.297	4.886	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OC	915850655	LIMJTWNBRDHGDL-UVTDQMKNSA-N	407.495	4.747	50	20	HJGD	
CCCCn1nc(C)c(C=NNC(=O)COc2ccccc2-c2ccccc2)c1Cl	916295530	WBODLAFBNCFMOQ-UHFFFAOYSA-N	424.932	4.841	50	20	HJGD	
CCCCN(C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CC1	918440442	NESHTWYAJQIMSO-MRXNPFEDSA-N	408.873	4.636	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c(F)cncc3F)cc2)CCC1	1789863817	HYCDRLDNODXSTR-HNNXBMFYSA-N	421.875	4.515	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1	1791944356	VYCWPAPZEAIRJM-LJQANCHMSA-N	402.922	4.672	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N(C(C)C)C(C)C)c(C)n1C1CCCCC1	6389046	UJLNUGJURANMTM-FYJGNVAPSA-N	413.562	4.706	50	20	HJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC	72067731	DFQZYSZRANCSGC-ACAGNQJTSA-N	421.280	4.955	50	20	HJGD	
O=C(NNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)NC1CCCCC1	195539363	DENXVDBHEWDVDO-UHFFFAOYSA-N	419.856	4.850	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CC#N)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	725712633	DEWHNDLTWCJPPY-OQLLNIDSSA-N	420.822	4.655	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)C(C)(C)c2ccccc2)c(C)n1C[C@@H]1CCCO1	728003315	SGJARYJEVIGXOF-KCIWELSNSA-N	419.569	4.673	50	20	HJGD	
Cc1ccc([C@@H](NC(=O)NNc2cncc(Cl)n2)c2ccc(F)cc2Cl)cc1	731119498	TUOUYPYVHLSHMZ-GOSISDBHSA-N	420.275	4.647	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1ccc(-c2ccc(F)cc2)cc1F	732834076	DGNRHCVADXODPV-UHFFFAOYSA-N	404.214	4.546	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc3ccccc3s2)c1C	734111983	OMKPUICDMRKGOR-PZRWJEIXSA-N	422.554	4.706	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc1	734304497	LQGQSAFXKULKDP-CIAFOILYSA-N	418.928	4.733	50	20	HJGD	
COc1ccc([C@@H](NC(=O)NNc2c(F)cccc2F)c2ccc(F)cc2)cc1	735757283	LMXAFDKKTUVRRP-IBGZPJMESA-N	401.388	4.528	50	20	HJGD	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NNc2ccnc3cc(Cl)ccc23)c1	743297538	OINWBSARVAXQEL-UHFFFAOYSA-N	414.868	4.769	50	20	HJGD	
C[C@H](Oc1cccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1)C(=O)O	746684278	MSHKAPZUJMWXKQ-WXARJGPPSA-N	401.447	4.598	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cn1)c1ccccc1	747605024	NMVSGJCMCNRLRL-AWEZNQCLSA-N	401.388	4.997	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ccc(OC(F)F)cc3)o2)c(C)c1	748644911	ZDWUKYMWAZEVRY-UHFFFAOYSA-N	402.397	4.834	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	750043976	PZYIVJGUMWUCQB-UUYOSTAYSA-N	405.433	4.553	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCN(C[C@@H]2CCCO2)CC1	752977772	QMAFUGYATHVGQA-AWEZNQCLSA-N	415.428	4.673	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)NC1CCN(C(=O)C2CC2)CC1	752986567	LNLJLUPVRYJKDH-UHFFFAOYSA-N	413.412	4.867	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H](Sc1ccc(F)cc1)c1ccccc1	755197848	VIZSPYGHHURJKZ-KRWDZBQOSA-N	422.407	4.611	50	20	HJGD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cc1	757433215	BEGHOCDPERRESZ-UHFFFAOYSA-N	406.438	4.582	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	758426450	LTMYDNZQNPZEMZ-UHFFFAOYSA-N	411.487	4.510	50	20	HJGD	
Cc1cccc([C@@H](NC(=O)NNc2ccccc2C(F)(F)F)c2ccccn2)c1	766263550	HCWXVYZMSVXHSB-LJQANCHMSA-N	400.404	4.825	50	20	HJGD	
Cn1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(-c2ccccc2Cl)n1	768009583	OXVOLWJALNGSCK-UHFFFAOYSA-N	413.667	4.943	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc2c(C(F)(F)F)cc(O)nc2o1	768010290	ZLQZHNGLPXDXEG-UHFFFAOYSA-N	424.137	4.755	50	20	HJGD	
CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NNc3ccc(C(C)(C)C)cc3)cc2C1	769619569	LTJKAQHZIATLSC-UHFFFAOYSA-N	409.530	4.992	50	20	HJGD	
CSc1cccc(C)c1NC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	771286719	NMUSORSLZCSRGQ-UHFFFAOYSA-N	412.540	4.615	50	20	HJGD	
COCc1cccc(CC(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	777695396	MFFLBGQEGRVIDX-UHFFFAOYSA-N	418.118	4.588	50	20	HJGD	
O=S(=O)(NCCNc1ccccc1)c1cccc(S(F)(F)(F)(F)F)c1	777993598	PIZUDIWREYSJCN-UHFFFAOYSA-N	402.410	4.734	50	20	HJGD	
CCOc1ccc(-c2noc(CCC(=O)NNc3ccc(C(C)(C)C)cc3)n2)cc1	780809707	YHTHSZQRSALDMH-UHFFFAOYSA-N	408.502	4.509	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(O[C@H]2CCOC2)cc1	788723513	ADYSPLUVSVQFJJ-ZDUSSCGKSA-N	401.677	4.571	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(Br)c(Cl)s2)cc1	790209707	UCTVAUWQGBYOCJ-SDQBBNPISA-N	402.722	4.811	50	20	HJGD	
C=C(CBr)CN1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1	791483128	NVMAQJOELPKMMW-UHFFFAOYSA-N	405.302	4.553	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc2c(c1)oc1ccccc12	792438336	QFYHZIPPZUTTNX-UHFFFAOYSA-N	414.248	4.975	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)c(Br)c1	794879527	NCMSYNPGAMGAPH-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1cccc(C(F)(F)F)n1	795116124	FZUYGNUCWSFACL-UHFFFAOYSA-N	410.783	4.728	50	20	HJGD	
Cc1cn2c(/C=C(/C#N)C(=O)Nc3ccc(SC(F)F)cc3)c(C)nc2s1	797008344	WNRQUGXTWKVTKT-GHXNOFRVSA-N	404.467	4.873	50	20	HJGD	
Cc1sc(Br)c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c1C	799705368	IFWWMUDUERIKAL-UHFFFAOYSA-N	418.238	4.775	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccc(Oc2ccccc2)cn1	799706253	YSMRDZWCICMZGP-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
COC(=O)c1cc(NNC(=O)c2ccccc2SCc2cccs2)ccc1C	816686792	DRRUUWZVELNHJI-UHFFFAOYSA-N	412.536	4.892	50	20	HJGD	
COC(=O)Nc1cccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	817015000	HIXHKXODUXTQCH-UHFFFAOYSA-N	421.297	4.659	50	20	HJGD	
COc1ccc(CCNC(=O)CCCC[C@@H]2CCSS2)c(Cl)c1OC	817946148	GMOXZSQTRZXORL-CQSZACIVSA-N	403.997	4.730	50	20	HJGD	
CC(C)n1ncc2cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Cl)nc21	873871953	VBCIICLVAGIIJN-QPEQYQDCSA-N	400.269	4.865	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(C(C)C)cc2)c(C)n1C[C@@H]1CCCO1	912673638	FBCJIKDUKFDVGL-BZNKKWMXSA-N	419.569	4.973	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1C	914510681	UFXVIZQPBXXFAA-AOOMUMSASA-N	418.541	4.780	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(C)n1C[C@@H]1CCCO1	915177166	TVWLUJQIDXBOIR-KSIBYPPRSA-N	409.574	4.618	50	20	HJGD	
CC(=O)Nc1cccc([C@H](C)NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	916380133	DLPLLAGGDDQOCQ-VIFPVBQESA-N	415.708	4.993	50	20	HJGD	
N#C/C(=C\C1=Cc2cc(Br)ccc2OC1)c1nc(-c2ccccc2)no1	920064323	RKKJTQOQGYRCJF-CXUHLZMHSA-N	406.239	4.882	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccncc2)c(C)n1-c1ccc(Cl)cc1	920441812	DTHMWFCGAJEUMI-MOSHPQCFSA-N	404.901	4.708	50	20	HJGD	
CN1CCN(c2ccc(/C=C(\C#N)C(=O)c3cc(Cl)cc(Cl)c3)cc2F)CC1	1320256100	BYWOLAVIYZIHRY-LZYBPNLTSA-N	418.299	4.674	50	20	HJGD	
CC/C=C(\C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)CBr)cc2)CCC1	1786071987	BLTPOUXSMKTOED-HVJNQHDOSA-N	407.352	4.508	50	20	HJGD	
CC(C)Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)cc1	1827615592	QVMFRHMACYSCNU-NHCUHLMSSA-N	422.972	4.653	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccncc2)c1	7911044	TZTMVYCUQRXHAM-XSFVSMFZSA-N	406.445	4.733	50	20	HJGD	
N#C/C(=C/c1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1)C(=O)Nc1ccccc1	33721254	ZVLJIVGLMKHGQG-BMJUYKDLSA-N	418.456	4.778	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC3(CCCCC3)CC2)c(C)n1C[C@H]1CCCO1	726514753	NMQFKQAECRSJMY-PLJYQOKSSA-N	409.574	4.764	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@H](c1ccccc1)c1ccc(F)cc1	726706417	KRFAZFDQZJXJPP-LJQANCHMSA-N	401.388	4.843	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1	726797368	HJHOFEZLAPAGIL-GOSISDBHSA-N	407.436	4.745	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)c1c(Cl)cccc1Cl	727266749	DZIXSDZSXJELJA-UVTDQMKNSA-N	405.256	4.759	50	20	HJGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	729623459	JRBGPFOOGKKLJN-IFXJQAMLSA-N	417.962	4.765	50	20	HJGD	
Cc1ccccc1Oc1ccccc1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	730223292	AKUJVGZTMHDZIG-CIAFOILYSA-N	410.477	4.529	50	20	HJGD	
CCOc1cc(C=NNC(=O)[C@H](CC)c2ccccc2)cc(Br)c1OC	731930699	IJGJDPKPWHERSK-MRXNPFEDSA-N	419.319	4.500	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)c1cc(-c2ccccc2)ccc1Cl	732080191	GUZGQYGZUDKOKL-UHFFFAOYSA-N	401.853	4.630	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1	732716773	YTLGIBJYVRRWBW-HKWRFOASSA-N	405.461	4.504	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C)c1ccc(Cl)s1	733935725	BOUWBQKLYUVVMK-ABPVARSCSA-N	405.951	4.641	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)nc(C)n1	743461583	JRAXKVCQYJWNEI-UHFFFAOYSA-N	403.269	4.949	50	20	HJGD	
CC1(C)CCC(NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	743926250	YZVZNNJKESOUDU-MRXNPFEDSA-N	422.900	4.929	50	20	HJGD	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=O)CC2CCCC2)cs1	749450000	RGHMZFYNBCZBER-UHFFFAOYSA-N	404.923	4.512	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)c(OC)c2)cc1	750894873	BXVPMNQFFULNGR-YBEGLDIGSA-N	404.388	4.744	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2ccccc2C(=O)N(C)C)c(C)n1C1CCCCC1	751317050	SWEBLBCIPHSZOK-HKWRFOASSA-N	419.525	4.825	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](C)c2nccs2)c(C)n1-c1ccc(F)cc1	754724515	VCPGRMIFNIAGBA-JVVDOCDTSA-N	408.502	4.517	50	20	HJGD	
Cc1sc([C@@H](C)NC(=O)NNc2ccc(F)cn2)nc1-c1ccc(Cl)cc1	755319687	IYZYZAYMUJDKBL-SNVBAGLBSA-N	405.886	4.693	50	20	HJGD	
O=C(NNc1nc(O)c2ccccc2n1)c1ccccc1-c1ccc(C(F)(F)F)cc1	758296101	RCUFZKLMMGUNIS-UHFFFAOYSA-N	424.382	4.778	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c1C	760833249	LJDCAUPHYOUOET-AQRZYSDFSA-N	417.513	4.739	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCN(C[C@H]2CCCO2)CC1	762976093	QXODCDRBQGITFP-CQSZACIVSA-N	415.428	4.673	50	20	HJGD	
Cc1ccc(Cc2nc(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)cs2)cc1	768416669	LMIWVRNAJWSOCA-UHFFFAOYSA-N	416.428	4.690	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc(Cl)cc(Br)c1F	769985752	YZZGQCYIQHRQDW-UHFFFAOYSA-N	400.660	4.608	50	20	HJGD	
C[C@H](c1ccccc1)n1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)n1	770065258	DDYWJXAAIYBATI-CYBMUJFWSA-N	405.380	4.540	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1	770821791	JUFPRUACOGWOKN-UHFFFAOYSA-N	415.827	4.675	50	20	HJGD	
Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)NNc1c(F)cccc1F	773707013	CUDYVGYKZKKSIV-UHFFFAOYSA-N	413.449	4.506	50	20	HJGD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NNc1c(F)cccc1F	773709845	UCFUQKXZCUCQGX-UHFFFAOYSA-N	419.497	4.780	50	20	HJGD	
C[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1cccc(OC(F)F)c1	774932779	ODOIIQXPMWTXGC-SFHVURJKSA-N	415.420	4.953	50	20	HJGD	
Cc1cc(Br)cc2cc(C(=O)NNc3ccc(C(F)(F)F)cn3)oc12	775251422	QVNDTBPSAPVVBB-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
C[C@@H](Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CCS(=O)(=O)CC1	779049874	SWNRFRUTVFIPPJ-QMTHXVAHSA-N	401.903	4.531	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccccc3OC(F)(F)F)o2)cc1	779210833	NHSKVMKMWLPYPW-UHFFFAOYSA-N	404.344	4.805	50	20	HJGD	
Cn1cc(-c2nn(C)cc2C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	781025693	NXSLQGUQIVZGMT-UHFFFAOYSA-N	407.368	4.730	50	20	HJGD	
C[C@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c2cccnc2O1	782934446	ROSKNYLLAHEHBJ-JTQLQIEISA-N	416.393	4.715	50	20	HJGD	
O=C(CN1CCc2ccccc2C1=O)Nc1cccc(S(F)(F)(F)(F)F)c1	788770263	YGVCSDBLBYWEPG-UHFFFAOYSA-N	406.376	4.981	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1cccc(COC2CCCCC2)c1	790493919	DASYHRDLKQUODP-UHFFFAOYSA-N	402.426	4.732	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1C(C)C	790803843	NEZZOVUAVKTZRY-UHFFFAOYSA-N	413.865	4.623	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccc(NC(=O)c2ccco2)cc1	792223930	LWHHZKIIUZMSHJ-UHFFFAOYSA-N	405.241	4.987	50	20	HJGD	
O=C(NN=C1CCC[C@H]1c1ccccn1)c1cc(-c2ccncc2)nc2ccccc12	794858322	FMQGUPGMCDTXSA-IBGZPJMESA-N	407.477	4.745	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Cl)c(OC)c3)s2)c(F)c1	800558915	KNNDLVHGJBPFEM-UHFFFAOYSA-N	421.881	4.685	50	20	HJGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NNC(=O)Nc1ccc(Cl)cc1	802015983	GDBVUYHNHIPQIK-UHFFFAOYSA-N	420.705	4.524	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1ccc(-c2cccc3cccnc23)cc1	806847477	PTUMOIQNNWCMDN-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
O=C(CCc1cc(C(F)(F)F)ccc1Br)NNc1cccc(Cl)n1	817005879	MSKXUVQNQWBGDT-UHFFFAOYSA-N	422.632	4.592	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cccc(NC(C)=O)c2)c1C	914454142	RMHPLWIUIRZKRP-VYZAVGSRSA-N	406.530	4.648	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)N[C@@H]3CCCC[C@H]3C)c2)cc1	915843684	QABSSNFPFJZNHG-VLROSQBNSA-N	417.509	4.549	50	20	HJGD	
CCN(CC)CCC(=O)NN=Cc1c(Cl)cccc1OCc1ccccc1Cl	917540127	YOFMFDCXTLJKPP-UHFFFAOYSA-N	422.356	4.754	50	20	HJGD	
O=C(NNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccc(Cl)cc1Cl	917927987	XMDAQAQDGDRYLJ-UHFFFAOYSA-N	417.079	4.856	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cn(C)nc2-c2cc3ccccc3o2)n1	920387502	MGAIKULCBYCNEE-RIYZIHGNSA-N	404.451	4.531	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(CN(CC)CC)cs2)c1C	1119545745	HXDBUCBMNZIMHV-XDHOZWIPSA-N	413.591	4.749	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2ccc(-c3cccs3)s2)cc1	1332498308	YCSQGOHOQYBYIZ-UHFFFAOYSA-N	417.581	4.895	50	20	HJGD	
CC[C@H](C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccccc1	1788582480	HEDAMAANYGBYBU-OALUTQOASA-N	402.897	4.849	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cccc2cccnc12	1788910655	GVDHDNLJIDATFK-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3C)CCC2)cc1	1790490203	XPQJLTJQGDBZJI-FQEVSTJZSA-N	414.933	4.769	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccsc2)n[nH]1	1817518890	OWLUSORGSJQXTF-NVXWUHKLSA-N	422.982	4.504	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)c(C)c2)n[nH]1	1820535860	UOVRAJSOXJKWEU-HKUYNNGSSA-N	416.953	4.740	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)[nH]n1	1820859642	FHUVGIZWYCLLJP-NVXWUHKLSA-N	423.344	4.695	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C)c2Cl)[nH]n1	1820859671	FXNZOTALNKYYQS-GDBMZVCRSA-N	423.344	4.695	50	20	HJGD	
Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c(C)c1	1824013260	UFLWBEFXXXSYRG-NRFANRHFSA-N	419.009	4.802	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)CC1	1830005430	BIUFNLSVIFEXBL-LEWJYISDSA-N	404.982	4.554	50	20	HJGD	
N#C/C(=C\c1ccc(OC[C@H]2CCCO2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	14175722	ULZMCUDIYQCRQV-MBNYPGIVSA-N	416.399	4.809	50	20	HJGD	
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1cccc(Cl)c1	301241474	QDOWDCVPGBEKTD-UHFFFAOYSA-N	418.884	4.958	50	20	HJGD	
Cc1ccc(NNC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)nn1	730065116	VVDAKNJILVHQDQ-UHFFFAOYSA-N	402.285	4.508	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2occc2C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1	730952536	YQOGUKPAYXFULW-RVDMUPIBSA-N	422.824	4.756	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)C(C)(C)c1ccccc1	731150957	PMVPZOHHVRVVPK-UHFFFAOYSA-N	415.324	4.915	50	20	HJGD	
COC(=O)c1cc(OC(=O)CC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-]	732653753	FNCKHWSSXQQQJY-UHFFFAOYSA-N	405.406	4.509	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H]2CCCc3nc(C)sc32)c1C	733069470	OXDKYCLMLPQFHH-WMPJAZNBSA-N	413.543	4.605	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Br)c(C)c2)cnn1-c1ccc(C)cc1	734254794	HOCPPYKDFKGGAF-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(Cl)nn3)c3ccccc3n2)c(C)c1	735689288	WUCXCPSERHNHDW-UHFFFAOYSA-N	403.873	4.719	50	20	HJGD	
Cc1cc(C)c(NNC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c(C)c1	743761988	GREALHYMLAWNLR-UHFFFAOYSA-N	414.575	4.881	50	20	HJGD	
O=C(CCOc1ccccc1)NN=Cc1cn(Cc2ccccc2)nc1-c1ccccc1	747059486	RFXVXAGMHJEDMD-UHFFFAOYSA-N	424.504	4.518	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccc(-n2ccc(C(F)(F)F)n2)c1	748010076	WFZKFAVOCTWWQB-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	748304326	WPVYAEPMQBZEQR-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1	748673116	XBIKJPPGYFBLIB-MAUKXSAKSA-N	401.576	4.608	50	20	HJGD	
Cc1ccccc1-n1nc(C)c2cc(C(=O)NNc3cccc([N+](=O)[O-])c3C)sc21	748674050	XCGDNKQWMYCNMX-UHFFFAOYSA-N	421.482	4.677	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNc3ccc(Br)cc3C)c2)cs1	748740608	KCUMRFPXKSQZIG-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
CC[C@@H](C)NC(=S)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	749759508	XUOVVUPAMAUVIP-CYBMUJFWSA-N	407.992	4.540	50	20	HJGD	
COc1ccccc1/C=C(\C(=O)NNc1ccc(C#N)c(Cl)c1)c1ccccc1	753301725	AOKAMJCIRQRMKX-MOSHPQCFSA-N	403.869	4.904	50	20	HJGD	
O=C(NC[C@@H]1Cc2ccccc21)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762640625	QEWMQKANXKTKDB-LBPRGKRZSA-N	406.376	4.739	50	20	HJGD	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762968651	MOZQAPQWCMJTTQ-NXEZZACHSA-N	410.430	4.629	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	764271074	HWPOMLIAFILTQZ-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1	764828960	JIKCRURJRXXYBE-SFHVURJKSA-N	418.497	4.671	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1Cl)c1nc(O)c2cc(Br)ccc2n1	767716895	HAHUZFIAXPJPSA-YHYXMXQVSA-N	404.626	4.955	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cnn2c(-c3ccccc3)ccnc12	768011930	RPYYBUXAJCMQDJ-UHFFFAOYSA-N	416.243	4.599	50	20	HJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3cc(C#N)cc(Cl)n3)c2c1	768712967	GMACRRIQIKEIHL-UHFFFAOYSA-N	413.868	4.887	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2coc(-c3ccccc3)n2)c1C	768747363	KYIZMSIOCRQTRJ-LASGFXPTSA-N	419.481	4.618	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(Oc2ccc(Cl)nn2)cc1	770029492	AEOJNJMILALLRZ-UHFFFAOYSA-N	412.862	4.681	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1nc(SCc2ccccc2)ns1	770070469	NPJAMFRXZVFYPL-UHFFFAOYSA-N	414.541	4.589	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl	772875811	PTPDMEORIZCHDB-UHFFFAOYSA-N	418.284	4.851	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc2cc(Br)ccc2o1	775270603	KTSXZTLOVCINPO-UHFFFAOYSA-N	401.047	4.654	50	20	HJGD	
Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)NNc2ccc(C#N)cc2)n1	775495861	DKCUZBHARZIBMG-UHFFFAOYSA-N	414.391	4.528	50	20	HJGD	
N#CCc1ccc(OCc2ccccc2NC(=O)NNc2c(F)cccc2F)cc1	775539513	FUDGWFXMAKXYOF-UHFFFAOYSA-N	408.408	4.758	50	20	HJGD	
C#CCOc1cccc(Cl)c1/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F	777885212	XKBLBKKPDZMNEN-ACCUITESSA-N	404.775	4.916	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1oc2ccccc2c1COc1ccccc1Cl	781358372	PCQGONFVBJIWQD-UHFFFAOYSA-N	411.820	4.956	50	20	HJGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)CCO1	781970536	PGUVWTIRPIHLIA-JQWIXIFHSA-N	409.246	4.506	50	20	HJGD	
C[C@]1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCCC[C@H]1O	782985730	UEPFHGVDQXSKFM-ZIAGYGMSSA-N	409.442	4.564	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(Cc3ccco3)c2C)cc1	787150897	HWHWWPLTHIYLHZ-WBRURWICSA-N	403.482	4.539	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ncccn2)c(C)n1-c1cc(Cl)ccc1Cl	787290846	NSGPPCKLBGRKIP-DHDCSXOGSA-N	412.280	4.737	50	20	HJGD	
CCc1cccc(Cl)c1C=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	788702103	DENQQVTWDAVIKI-UHFFFAOYSA-N	406.100	4.604	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1csc(-c2cccc(Br)c2)n1	792636339	VRLIWXQQVTVAJQ-OQLLNIDSSA-N	411.346	4.652	50	20	HJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	794870361	VECSVZXINXQBNV-MHWRWJLKSA-N	422.268	4.657	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802016239	RPSNTUGMSJHCMQ-UHFFFAOYSA-N	422.844	4.517	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(F)c(C(F)(F)F)cc2F)ccc1Br	804469232	YJLRAWHZDAYGEN-UHFFFAOYSA-N	409.152	4.811	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	805386764	KMLLCEJRWGXBNO-UHFFFAOYSA-N	422.828	4.978	50	20	HJGD	
O=C(CCCC(=O)c1ccc(Br)cc1)NNc1nccc2sccc12	806861092	IEJBEYCIVBNKNZ-UHFFFAOYSA-N	418.316	4.555	50	20	HJGD	
Cc1ccc2sc(C(=O)NNC(=S)Nc3cccc(Br)c3)cc2c1	810543853	PTMULSRHQAREDL-UHFFFAOYSA-N	420.357	4.604	50	20	HJGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(OCc2c(F)cccc2Cl)c(OCC)c1	915845037	PVJBSZBZIBJFFC-WJDWOHSUSA-N	414.864	4.666	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2F)c1C	915984181	QGZPQZTXDOIZLG-LFIBNONCSA-N	422.435	4.712	50	20	HJGD	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	916128770	BIDAUOLFVFEZBX-JYRVWZFOSA-N	410.842	4.917	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(-c2nc3ccccc3s2)o1	916337533	AWLJYLUSZSFVLD-UHFFFAOYSA-N	400.463	4.730	50	20	HJGD	
CC(=NNC(=O)COc1ccccc1-c1ccccc1)c1nc2ccccc2s1	917569186	SPUROWMQYHEXEP-UHFFFAOYSA-N	401.491	4.883	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2F)c1C	917618592	CHXUQSAJVPGIAU-BOPFTXTBSA-N	407.420	4.927	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Sc3nncs3)cc2)cc1	918639329	DJTQIFZWAJDXSW-PTNGSMBKSA-N	408.508	4.634	50	20	HJGD	
CCCOc1ccc(Br)cc1/C=C(/C#N)c1nc(C(=O)OCC)cs1	920387898	QMNOMPJYWKWGBW-JYRVWZFOSA-N	421.316	4.935	50	20	HJGD	
Cn1c2ccccc2c2cc(C(=O)NNc3cccc(Br)c3)sc21	932477858	BPXWDBUTVWZZNU-UHFFFAOYSA-N	400.301	4.912	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNc1ccc(Br)cc1	932523807	YXFFBZYXDDECPK-UHFFFAOYSA-N	404.333	4.915	50	20	HJGD	
Cc1ccccc1-n1nc(C)c2cc(C(=O)NNc3ccc(C(C)(C)C)nn3)sc21	1340601078	MHNSFXOOMKQEEG-UHFFFAOYSA-N	420.542	4.548	50	20	HJGD	
COc1ccsc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1	1789929434	ZYRLGSVQHYHOMR-UHFFFAOYSA-N	420.962	4.769	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2C)CC1	1824615206	CHBLCRJEARUHIB-FCHUYYIVSA-N	419.009	4.944	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](C)c2ccccc2)CC1	1830312081	FWUVZDPOFIFBOD-YUXAGFNASA-N	419.009	4.817	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2F)CC1	1830552626	RQLBKQBHCFGXHW-PZJWPPBQSA-N	422.972	4.775	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(Cl)cc1C	1847867918	YKCJONUIZOISOS-COXVUDFISA-N	417.764	4.525	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1	7896490	IAEXWUGKLMXIHO-RCCKNPSSSA-N	412.445	4.598	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)c1C	18239516	RAEXTXYGIKKIPU-VUPRMNMUSA-N	405.498	4.637	50	20	HJGD	
Cn1cc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1	63412706	UBKOOSPTQXMRSD-MHWRWJLKSA-N	414.450	4.578	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c1C	214251924	YWGXMGANGPYNMA-SXGWCWSVSA-N	401.894	4.731	50	20	HJGD	
CCc1nc(CCNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cs1	726555853	DDIJIMPFMLZQDS-CPNJWEJPSA-N	410.587	4.895	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C	726618733	MRAVBXHAHYZGQX-KRWDZBQOSA-N	408.424	4.747	50	20	HJGD	
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NNC(=O)c1c(Cl)cccc1Cl	727842246	SZXCFDVRITXNST-CQSZACIVSA-N	410.301	4.553	50	20	HJGD	
CCCC[C@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(OC)cc1	728596068	FXPUBXUAKSMLIR-KRWDZBQOSA-N	424.328	4.878	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1	730596520	PMHZADYCCGOOCI-CHWSQXEVSA-N	412.317	4.562	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12	730767862	QEXDJUHVVGLSNK-PMACEKPBSA-N	410.926	4.536	50	20	HJGD	
Cn1c(/C(C#N)=C\c2cccc(OCc3ccccc3C(=O)O)c2)nc2ccccc21	731563004	KHPDEVOWTRSECN-UYRXBGFRSA-N	409.445	4.915	50	20	HJGD	
CC(C)(C)OC(=O)NC1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1	731924883	MKKUVWFHYXPVFO-UHFFFAOYSA-N	400.306	4.547	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1ccc(Oc2ccc(F)cc2)cc1	732838761	ZACSKVTUIPDJNE-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
COC(=O)c1[nH]c(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	735010842	GOYUGSYDVKSXGW-LDADJPATSA-N	408.502	4.579	50	20	HJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cnc4ccccn34)n2)cc1C	740764419	VFTXTEMIJIKECL-YVLHZVERSA-N	413.506	4.929	50	20	HJGD	
N#C/C(=C/c1cc2c(cc1OC(F)F)OCO2)C(=O)Nc1cccc2ccccc12	741840206	KHDZRNXMBCQBTR-NVNXTCNLSA-N	408.360	4.716	50	20	HJGD	
CC(C)(C(=O)NNC(=O)C[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1	741924988	LOLWNFZJHRURGF-QFIPXVFZSA-N	400.522	4.528	50	20	HJGD	
COCc1cccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	742006201	ONMNRTVQFFMPOM-UHFFFAOYSA-N	404.091	4.659	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2cnccn2)cc1)C(=O)Nc1ccccc1C(F)(F)F	743056236	DPDONUQJHCWJKH-PTNGSMBKSA-N	410.355	4.833	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	743821940	YYWLGUINIKKOCR-DHZHZOJOSA-N	413.852	4.780	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1C	743822139	GANIGGJPHXOLMN-IAGOWNOFSA-N	408.354	4.732	50	20	HJGD	
N#CCC[C@@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1	747988028	NUHMRSQDNFVBQC-JOCHJYFZSA-N	413.481	4.734	50	20	HJGD	
Cc1ccccc1-n1nc(C)c(CN(C)C(=O)/C(C#N)=C\c2ccc(F)cc2)c1C	751443842	YLKNNMNTACVHKF-MOSHPQCFSA-N	402.473	4.502	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(COC(C)(C)C)cc2)c1C	752471879	CAFWQXUFEJTYCD-KGENOOAVSA-N	409.530	4.612	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1	753194680	JSDRVUQKHDVOAE-CQSZACIVSA-N	416.568	4.530	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3ccc(C#N)c(Cl)c3)ccc2n1-c1ccccc1	753303741	ZTKLOIIBOSNZHZ-UHFFFAOYSA-N	401.857	4.616	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1	762642499	SQQDAIKJFLVATD-HUUCEWRRSA-N	406.376	4.955	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	763613030	SYLSXNJINPHXFU-UHFFFAOYSA-N	424.162	4.600	50	20	HJGD	
CC[C@H](NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@H](O)C(F)(F)F	766327226	QQNNFBGFIBYARH-SWPVVBRQSA-N	424.794	4.729	50	20	HJGD	
C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NNc2ccccc2Cl)C1	769949560	SENULIJOPRGWPC-GASCZTMLSA-N	400.910	4.607	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)nc2)c1C	771469375	CGWPFXDVJIEGEF-KHAFMBKQSA-N	420.485	4.568	50	20	HJGD	
CC(C)Cc1cc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n[nH]1	773745430	BVFLKJVXWUMAQB-UHFFFAOYSA-N	412.384	4.843	50	20	HJGD	
C[C@H]1CCCN([C@H](C)CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777880757	RIYUKWOULMGPGT-QWHCGFSZSA-N	422.485	4.743	50	20	HJGD	
O=C(CCCCC(=O)c1ccc(F)cc1)NNc1ccc(Br)c(F)c1	779096058	ABGFTMMOXBDWJF-UHFFFAOYSA-N	411.246	4.614	50	20	HJGD	
O=C(NC[C@H]1CCC(F)(F)C1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	797538863	PHTHRNKLXMYYQD-VIFPVBQESA-N	408.339	4.834	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1oc(C(C)C)nc1C#N	797845376	OMJDWTLCPUJEMM-UHFFFAOYSA-N	420.256	4.697	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccc(COc2ccc(Cl)cc2)cc1	805472224	FHCZZBLILKKLCI-UHFFFAOYSA-N	408.889	4.733	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3nccnc3C3CCC3)cc2)n1	805473766	YKRQJFKJDDGANX-UHFFFAOYSA-N	411.556	4.558	50	20	HJGD	
C[C@H]1Oc2ccccc2[C@H]1NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	808959716	ZHYJXRHGGMVIHL-BMIGLBTASA-N	422.375	4.921	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1C	812211458	ZGSVTWIDARUQLD-LICLKQGHSA-N	414.893	4.642	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(-c2ccccc2C(F)(F)F)on1	812544289	OUMKABRDICXMTH-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc2ccc(F)c(F)c2n1	814754518	UPLLFDGPYZNRSV-UHFFFAOYSA-N	408.433	4.709	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3sccc3C#N)c2C)cc1	908106811	NVLYKCSWLPGLAV-WQRHYEAKSA-N	402.479	4.582	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(C)n1CC(C)C	914542353	UCOAOIACQJUFNM-JCHYSQADSA-N	419.569	4.640	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C2SCCCS2)cc1	917213222	ABADPCMNYORRHK-UHFFFAOYSA-N	409.920	4.874	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1cc(F)c(Cl)cc1Cl	918014048	NGRQYTQBFYPPKF-LLVKDONJSA-N	420.271	4.991	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(N2CCN(CC3CC3)CC2)c1	919895190	FKJJWQBAPXULBW-OAQYLSRUSA-N	419.660	4.871	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc(C(C)(C)C)no2)c(C)n1-c1ccccc1F	920492863	FSJFEAOKCGNAFB-GZTJUZNOSA-N	422.460	4.564	50	20	HJGD	
COC(=O)N(C)N=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	1257405063	JMESHGFGYWETGH-UHFFFAOYSA-N	404.466	4.877	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nn1	1318589732	PIIYWUOFHFAYGS-UHFFFAOYSA-N	421.888	4.848	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1csc(-c2ccc(Cl)cc2)c1	1330397900	LKYBWPYKAHWZRE-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
O=C(c1ccc[nH]1)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124861	NTOKIUMUIICEQH-UHFFFAOYSA-N	407.986	4.581	50	20	HJGD	
CNC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1	16015924	BAYZZEZCHPNEJA-XSFVSMFZSA-N	404.514	4.515	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1	33860704	ZQQVJTUFJRPMEI-NDENLUEZSA-N	414.417	4.972	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](O)c2ccc(F)cc2)c(C)n1C1CCCCC1	725883537	KXNIWAAESXQIQQ-BXDIUNCMSA-N	409.505	4.506	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1C	728129424	HHHUTXRKQAUAJE-AWEZNQCLSA-N	411.487	4.722	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](C)CSc2ccccc2OC)cc1	728893687	PNLUVXWTYIYQBI-HNMKQIAWSA-N	410.539	4.545	50	20	HJGD	
Cc1ccc(Sc2ccc(C(=O)NNc3ncccc3Cl)cc2[N+](=O)[O-])cc1	734246506	BHNBDUXFLJTLFY-UHFFFAOYSA-N	414.874	4.860	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1csc(-c2ccc(Br)s2)n1	738543604	SFCAWCDZTQHJIH-UHFFFAOYSA-N	416.272	4.669	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cccc(OCc4ccccc4C(=O)O)c3)nc12	741472793	KFLDHYLTMBXHPT-WQRHYEAKSA-N	410.433	4.608	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)NC(Cc1ccccc1)Cc1ccccc1	743571391	YGUFYSXURGOEGV-UHFFFAOYSA-N	423.516	4.638	50	20	HJGD	
COc1ccc([C@H](NC(=O)NNC(=O)CC(C)(C)C)c2ccccc2Cl)c(C)c1	745912719	WMSUYRNYONZSLD-FQEVSTJZSA-N	417.937	4.513	50	20	HJGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccc(-c2ccncc2)cc1	746052671	QRDLYGVQKGSYOC-MRXNPFEDSA-N	400.931	4.569	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cccc3cnccc23)cnn1-c1cccc(Cl)c1	748753900	AVFDFAQTFTZOGH-UHFFFAOYSA-N	405.889	4.954	50	20	HJGD	
O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)NNc1ccccc1C(F)(F)F	749415413	IXNIBECLSRJPMR-UHFFFAOYSA-N	420.366	4.858	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)no1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	750043574	JLISHJOZQCWEQJ-WSDLNYQXSA-N	406.417	4.818	50	20	HJGD	
CCCCN1C(=O)CC[C@@H](C(=O)NNc2cc(C)ccc2C)[C@H]1c1ccccc1OC	750715699	SBNQGYMDMVFTDU-HYBUGGRVSA-N	423.557	4.535	50	20	HJGD	
Cc1ccccc1-n1nc(C)c(CN(C)C(=O)/C(C#N)=C/c2ccc(F)cc2)c1C	751443841	YLKNNMNTACVHKF-DEDYPNTBSA-N	402.473	4.502	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn(-c2ccc(C)cc2)c1C	753175443	BIKABLZIZHTJNX-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)NNC(=O)Cc3ccc(Cl)cc3)ccc2C)c1	756776247	XLOAEOLZGSRZBY-UHFFFAOYSA-N	424.888	4.540	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2F)c1C	760158489	JWVPCFSICNBUDM-HAKPAVFJSA-N	400.425	4.515	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccc(-n2ccc(C(F)(F)F)n2)c1	761571325	HTWPMEVBTLVUQV-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
Cc1nc(CC(=O)NN=Cc2ccccc2Oc2ccc(F)cc2Cl)cs1	763408863	RZPAQGKUPQQDFC-UHFFFAOYSA-N	403.866	4.729	50	20	HJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=Cc1ncccc1C(F)(F)F	765568475	FALGQLAOOQVMJB-UHFFFAOYSA-N	424.835	4.828	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)c1	769973776	IAGYOFCQEZONQW-ZDUSSCGKSA-N	407.326	4.993	50	20	HJGD	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NNc1cnccn1	770037794	DDKNHZMDTITLAR-UHFFFAOYSA-N	419.464	4.670	50	20	HJGD	
O=C(NNc1nc(O)c2ccccc2n1)c1ccc(Sc2ccc(Cl)cc2)cc1	774330669	QCEKCMHHEDTSLY-UHFFFAOYSA-N	422.897	4.897	50	20	HJGD	
CCCNC(=O)c1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1Cl	775546228	GHGTYBXDCZZYNK-UHFFFAOYSA-N	414.815	4.647	50	20	HJGD	
O=C(O)c1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1O	777632037	JLOCAAKXCVWVIG-UHFFFAOYSA-N	419.349	4.549	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C(=O)Nc1cccc(-c2cccs2)c1	784877771	DSAROLPOPYOGBR-UHFFFAOYSA-N	424.284	4.943	50	20	HJGD	
CCCCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)ccc1OC	787150517	COMVHDXMSZCVID-PNWWAVQQSA-N	408.498	4.667	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(OCC(F)(F)F)c2C)ccc1Cl	788596815	JPUKLWSEDVZQQI-UHFFFAOYSA-N	403.788	4.747	50	20	HJGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c(Br)c1	789148493	PYKXFOYSOPEJPE-WUXMJOGZSA-N	422.637	4.818	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2OC)c1C	789931524	DHQJOYDPZKUITC-DUPVFGOHSA-N	401.894	4.520	50	20	HJGD	
O=C(NNC(=S)Nc1ccsc1)c1cc(-c2ccccc2)nc2ccccc12	790302989	OTYRTGRDJRFKOG-UHFFFAOYSA-N	404.520	4.595	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(Oc2cc(OC)cc(OC)c2)cc1	792636394	WYJOIPMBJNZFPJ-SRZZPIQSSA-N	401.484	4.575	50	20	HJGD	
C[C@H](Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C(=O)O	794689345	AFFMJWUQPMMEQZ-KPYNCUPYSA-N	401.447	4.598	50	20	HJGD	
C[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@]2(CCOC2)O1	797642751	LUHJJBNKMBCZCJ-IAQYHMDHSA-N	402.385	4.756	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	799027134	UUUMTZKGNDCFCP-DTQAZKPQSA-N	418.390	4.805	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(F)F)cc2F)c1C	801073957	HXDQXLLBTCTILD-WJHGTXIHSA-N	421.419	4.599	50	20	HJGD	
Cc1sc([C@H](C)NC(=O)NNc2cccc(F)n2)nc1-c1ccc(Cl)cc1	805194988	MZRABFBMLABBTE-JTQLQIEISA-N	405.886	4.693	50	20	HJGD	
C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	806402420	UZZWGJWZRHJJRQ-JSGCOSHPSA-N	415.428	4.671	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H]2C[C@@H](c3ccccc3)C2)c(C)n1C[C@H]1CCCO1	809104462	PRILCLVHLJNLOO-JXMBHILRSA-N	404.510	4.680	50	20	HJGD	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NNc2ncc(Cl)cc2Cl)s1	811164489	UFBCEXLQXJIKKP-UHFFFAOYSA-N	417.318	4.578	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@H](c1c(Cl)cccc1Cl)C1CC1	812499511	LHOHUGNTOBPLIN-SFHVURJKSA-N	417.296	4.570	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C2CC2)[C@H](C)c2ccccc2)c(C)n1C[C@@H]1CCCO1	914479427	CKZUHUYJMLDSMS-MAFIUXTASA-N	417.553	4.943	50	20	HJGD	
N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1nc2ccccc2nc1Cl	915852630	SWKGHSNCOCIYRL-CLFYSBASSA-N	419.691	4.653	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)cc(Br)c1O	915862698	OHJUYWBWIPHIQQ-AUWJEWJLSA-N	412.243	4.586	50	20	HJGD	
CCCc1ccc([C@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C(C)C)cc1	916194637	ILLTZCHQISNIIC-JOCHJYFZSA-N	404.514	4.529	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@H](c1ccccc1)c1cccc(Cl)c1	916651531	LCXKKFRCABDDMB-LJQANCHMSA-N	414.292	4.727	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C3/COc4ccc(F)cc43)n2)c1	918156128	LMZLNVIUXFOGCF-ZCXUNETKSA-N	405.454	4.874	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c(C)c1	1324293364	AQAWIGTXPCTYBP-UHFFFAOYSA-N	409.530	4.662	50	20	HJGD	
O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	1338307446	BLPWSDRIFLGGRW-OXJNMPFZSA-N	404.601	4.675	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3ccc(Cl)cc3OC)o2)c1C	1341517859	ACOHPVRGLBQMDB-MHWRWJLKSA-N	412.877	4.528	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccccc34)CCC2)cc1	1786010362	HBWLFUGVTSDQAY-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCCCCl)[C@@H]1c1cccnc1	1806720977	QRRPAJCZCRLTNG-FYYLOGMGSA-N	422.013	4.857	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cnn(Cc3ccccc3)c2)c(C)n1CC(C)C	108887719	SRAAYNJQVKOWMT-JJFYIABZSA-N	401.514	4.551	50	20	HJGD	
CCOC(=O)c1oc2ccccc2c1CNC(=O)CCCC[C@H]1CCSS1	727858044	TZHTWUUQUOGZFV-AWEZNQCLSA-N	407.557	4.940	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)c1ccccc1SCc1cccs1	730226601	NYEAIRAQXQLBNN-UHFFFAOYSA-N	419.531	4.663	50	20	HJGD	
O=C(Cc1cccc(Cl)c1)NNc1ccc(Br)cc1C(F)(F)F	731477333	DQKDHQCOBBUANQ-UHFFFAOYSA-N	407.617	4.807	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	734247446	LMPFDRSVAOOHSK-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3nccc4sccc34)s2)cc1	734249965	NRBVYMOMCFXNKB-UHFFFAOYSA-N	410.524	4.884	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CCc2ccc(Cl)cc2Cl)c1C	734259084	CGJUFOYCQMRYKQ-UHFFFAOYSA-N	416.312	4.538	50	20	HJGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(C)(C)C	734337762	ZDPLFVZSJGTZTO-JIHKLPAASA-N	423.948	4.823	50	20	HJGD	
O=C(CCCc1cccs1)Nc1cccc(C(=O)NNc2c(F)cccc2F)c1	735695922	LTRKSPWFWGCPMN-UHFFFAOYSA-N	415.465	4.745	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccccn2)c(C)n1-c1ccc(F)cc1	743656091	YEENPRBSRZIMOT-SQVRNEIYSA-N	402.473	4.755	50	20	HJGD	
CC(C)(C)Cc1nc(-c2cccc(C(=O)NNc3ccc(OC(F)F)cc3)c2)no1	748636990	DLPORSSTXUBDQW-UHFFFAOYSA-N	416.428	4.684	50	20	HJGD	
Cc1nc([C@H]2COCCN2C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)no1	752977992	JAQOMOGODKYNCK-GFCCVEGCSA-N	414.356	4.641	50	20	HJGD	
O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	752993667	AKNLQOJVWVGQPW-QZTJIDSGSA-N	414.637	4.750	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(CN2CCOCC2)c(Cl)c1	753123870	XPQCVJIGSDEFNL-KRWDZBQOSA-N	415.024	4.825	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1occc1COc1ccccc1	753178966	XFWFQIUGBCWLPZ-UHFFFAOYSA-N	415.287	4.940	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1C	753371519	ZENZCQHBEAPVDU-NDIVBHAQSA-N	405.542	4.706	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3n2C2CC2)c1C	755152267	RPRYXHRPQBESDL-QUYZQLMHSA-N	417.513	4.543	50	20	HJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	756857931	YOKJAVYDXSZKES-UHFFFAOYSA-N	413.562	4.679	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)c1	759311239	RKAVUDNYXOZZPH-UHFFFAOYSA-N	407.873	4.619	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c(Br)c1O	761014463	ZHJRWJPVMNRALK-UXBLZVDNSA-N	405.248	4.976	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)c1ccc2ccccc2n1	762441350	LGDIBLLGGITXAT-LAUBAEHRSA-N	422.529	4.520	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1C	765864443	ZZOVFIHPMWTDES-CJTQKWKHSA-N	422.312	4.870	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1	765981828	LFRKKSJOVXEOMO-RIYZIHGNSA-N	408.395	4.699	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[C@H](Br)C(C)(C)C	767331404	JJROBLNKEREKRK-PBHICJAKSA-N	409.368	4.758	50	20	HJGD	
Cc1oc(-c2cccs2)nc1CC(=O)NNc1c(Cl)cc(F)cc1Cl	767396197	NITFTPYBSYACOM-UHFFFAOYSA-N	400.262	4.843	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc(Cl)cc(Br)c1F	768093936	TWUQEQYSLCMDOT-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2c(F)cccc2F)cc1Cl	768481803	APGQEXIGUVWCQV-YRNVUSSQSA-N	414.799	4.563	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(F)cc2Cl)c1C	768746323	GJNXOSFKSCISFG-RQRKTLAASA-N	404.869	4.755	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1	769057452	WBGJIDBLAQKQCX-UHFFFAOYSA-N	418.840	4.689	50	20	HJGD	
COc1cc(C)ccc1Oc1ccc(NC(=O)NNc2ccc(F)c(F)c2F)cn1	769959803	SUCACGGIKIKXCF-UHFFFAOYSA-N	418.375	4.757	50	20	HJGD	
CCOc1ccc(NC(=O)NNc2ccc(Br)c(F)c2)cc1OCC	771094335	OAOGRQINIAMDMF-UHFFFAOYSA-N	412.259	4.534	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)NNc2ccc(C(F)(F)F)cc2)c1	772817635	IDSGNQMAZOEYIM-UHFFFAOYSA-N	409.408	4.738	50	20	HJGD	
Cc1ncc(CN(C)C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)s1	772955317	RVZBSRNFLWQPJJ-UHFFFAOYSA-N	415.409	4.706	50	20	HJGD	
COCCC1(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CCCCC1	773721714	SKDKGPPSNZRGCF-UHFFFAOYSA-N	424.545	4.676	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(Oc2ccccc2Cl)nc1	775272732	JIPBWXBWXSYGOQ-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc2ccc(OC(F)(F)F)cc2[nH]1	775275539	LZDHZZQGYWRUOY-UHFFFAOYSA-N	405.163	4.525	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(-c2ccc(C#N)cc2)n1	777869525	LELUAGHGFWJQFN-NVNXTCNLSA-N	422.275	4.811	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(-c2ccccc2)cc1	783367990	NFIOUBHXPOGGJS-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2F)cc1	786053628	OGCFXFBJMSWVFE-XDHOZWIPSA-N	404.416	4.864	50	20	HJGD	
Cc1noc(C)c1COc1ccccc1C(=O)NNc1cc(Cl)cc(Cl)c1	791732226	AMPSKQTVHGVAIX-UHFFFAOYSA-N	406.269	4.934	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ncccc1Oc1ccccc1	799342213	LXCLNRXWUBFXRA-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2nccnc2C2CCC2)c(C)c1	805468299	GDOQPIYKBGLRQI-UHFFFAOYSA-N	405.527	4.664	50	20	HJGD	
N#CCCCCCC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	806293805	BVPWIDDYXVOFPZ-UHFFFAOYSA-N	415.946	4.867	50	20	HJGD	
CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)c1ccc(Br)s1	814759894	RTUXLCQGPFPAMM-DZGCQCFKSA-N	407.333	4.579	50	20	HJGD	
CC(=O)Nc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F	817016201	KTFYHXYJVBAFOS-UHFFFAOYSA-N	423.288	4.579	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)cc1	817931104	LTLADYBNYAHJHP-UHFFFAOYSA-N	406.873	4.835	50	20	HJGD	
COCc1ccccc1CNC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	914508101	VLIVFNONCFVNKB-UCQKPKSFSA-N	405.542	4.980	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@H](CCc1ccccc1)c1ccccc1	918231351	GJHXLRYPDNDHFX-OAQYLSRUSA-N	407.901	4.658	50	20	HJGD	
N#C/C(=C/c1csc(COc2ccc(Cl)cc2)n1)c1nnc2n1CCCCC2	918714063	VFZNBXIVQXAYCR-UVTDQMKNSA-N	411.918	4.758	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC)cc3)CCC2)cc1	1786443220	AZPHXRFJVDXFGO-FQEVSTJZSA-N	413.949	4.884	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(OC)c3)CCC2)cc1	1790488306	AAPVZEFJLGPEQB-FQEVSTJZSA-N	414.933	4.769	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(F)c3F)cc2)CCC1	1792128842	DGKWRXFLVZKOPJ-MRXNPFEDSA-N	424.850	4.869	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1	1824618661	LEPXVKMOZFWEGX-SXWKCWPCSA-N	409.014	4.760	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)s2)CC1	1825346592	BKIZLXYFIBYFQI-HOTGVXAUSA-N	414.974	4.528	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1	1830309705	JKWBUZCFWGSOQZ-PMACEKPBSA-N	416.949	4.684	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1	1831790342	HOUDZFHVUTUKDB-PMACEKPBSA-N	411.030	4.984	50	20	HJGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1	7621271	FFSNVKFKRZATDR-DYTRJAOYSA-N	419.525	4.638	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccc(F)cc2)c(C)n1C[C@H]1CCCO1	26872250	YAVACMWSFURENI-XONJNCPTSA-N	409.505	4.550	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1C[C@@H]1CCCO1	214220733	ALZUKMSRDKBASV-OWMRDYPQSA-N	417.431	4.848	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl	728176292	RTZZOBMEIZFWJV-JYRVWZFOSA-N	401.228	4.864	50	20	HJGD	
Cc1ccc(Sc2ccc(C=NNC(=O)c3cccc(C#N)c3)cc2[N+](=O)[O-])cc1	728785208	ZGVAKFLYCJNSEO-UHFFFAOYSA-N	416.462	4.690	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	730516968	GHCZXNACUYLHRE-STQMWFEESA-N	418.107	4.865	50	20	HJGD	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNC(=S)Nc1cccc(Cl)c1	738555652	FLZBUFPIJBZRIH-LLVKDONJSA-N	415.868	4.555	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)c1	738555675	GRKHOBQWRCFYIJ-CQSZACIVSA-N	409.477	4.519	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)c3nc4c(C)ccnc4[nH]3)cc2)cc1	741471534	BDCRVIQWGDTYBZ-MOSHPQCFSA-N	424.460	4.696	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c(Cl)c1	743593616	UWCVWMWAPKDTDJ-SFHVURJKSA-N	404.873	4.665	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccc(OCC(F)(F)F)cc3)o2)cc1	748705033	VTXWNLOLIXZVSF-UHFFFAOYSA-N	418.371	4.847	50	20	HJGD	
CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c1C	751272832	ZDZYEDKYKHBBOM-UHFFFAOYSA-N	408.951	4.706	50	20	HJGD	
CCOc1ccc(-c2noc(CCC(=O)NNc3cc(Cl)ccc3Cl)n2)cc1	752809797	BCTJMSFGXRQOBQ-UHFFFAOYSA-N	421.284	4.518	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)[C@@H](C)CC(=O)c1ccccc1F	753168653	FGFJNMMOCZOEPW-LBPRGKRZSA-N	407.283	4.503	50	20	HJGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NNC(=O)c1ccc2ccccc2c1	755192867	JXTPXWCHQMRTIR-UHFFFAOYSA-N	421.305	4.632	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cccc(OC(C)C)c2)c1C	756053040	LSJDFBSZPXJPLM-VFOSSOBBSA-N	423.557	4.665	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	756629977	BRRXCSIMQGWMEW-ZIAGYGMSSA-N	405.564	4.872	50	20	HJGD	
CC(C)(C)OCc1ccc(NC(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1	757602717	BONRZXKTVAAJLI-UHFFFAOYSA-N	421.950	4.600	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)[C@H](C)Cc1ccccc1[N+](=O)[O-]	761254033	KZCZKSYNRGVAMS-MRXNPFEDSA-N	421.453	4.751	50	20	HJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)C(=O)Nc1ccccc1Br	761387375	VRGOEOXDVWBJQG-XFFZJAGNSA-N	404.626	4.659	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)C[C@@H](O)c2ccco2)c(C)n1C1CCCCC1	761861897	QXFKGADGTNVCFB-RIHXIATLSA-N	409.530	4.739	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCO[C@@H]([C@H]2CCCO2)C1	762975168	KBDZQGABVODAPL-ZIAGYGMSSA-N	402.385	4.756	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)OCc2cn(C)nc2C(F)F)c1C	770305523	POQCHQPRLVXAQO-ZDLGFXPLSA-N	424.451	4.724	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)C(=O)c3cccc(F)c3)cs2)cc1	772171068	CFMYDZCZQQOVNE-LFIBNONCSA-N	421.453	4.765	50	20	HJGD	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	776488831	ZECBHZQDDNKXFX-MUIAGPEESA-N	407.562	4.762	50	20	HJGD	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)C3CCCC3)cc2OC)cc1	781555499	JYHRXOYNZNGVTG-CPNJWEJPSA-N	405.450	4.589	50	20	HJGD	
C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	782009827	QXXWMWCRUAWPAV-PFMFLNCGSA-N	424.482	4.878	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cn(-c2ccc(Cl)c(Cl)c2)nn1	783695661	HRIVZCPGQXULFO-ZSOIEALJSA-N	412.280	4.737	50	20	HJGD	
Cc1cc(C)nc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)n1	787322518	LAJDNJLZZZDUCZ-WOJGMQOQSA-N	405.889	4.700	50	20	HJGD	
C[C@H]1CN(CCN(C)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H](C)O1	788669894	PRVJKPZHDFUCLH-BETUJISGSA-N	417.444	4.917	50	20	HJGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl	788696742	VVFHPVPYKMQTDY-UHFFFAOYSA-N	406.191	4.766	50	20	HJGD	
CCOc1ccc(C(=O)NN=Cc2cnc(-c3ccc(Cl)cc3)s2)cc1OC	788976444	YQCFMEOQLUMDAF-UHFFFAOYSA-N	415.902	4.635	50	20	HJGD	
COc1cc(NNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)ccc1Cl	790179832	GZWWOTOBHXZROX-UHFFFAOYSA-N	422.337	4.735	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNc2cc(Cl)cc(Cl)c2)c1C	791719428	XQRNAPVIYNJPFB-JWYAVWBNSA-N	421.328	4.669	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12	799754395	HOGKKGGMTNIYDC-UHFFFAOYSA-N	407.420	4.587	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCOC[C@@H]1c1nc2ccccc2s1	800629657	WEYBABXJLIGOBH-GDBMZVCRSA-N	408.614	4.910	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccc(-c2ccc(Br)cc2)c1	806541704	IHPFJUPMKOAOFD-UHFFFAOYSA-N	406.280	4.677	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccn2)cc1	819842039	ILPGODKTRWTILP-UHFFFAOYSA-N	417.509	4.849	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccno2)c(C)n1-c1cccc(C(F)(F)F)c1	906506731	WDELSHSVMRLCFH-CXUHLZMHSA-N	415.371	4.751	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2cccc(F)c2)C(C)C)c1C	914501593	CDXNAUADVUTFMG-FNLSEGDXSA-N	411.521	4.796	50	20	HJGD	
Cn1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)nc2cc(Cl)ccc21	915994800	SZXVYZOMKPQGEW-PDGQHHTCSA-N	412.927	4.841	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cccc(Cl)c3)nn2-c2ccccc2)cc1	916164219	OBOPDKOGEGPBJC-UHFFFAOYSA-N	418.884	4.958	50	20	HJGD	
CCCCn1nc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)c2ccccc2c1=O	916324434	CLZMPRSCVXQCRV-UHFFFAOYSA-N	424.504	4.628	50	20	HJGD	
CSc1cccc(NC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1	916973662	PQAZLEXQEDWHIZ-UHFFFAOYSA-N	418.478	4.683	50	20	HJGD	
O=C(NN=C1CCN(C2CCCC2)CC1)c1ccccc1OCc1ccc(F)cc1	917534176	WHNCIRZNCQTINS-UHFFFAOYSA-N	409.505	4.529	50	20	HJGD	
C=C(Br)CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	921113438	NDQNBCYBYYCHNB-JTQLQIEISA-N	403.651	4.936	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2ccc(Br)cc2)cc1OCC	932509377	AHPUGGCMTLKIAL-UHFFFAOYSA-N	407.308	4.784	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(Br)c(F)c1)c1nc(C(C)(C)C)cs1	1320354491	VKODZIVRZJMIBM-SECBINFHSA-N	415.332	4.730	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1ccc(C(C)(C)C)nn1	1325150389	JURZORWEUGAWDI-UHFFFAOYSA-N	420.300	4.801	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CCN(c3cccc(F)c3)CC2)c1C	1328991438	YUMRFCXJBPZABM-RCCKNPSSSA-N	422.548	4.736	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1	1786447018	MLVRZDOWKFCULG-HXUWFJFHSA-N	409.917	4.713	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1	1789356976	JYBCSGMJUMECCX-SFHVURJKSA-N	424.932	4.718	50	20	HJGD	
CC(C)(C)c1cc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)c[nH]1	1791603645	USUANZRKIYADRA-UHFFFAOYSA-N	422.356	4.864	50	20	HJGD	
C[C@H](C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1)c1ccccn1	1791938689	FXIGFYPWDTYUMN-INIZCTEOSA-N	413.949	4.584	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2	1793680611	DCPVYZZBVAWVKL-YVSFHVDLSA-N	422.953	4.700	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)[C@H](C)CC	1795567917	NKPPHQRIBINDCH-FKOZLKKJSA-N	419.009	4.862	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1	1806163122	JWXXDKSFCNOIOR-SFHVURJKSA-N	411.373	4.592	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2C)CC1	1829950147	PXYQGPBPGUHUPY-LEWJYISDSA-N	404.982	4.554	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(C)s2)CC1	1830314300	DJOSYAYBWYTBTK-JNTVOPSESA-N	423.022	4.707	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2C)ccc1OC(=O)c1ccccc1F	26395241	QABHCBLLRJDZPY-LFIBNONCSA-N	405.381	4.745	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	27121913	XXIUVFHKSLOERF-CAOOACKPSA-N	418.305	4.577	50	20	HJGD	
COc1cccc([C@H](CNC(=O)CCCC[C@H]2CCSS2)N2CCCC2)c1	302711228	SMTDMOBKWNHGQK-PMACEKPBSA-N	408.633	4.662	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCNC(=O)OC(C)(C)C)c(C)n1C1CCCCC1	726338505	FPZSYTXQYHQCBO-XMHGGMMESA-N	415.534	4.585	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3ccncc3)c2C)cc1	726384345	BIVONYSHCYMFPF-STZFKDTASA-N	401.466	4.538	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(OC(F)(F)F)cc1	726705068	YUGUITQNRAGIHS-JTQLQIEISA-N	405.323	4.574	50	20	HJGD	
CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	731480425	GJAPAHBBKZTTMU-VQTJNVASSA-N	412.665	4.730	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1	731487731	ZOASPSMBDDOGAR-UHFFFAOYSA-N	404.186	4.625	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2	733926829	CDJBHWBTMSJXGM-INIZCTEOSA-N	414.962	4.720	50	20	HJGD	
CCc1nc([C@@H]2CCCCN2C(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)no1	737624957	MZQLLNGZRBFACS-URBQWANRSA-N	423.561	4.757	50	20	HJGD	
CC(C)c1csc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)n1	747439787	OHBRCBIQYAAFRG-LFYBBSHMSA-N	407.289	4.557	50	20	HJGD	
Cc1nc(CCC(=O)NNc2ccccc2F)oc1-c1ccc(Br)cc1	748056734	RGBACKDOWFTVRX-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
CSc1nc(-c2ccco2)nc(C)c1C(=O)NNc1ccc(C(F)(F)F)cc1	748506563	AZVMITAKVFFALK-UHFFFAOYSA-N	408.405	4.543	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(-n2nc(C)cc2C)nc1	748669249	FXGVKHSOMUJLJC-UHFFFAOYSA-N	405.527	4.834	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)COc1cc(Cl)c(Cl)cc1Cl	751174334	OHEWUBJLEIJFDW-UHFFFAOYSA-N	406.605	4.548	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3oc4ccccc4c3c2)c2ccccc2n1	755360645	FRCCEGAEYLWNTI-UHFFFAOYSA-N	410.433	4.909	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)C/C(C)=C/c2ccccc2)c1C	756570839	DVGMUQLRKYTKLP-NMJGNLMXSA-N	405.542	4.781	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)c2ccc(OC)c(Cl)c2)c1C	757774329	ROMCIHWPULPYAU-ZNBBLSJYSA-N	415.921	4.544	50	20	HJGD	
COc1ccc(C(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1Cl	760460082	XRZQXHILUJQKEQ-UHFFFAOYSA-N	408.068	4.635	50	20	HJGD	
CC(C)CO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762673437	PESDWCQZNNTQPI-CYBMUJFWSA-N	416.412	4.556	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(CCC(=O)NNc2ccc(C(F)(F)F)cc2)CC1	765873776	HPCGXGLBSJAFBR-UHFFFAOYSA-N	415.456	4.576	50	20	HJGD	
FC(F)(F)[C@@H](Cl)Sc1ccccc1NCc1cnc(N2CCCC2)nc1	770514469	SLYYGZWZGNKPAQ-HNNXBMFYSA-N	402.873	4.908	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1ccc(CSc2ccccc2)cc1	771553272	KLROMEPJBAYGAT-UHFFFAOYSA-N	414.328	4.893	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3ccc(Br)c(F)c3)cs2)c1	771675537	VTHFBAUIUWZKLK-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)CCCC[C@@H]1CCSS1	772756799	RCUNAWFAHFEDPH-IEBWSBKVSA-N	415.628	4.986	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1	773639282	VHSLOPMEBWFNRD-UHFFFAOYSA-N	414.383	4.623	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CC(Cc2ccccc2)C1	773668545	LDJVTSXVRUYUOU-UHFFFAOYSA-N	420.403	4.984	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNc1ncc(Cl)cc1Cl	775270585	JMKQPCCBHLTZJF-UHFFFAOYSA-N	424.719	4.660	50	20	HJGD	
COC(=O)COc1c(C)cc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1C	780526022	AANBQVLRBLKWEX-MFOYZWKCSA-N	417.383	4.664	50	20	HJGD	
O=C(NCc1cc(Cl)ccn1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	784836345	IQPBPDVYNMOIFQ-UHFFFAOYSA-N	415.771	4.647	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1	799405219	NZBBSQHEHHQHEZ-UHFFFAOYSA-N	404.470	4.597	50	20	HJGD	
CC(C)Sc1ccc(C(=O)NNc2cc([N+](=O)[O-])ccc2Br)cc1	800619283	LWPGSOHDOGXNDP-UHFFFAOYSA-N	410.293	4.615	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccsc1	805459624	WCXNRWNPFAVHEA-NSHDSACASA-N	407.421	4.611	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CC2CCC1CC2	816013612	URVQXVNKRIFHQL-MGULZYLOSA-N	419.437	4.975	50	20	HJGD	
Nc1ccc(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)s2)cc1	863950716	JJLCRXMQRJMKEY-UHFFFAOYSA-N	400.301	4.524	50	20	HJGD	
CC(C)n1ncc2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c(Cl)nc21	873865134	CRFJAOJAGQLMDY-NTUHNPAUSA-N	400.269	4.865	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C2CC2)[C@H](C)c2ccccc2)c(C)n1C[C@H]1CCCO1	914479723	CKZUHUYJMLDSMS-TWVSMTPISA-N	417.553	4.943	50	20	HJGD	
CCNC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	915175591	PEJAQSXQRWUMCW-HKWRFOASSA-N	418.541	4.906	50	20	HJGD	
CN(CCOc1ccccc1Cl)CCP(=O)(c1ccccc1)c1ccccc1	917067973	GLPNGBNBWUTSPO-UHFFFAOYSA-N	413.885	4.665	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	917145228	OMSUGPBPULUUBS-DQPIFXJKSA-N	404.901	4.927	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccc(Cl)cc2)n1)c1cccc(Cl)c1	918709843	YTILYZDGUAWCJR-UHFFFAOYSA-N	406.294	4.793	50	20	HJGD	
COc1ccc(CCC(=O)NN=Cc2ccc(-c3nc4ccccc4s3)o2)cc1	920380571	WCAHCXFMZPVPII-UHFFFAOYSA-N	405.479	4.648	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NN=Cc2ccc(-c3ccccc3)s2)CC1	1116088955	VEOGWBRVSCZRSE-UHFFFAOYSA-N	413.543	4.512	50	20	HJGD	
O=C(NN=Cc1cc(Br)cc(Br)c1)c1ccccc1Cl	1342838287	ASJMOTJCPBBHRO-UHFFFAOYSA-N	416.500	4.629	50	20	HJGD	
C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788585255	XEBJWOCDMZVOGG-LJQANCHMSA-N	423.004	4.706	50	20	HJGD	
CCOc1ccccc1C(=O)NC1(c2ccc(NC(=O)[C@H](Cl)CC)cc2)CCC1	1790490042	QGRAQVUSRSPDFQ-LJQANCHMSA-N	414.933	4.850	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1C	5870265	AFLMNZVRXXKQJH-CCULFSDZSA-N	421.541	4.918	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCC)c1OC(F)F	7160131	MLGRJPZGUBLUJY-NTCAYCPXSA-N	402.397	4.631	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccccc3[N+](=O)[O-])n2)c1	212639494	RKYCPBBBPIRKTN-YBEGLDIGSA-N	404.451	4.881	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1C	727055722	SVKSMFMINYGJBJ-HZQRVDCZSA-N	419.569	4.843	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2CN2CCCC2)c(C)n1CC(C)C	728388204	RGIRZKSOEGPCQR-AFUMVMLFSA-N	418.585	4.580	50	20	HJGD	
CC(C)(C)n1cc(C=NNC(=O)CNc2ccccc2)c(-c2ccccc2Cl)n1	731149011	FEQJWXNBRQUENR-UHFFFAOYSA-N	409.921	4.521	50	20	HJGD	
Cc1ccc(OCC(=O)NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1	731152066	ZSGQDUTZDSUUDE-UHFFFAOYSA-N	424.932	4.796	50	20	HJGD	
Cc1cccc(NNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)c1	731784507	XKMQMPKQXOCMCF-UHFFFAOYSA-N	401.297	4.733	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccc(OCc3cccnc3)cc2)cc1	733417537	XMPBJALHLFEKCS-HYARGMPZSA-N	414.461	4.710	50	20	HJGD	
CC(C)CCn1cc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)nn1	740648618	UYZLSTRLEDCBFE-OAHLLOKOSA-N	406.861	4.796	50	20	HJGD	
O=C(Cc1c(Cl)cccc1Cl)NNc1c(F)cc(F)cc1Br	741981467	KPTQGAAOPOAVLP-UHFFFAOYSA-N	410.045	4.720	50	20	HJGD	
Cc1cc([C@H](NC(=O)NNC(=O)c2ccccc2)c2ccccc2Cl)ccc1F	743521794	SFSQQCMHWFNXJP-FQEVSTJZSA-N	411.864	4.521	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c1C	747397502	HBLUXZBEEREDBL-TUVRHOMCSA-N	420.557	4.674	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1)c1cccc(Cl)c1	750305331	GUWBAAVMAHQEBY-KAMYIIQDSA-N	403.935	4.548	50	20	HJGD	
CCCCCn1nc(C(=O)NNc2cc(Cl)ccc2Cl)c2ccccc2c1=O	752813228	SICARPBGBLISNH-UHFFFAOYSA-N	419.312	4.650	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	756571643	CKGBXKRVHSPXLI-UHFFFAOYSA-N	422.407	4.626	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cn1)c1ccccc1	761580620	DRUBHORGIVCFQE-CQSZACIVSA-N	417.387	4.877	50	20	HJGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762979475	JMCOPGCGFDLYLR-UHFFFAOYSA-N	413.343	4.879	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2ncnc3ccsc23)c(C)c1	766679416	XJESDWSELILILX-UHFFFAOYSA-N	407.524	4.611	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c([N+](=O)[O-])c1	768329587	ZNOQCFCERYIHDD-UHFFFAOYSA-N	403.847	4.742	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1csc(Cc2ccc(F)cc2)n1	771674485	NJINQJSWQBIVKN-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
C[C@@H](O)c1ccc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	773296218	FLBSXWPZZFCBDU-LLVKDONJSA-N	424.391	4.652	50	20	HJGD	
CC(C)c1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1	775221014	KXRPETGKTMPXJY-HZHRSRAPSA-N	423.520	4.811	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(C)n(-c2ccccc2Cl)n1	776486622	HBYBXCWKYPERKA-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1sc(NC(=O)c2ccco2)cc1C	777481371	AZCBUMYKAVSVIF-UHFFFAOYSA-N	406.467	4.515	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2ccc(C#N)cc2)n1	777870586	UVHPUWCQBMXMRQ-UUASQNMZSA-N	422.275	4.811	50	20	HJGD	
O=C(NN=Cc1ccc(SC(F)F)cc1)c1cc(F)ccc1Br	781592477	CDYJTLOCIGFSRB-UHFFFAOYSA-N	403.223	4.667	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(C(F)(F)F)c2)c1C	790070384	ILPKFZIGRCGNSR-RPJLVFAOSA-N	419.447	4.555	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H]1[C@H]1CCCO1	790404588	SDAMINRGXHGGMZ-ZIAGYGMSSA-N	407.426	4.676	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=C3CCC34CCC4)c3ccccc3n2)cc1OC	799870759	YJYYHMSASYWBPN-UHFFFAOYSA-N	415.493	4.969	50	20	HJGD	
CC1(C(=O)NNc2ccc(Cl)c(F)c2)CCN(c2ccc(Cl)cc2C#N)CC1	804472541	WSDZAYPRAWCZPD-UHFFFAOYSA-N	421.303	4.754	50	20	HJGD	
C[C@@H]1C(=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC[C@@H]1CC(=O)O	814726786	CADOWAOXZCNRGC-WMLDXEAASA-N	414.889	4.526	50	20	HJGD	
COc1cc(/C=C\C(=O)NNc2cc(C)cc(C)c2)ccc1OCc1c(C)noc1C	857499114	DEPACGXGLIOHDM-CLFYSBASSA-N	421.497	4.652	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)c1ccc(F)cc1	890732603	RPJNRKLORSDSBH-UHFFFAOYSA-N	402.347	4.832	50	20	HJGD	
C[C@@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1	914526548	AHXWSMQKTPPFMX-CYBMUJFWSA-N	421.913	4.848	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NS(=O)(=O)c1cc(Cl)sc1Cl	916823363	KAEOGWFZBOIAAB-MRVPVSSYSA-N	420.430	4.574	50	20	HJGD	
CCCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	917368822	IZKYQGQHIPYHAI-AIAVXMCLSA-N	419.569	4.938	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C#N)C(=O)Nc2ccccc2F)cs1	917562256	XTABBYWJBMYIRK-LFIBNONCSA-N	420.469	4.821	50	20	HJGD	
O=C(NNC(=O)c1ccccc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	918004390	CKBHZWMUZLVZRZ-UHFFFAOYSA-N	414.292	4.727	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3F)cs2)c1C	918665158	IWMUAANLDZOGMH-GZTJUZNOSA-N	424.501	4.560	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccccc2OC(C)C)c1C	918818661	XSFBHKOAMQAPRH-FNLSEGDXSA-N	410.514	4.750	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCC(C)(C)c2ccccc2)c1C	919935879	QXYAKWUDBMEEDP-OMNSNBSWSA-N	407.558	4.703	50	20	HJGD	
Cc1nc(COc2ccccc2C(=O)NNc2cccc(Br)c2)cs1	932508434	PTAKZRKRKSFXFS-UHFFFAOYSA-N	418.316	4.550	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNC(=O)N[C@H](C)c2cc(C)oc2C)cc1	1115908095	YGDVAYCOLAIVLO-MRXNPFEDSA-N	401.507	4.561	50	20	HJGD	
Cc1c(/C=C(/C#N)c2nnc([C@H](C)Oc3ccc4ccccc4c3)o2)cc(C#N)n1C	1257770120	ZKBRPZIEYMNWQK-OBLBUWMUSA-N	409.449	4.946	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cn3)cc2)CCC1	1789734247	XHBSGNBFCBHRBD-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccccc34)CCC2)cc1	1790486466	BMKQBNHDRPSJPS-FQEVSTJZSA-N	421.928	5.000	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1	1791361293	ZKHGSVBCKWMUHJ-SFHVURJKSA-N	421.379	4.874	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1C	17473063	BWOYVQBPNWCVLA-UKTHLTGXSA-N	419.453	4.669	50	20	HJGD	
CCc1c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cnn1-c1ccccn1	56061213	FZSGJFQSDRIQES-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1cccc(NC(=O)c2ccco2)c1	59368367	FFNAJQYKXWUURE-UHFFFAOYSA-N	411.461	4.884	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)c(C)n1CC(C)C	726511001	SMAQEMDDNSMZAC-RVWGSWSJSA-N	405.542	4.704	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1csc(-c2ccc(Cl)cc2Cl)n1	730288852	AKHKUPDMSBJANS-UHFFFAOYSA-N	415.305	4.844	50	20	HJGD	
CCOc1ccccc1C(C)=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	730557304	BGKUNNFHLXUKJR-UHFFFAOYSA-N	409.511	4.559	50	20	HJGD	
CCOc1ccccc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	731477324	DJUNCCABMKOJTG-UHFFFAOYSA-N	403.198	4.624	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc([S@@](C)=O)c2)c(C)n1-c1ccccc1F	732122886	KQHSKEVIXMWMHK-NMRVXNTDSA-N	421.497	4.516	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)c1ccccc1	732235800	KGLNZJZXVCYEKL-AAEUAGOBSA-N	412.292	4.718	50	20	HJGD	
CCOC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)C1	733763495	XPGDJFLOICUKSK-VLDJDNEVSA-N	405.542	4.585	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cccc(COc2cccc(F)c2)c1	740093406	NZIYSNNPJJVBCC-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
CC(=O)Nc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	746792180	NWFCGRDBAJSUOQ-GIJQJNRQSA-N	412.921	4.918	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	748811002	MDKCDDAWYHFECU-OLZOCXBDSA-N	403.429	4.907	50	20	HJGD	
CCCCN1C(=O)CC[C@@H](C(=O)NNc2cc(C)ccc2C)[C@@H]1c1ccccc1OC	750715702	SBNQGYMDMVFTDU-YKSBVNFPSA-N	423.557	4.535	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(C(F)(F)F)ccc1F	753175900	OLWXEQODKQWWSJ-UHFFFAOYSA-N	405.189	4.926	50	20	HJGD	
COc1ccc(C(=O)NN=C2CC(c3cccc(Cl)c3)C2)cc1Br	753921422	IFPWUKBBUMHKPY-UHFFFAOYSA-N	407.695	4.775	50	20	HJGD	
Cc1cc(NNC(=O)c2scc(C)c2Br)ccc1Br	754234773	NNNGZJHXCBXABL-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
CN(C)c1cccc(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n1	755097257	XMANGXSKYPOESO-HNNXBMFYSA-N	418.872	4.689	50	20	HJGD	
O=C(NN=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(COc2ccccc2)o1	755581011	KCXYUSGGDBUWOB-UHFFFAOYSA-N	406.335	4.780	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3ccc(F)c(F)c3F)c(C(C)(C)C)n2)cc1	759079277	WTUAOOHTXQKBJG-UHFFFAOYSA-N	402.420	4.652	50	20	HJGD	
O=C(NN=Cc1nc2ccc(F)cc2s1)c1ccc(Br)cc1Cl	761806637	FJGSBGSOGHAUGP-UHFFFAOYSA-N	412.671	4.615	50	20	HJGD	
C[C@@H](C(=O)NNc1nc(C(F)(F)F)cs1)c1cccc(C(=O)c2ccccc2)c1	762260447	LWJWGWPTTHVROH-GFCCVEGCSA-N	419.428	4.640	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc([S@@](C)=O)c(F)c2)c(C)n1CCC(C)C	765101628	ZXMJBODPEQBSKA-DBMAADLESA-N	415.534	4.573	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2c(C)oc3ccccc23)c1C	767214071	IJJUHUXCDIQTKA-VBNMEBLOSA-N	405.498	4.590	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3cn(C)nc3C(F)F)c2C)cc1	770325811	LYGLIFOQYOOWTP-VCHYOVAHSA-N	424.451	4.724	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1	773625241	GLMGSWAPMCGACI-BENRWUELSA-N	414.433	4.636	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCOCC2(CCC2)C1	778073043	MVDAFRQWIODXPV-UHFFFAOYSA-N	407.426	4.535	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	780728759	HKGLWPSDDRQEQC-UHFFFAOYSA-N	415.424	4.584	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccn2Cc2ccccc2C#N)cc1Cl	782197250	GFSGVHRAWCPTRT-WOJGMQOQSA-N	416.868	4.616	50	20	HJGD	
CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1C	782982039	UKJDGXHFSXYUJV-STQMWFEESA-N	422.485	4.837	50	20	HJGD	
COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)NNc1ccc(Cl)c(OC)c1	788683960	YPRIQACNVFHVSJ-LLVKDONJSA-N	414.289	4.564	50	20	HJGD	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNc1cccc(F)c1[N+](=O)[O-]	790589426	YTVQYMKSDIOFHR-PKNBQFBNSA-N	401.394	4.758	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1	792633684	MAZOCHVOXNSWJJ-UYRXBGFRSA-N	402.903	4.672	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)Nc1ccc(Cl)cc1Cl	802092079	BIRNKULAVZOTLT-UHFFFAOYSA-N	421.309	4.512	50	20	HJGD	
Cc1cnn([C@H]2CCN(C(=O)Nc3ccccc3S[C@H](Cl)C(F)(F)F)C2)c1	810154189	LBFNUJCYJOHFRR-WFASDCNBSA-N	418.872	4.890	50	20	HJGD	
C=CCC(C)(C)CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	817457593	USGQYPYQXZULFC-QGOAFFKASA-N	421.932	4.743	50	20	HJGD	
Cc1noc(COC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)n1	858933485	SHFQJDSGLPUQDL-NDENLUEZSA-N	412.449	4.589	50	20	HJGD	
CCCOc1c(Br)cc(C(=O)NNc2ccc(Cl)cc2)cc1OC	865980598	CADDYSIELYYVGO-UHFFFAOYSA-N	413.699	4.657	50	20	HJGD	
CC(C)c1ccc([C@@H](NC(=O)NNc2cncc(Cl)n2)c2cccs2)cc1	916207092	UUEMMTTUWMOQKZ-GOSISDBHSA-N	401.923	4.731	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)c1	917560434	YLWAMMPODSTHMI-MHWRWJLKSA-N	421.453	4.765	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1	919811848	ZEJHNSRMHWFCCB-UHFFFAOYSA-N	413.477	4.988	50	20	HJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(OCc2cc(C)c(C(=O)O)o2)cc1	1318327090	MVQSRBCWAMJRGG-PDGQHHTCSA-N	401.418	4.964	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc2nnc(C(F)F)n2c1	1333784917	JPPFMRHLVJBRPG-UHFFFAOYSA-N	401.442	4.617	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CC(C)C)cc1)C2	1793682882	HNNVDQJYTGQTNA-WOZUAGRISA-N	404.982	4.544	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC	7109679	FBURFSZXQJNCLU-DEDYPNTBSA-N	415.493	4.965	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cccc(OCCCC#N)c2)cc1	726738113	QXULLMREWABAOV-UHFFFAOYSA-N	400.482	4.541	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2c(c1)C[C@H](C)O2	727744608	TWNMVRSUIOVNNJ-RZBIUYHXSA-N	403.265	4.871	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)CCCc1ccccc1)c1ccccc1Oc1ccccc1	727844040	BKDDAEFKPVEROZ-IBGZPJMESA-N	417.509	4.893	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cocn2)c(C)n1-c1cccc(Cl)c1Cl	730764039	NEPISYTXFPKMCL-CHHVJCJISA-N	415.280	4.612	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Br)ccc2F)c1C	732060219	DTIIUFPGKQVBFW-OQLLNIDSSA-N	404.283	4.962	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c1C	732298517	CRZQXLCBPFQUBS-SIBGDRKGSA-N	420.340	4.579	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3c(C)nn(CCCl)c3C)s2)cc1	733933374	QBABPYFFTIMOQG-CQSZACIVSA-N	416.978	4.970	50	20	HJGD	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNc5ccc(Cl)nn5)(C4)C2)C3)cc1C	735688593	BNJRRZQFQFVFRZ-TWVWUCKLSA-N	410.949	4.728	50	20	HJGD	
O=C(Cc1cccc(OCc2ccccc2Cl)c1)NNc1c(F)cccc1F	735694788	TVOOHBCOKPSYQX-UHFFFAOYSA-N	402.828	4.883	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccc2ccccc2c1	743437290	FBNCMIJHVSTPQK-NRFANRHFSA-N	408.885	4.815	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1	744491604	QWVQIHVLNTZBJT-FMNVXAMXSA-N	423.856	4.534	50	20	HJGD	
CCc1ccc(C(=O)Nc2sccc2C(=O)NNc2ccc(F)c(F)c2F)cc1	748217238	OGZLURWAXYPUKS-UHFFFAOYSA-N	419.428	4.737	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c1	748359246	DTFAUSOWZDZUBF-UHFFFAOYSA-N	402.429	4.916	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1csc(-c2ccc(Br)s2)n1	748560742	FFVUCVZAWDXHIY-UHFFFAOYSA-N	412.309	4.839	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)o1	751388034	ZYXVPTJBAZFZRL-UHFFFAOYSA-N	421.404	4.569	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OC)cc2Cl)cc1OC	753923428	INOSEBXWMFRYPT-UHFFFAOYSA-N	411.285	4.563	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccccc1OCc1ccc(F)cc1	754471723	JTBOEYWXHVHMBI-UHFFFAOYSA-N	414.440	4.619	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C)n1CC(C)C	754635596	MRRCDUCKXMDDDQ-JDPLIZEASA-N	423.532	4.844	50	20	HJGD	
O=C(CSc1cccc2cccc(Cl)c12)NNc1ccc(C(F)(F)F)nn1	755194984	VOWCPKPGYJJMCM-UHFFFAOYSA-N	412.824	4.537	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1sc(Cl)nc1Cl	755505165	BPYUEBQUWOZDLK-UHFFFAOYSA-N	406.294	4.646	50	20	HJGD	
Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CO2	762676264	ZXFKMQFJQIKHQP-AWEZNQCLSA-N	422.375	4.841	50	20	HJGD	
CCN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H](C)CS(C)(=O)=O	762966348	PCPAAGPCBRCUGQ-JTQLQIEISA-N	410.430	4.631	50	20	HJGD	
CC(C)(C)S(=O)(=O)CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762973125	BKQPWLCOOOXIIN-UHFFFAOYSA-N	410.430	4.679	50	20	HJGD	
COc1nc2ccccc2cc1/C=C(/C#N)C(=O)Nc1ccccc1Br	764107136	IJBVCKXTSGBBHW-PTNGSMBKSA-N	408.255	4.552	50	20	HJGD	
Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)[C@@H](Br)C(C)(C)C)c(Cl)c1	766748787	BKEGPGPCYQXSBA-BXUZGUMPSA-N	404.732	4.637	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Br)c1)C(=O)c1ccc2c(c1)OCO2	768269484	UDWHPDQRADISSG-XGICHPGQSA-N	422.181	4.569	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)c3csc(C(C)C)n3)s2)cc1	768774584	WZKPEPPKAYXKAU-UHFFFAOYSA-N	414.556	4.740	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)Nc1cc(Cl)ccc1SCC(F)(F)F	770039975	SSRLYAQKFSBQNZ-UHFFFAOYSA-N	412.224	4.586	50	20	HJGD	
O=C(NNc1cnccn1)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12	770086155	BOBPWWMMTUIESF-UHFFFAOYSA-N	406.833	4.619	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@H](Cn2cnc3ccccc32)C1	773107330	VEXMLJRYCQUBMA-ROUUACIJSA-N	403.617	4.989	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)c1nc(-c2ccncc2)cs1	774127959	YJNYYFKKDARCOO-GDNBJRDFSA-N	415.927	4.716	50	20	HJGD	
COc1ccc(N(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)nc1	777688081	VVIUZVGBEJYROD-UHFFFAOYSA-N	404.382	4.573	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(Cl)ccc3Br)c(C)cc2c1	778481206	AKSIRHGAKTXRCQ-UHFFFAOYSA-N	420.694	4.725	50	20	HJGD	
O=C(CC1(Cc2nc3ccccc3s2)CCCCC1)NNc1ncncc1Cl	781804966	LPOOKDUBYPBJOW-UHFFFAOYSA-N	415.950	4.766	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)cc1F	791272652	LHQCSSMOKWUQPC-UHFFFAOYSA-N	424.451	4.791	50	20	HJGD	
COCc1nc(C(=O)NNc2ccccc2OC(F)(F)F)c(-c2ccccc2)s1	799723496	KZGXHFNPNMXNQY-UHFFFAOYSA-N	423.416	4.612	50	20	HJGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	799892571	QKGQLKZNENMHSK-WTKPLQERSA-N	402.821	4.658	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(C#N)cc1C(F)(F)F)c1cccc(Br)c1	812564363	UDIAMMYMIDOXAY-SNVBAGLBSA-N	412.209	4.586	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2ccccc2COc2ccccc2)cc1C	812720908	GHCYJMZXSCHZHF-UHFFFAOYSA-N	404.466	4.508	50	20	HJGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015013	HXVVQQOJQIFURZ-MRVPVSSYSA-N	408.346	4.701	50	20	HJGD	
CCn1c(CNC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)nc2ccccc21	818931047	ZNYMMBBKPGRNPY-KGENOOAVSA-N	417.557	4.744	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ncco3)cc2C)c1C	820260376	CVKGNBQLDSOXBX-CTPANLQCSA-N	418.497	4.821	50	20	HJGD	
COC(=O)c1ccc(Cl)c(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	899889495	DJJGOGXVBISDHD-GIJQJNRQSA-N	413.905	4.747	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(C)c1OCc1ccccn1	915114065	BLVQWDMERXGGRY-FKWZNOHYSA-N	403.526	4.879	50	20	HJGD	
COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)c(-c2ccccc2)cc1OC	915270940	VTNJBPUETZKUQC-UHFFFAOYSA-N	418.493	4.517	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cccc(OCc3ccccn3)c2)c1	915938725	HVYKIJMTLBMSMT-UHFFFAOYSA-N	417.509	4.622	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)cc1Cl	916490641	IVYMIVUWVPAEPO-PACYTGELSA-N	415.921	4.910	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc2ccccc2c1	917546731	FOANWAJJFCOFFF-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc4oc(O)nc4c3)c2C)c1	919708705	VLBHGXQTMMATRP-WOJGMQOQSA-N	412.449	4.795	50	20	HJGD	
C=CCOc1c(Br)cc(C=NN(C)C(=O)OC(C)(C)C)cc1OCC	920381189	MFYWGGQEYBKMMA-UHFFFAOYSA-N	413.312	4.613	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OC)c1C	921259071	IQINGKMBWHIYHM-AWNIVKPZSA-N	421.280	4.914	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	1323882654	NEKHUALMTKXPBE-UHFFFAOYSA-N	405.401	4.601	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3csc(C)n3)cc2)CCC1	1786858825	HBYUIWAIPNCFQZ-SFHVURJKSA-N	419.978	4.536	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)CCC1	1787761774	DXLVEHFBHGLEIG-LJQANCHMSA-N	402.897	4.520	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3F)CCC2)cc1	1790488713	ILBJUGRDHNMUMJ-GOSISDBHSA-N	420.887	4.659	50	20	HJGD	
CC(C)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(F)c3s1)C2	1792881359	KUYMZWJDZSRFAF-QDMKHBRRSA-N	422.953	4.557	50	20	HJGD	
N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCCCCCCCCCl)C3)CC1	1795849341	IXBZHXGKXLXVFN-ACDBMABISA-N	422.013	4.678	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)CC1	1814699231	IXDBPEMRVLLFEV-JFIYKMOQSA-N	423.001	4.883	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](Cl)CCC)[nH]n1	1819303346	UGGFVZZQWSLQQN-JFIYKMOQSA-N	406.958	4.578	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)o2)c([N+](=O)[O-])c1	33398345	SASKHACDDQLYRZ-RAXLEYEMSA-N	407.357	4.548	50	20	HJGD	
N#C/C(=C\C1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)Nc1ccc(C(=O)O)cc1	215022453	RWYBOAZFEFAOFJ-MKMNVTDBSA-N	415.232	4.556	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@H](c1ccccc1)[C@@H]1CCCO1	726711708	IMUQKCLMYOQCOF-UONOGXRCSA-N	415.708	4.588	50	20	HJGD	
COc1cc(C2(C(=O)NNC(=O)c3c(Cl)cccc3Cl)CCCC2)ccc1C	730967849	HFHWKDABEHHGAB-UHFFFAOYSA-N	421.324	4.583	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NNc3ccc(F)cc3)s2)cc1	733851273	SLGRKDWASPZYGC-ZDUSSCGKSA-N	400.479	4.654	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cs1)C1CC1	734307322	XBNQFPABRDOKBQ-IZZDOVSWSA-N	421.309	4.511	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2ccc(C(C)C)cc2)c1C	741817839	GBUZAFYUTAPFHM-IXOWOOARSA-N	422.525	4.596	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CCN(C(C)(C)C)CC3)cc2)cc1	747040875	AYWIACGPSYUDNW-UHFFFAOYSA-N	423.557	4.644	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)ccc1OC1CCCC1	748710398	UCMLJTFQNPXCTO-UHFFFAOYSA-N	424.419	4.715	50	20	HJGD	
COCCOc1c(Cl)cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1Cl	752752769	CTQGPTGTNBSVES-JYRVWZFOSA-N	409.244	4.703	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1noc(-c2ccc(Cl)cc2)n1	753042700	YDQBTJJIGXBPKH-SECBINFHSA-N	410.236	4.570	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2cc(Br)cc3cccnc23)c1	759872157	PGJWSCABBIEKPF-PXNMLYILSA-N	423.266	4.656	50	20	HJGD	
N#C/C(=C\c1sccc1Br)C(=O)Nc1nc(-c2ccncc2)cs1	764886611	JDOUYLLKJXBNJT-YRNVUSSQSA-N	417.313	4.575	50	20	HJGD	
N#CCCCn1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c2ccccc21	768090077	HVCCODYCGUWUDD-UHFFFAOYSA-N	411.387	4.592	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cc(Br)ccc1Br	773459301	PVOQBFNVQOGCLP-UHFFFAOYSA-N	424.136	4.847	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cnn(-c4ccccc4)c3C(C)C)c(C)cc2c1	778478961	LJBMIWLIZKEWPL-UHFFFAOYSA-N	415.497	4.618	50	20	HJGD	
Cc1ccc(C(=O)NNc2ncncc2Cl)c(Sc2ccc(Cl)cc2)c1	781834091	VBXQLGGCZYOCRH-UHFFFAOYSA-N	405.310	5.000	50	20	HJGD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NNc1ccc(F)cc1F	783344663	GVTSCTCOVAMUJS-UHFFFAOYSA-N	419.497	4.780	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	792636288	WOQDIARQCJIBHR-BOPFTXTBSA-N	404.419	4.606	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1	793893664	XEIGTWLTTFRUCT-DLBZAZTESA-N	404.352	4.940	50	20	HJGD	
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	797842274	XEKOFLHPYBGYNQ-RISCZKNCSA-N	407.426	4.604	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	800683405	VCXOPDGDUCHNBX-LBPRGKRZSA-N	400.210	4.905	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1sccc1C1CC1	801503150	MRNLORPODPWKNJ-UHFFFAOYSA-N	416.138	4.907	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc(-c2noc(C(F)(F)F)n2)c1	807116966	RVZDMZBESNNSLG-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
COc1ccc(C(=O)N2CCCC2)cc1NCc1ccc(OCCCCl)cc1	811470275	WUJIEQANHAYJNN-UHFFFAOYSA-N	402.922	4.551	50	20	HJGD	
CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)CCCC[C@@H]2CCSS2)CC1	811928357	HKCIBHVCHIDSEP-VNYTWHDVSA-N	408.677	4.836	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C	818864325	WOFVKFVTPLGOGU-UHFFFAOYSA-N	419.428	4.521	50	20	HJGD	
Cc1ccc(NNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1	912596646	RATCJNCQGYFVES-SFHVURJKSA-N	408.329	4.590	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccc4c(c3)OCO4)o2)cc1	915989370	HAAHTHISUXLOSP-WQRHYEAKSA-N	415.401	4.642	50	20	HJGD	
COc1cccc([C@@H]2CCCN2CCP(=O)(c2ccccc2)c2ccccc2)c1	917085089	WUOQLWUWJMRIRQ-VWLOTQADSA-N	405.478	4.846	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCOC3=O)cc2)c(C)n1CCC(C)C	918682488	HLCYVOBONODSNF-ZHZULCJRSA-N	420.513	4.653	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cc(OC)c(OC)cc2C)c1C	921189622	MEJCOPRFQFQCDO-FYJGNVAPSA-N	423.557	4.796	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNC(=O)c1ccccc1Cl	1116908352	KTLWNBVTBPPYDQ-UHFFFAOYSA-N	424.671	4.685	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)c1cccc(OCc2ccccc2)c1	1343754858	HPKUGFDMZUPPJP-INIZCTEOSA-N	423.900	4.624	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)CCC1	1789093639	ARERLXHTKJUIKO-IBGZPJMESA-N	409.917	4.933	50	20	HJGD	
CC1=CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)CC1	1824013318	DRHOSOMWPMMOJZ-VQTJNVASSA-N	409.014	4.618	50	20	HJGD	
CC[C@H](C(=O)NNC(=S)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccccc1	727172478	GDZQUVGYOVVJOY-WFASDCNBSA-N	410.370	4.744	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccccc2)no1	728439874	QGWDPDAJVAELGQ-NVNXTCNLSA-N	400.419	4.653	50	20	HJGD	
CC[C@H](c1ccncc1)N(CC)C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	739661896	UDKUBRJOXBNNMS-GFUZLMBGSA-N	420.557	4.586	50	20	HJGD	
O=C(NN=Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc2ccccc12	741463129	ZUCZGJCUYBIZGC-UHFFFAOYSA-N	408.383	4.808	50	20	HJGD	
O=C(Nc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1)OCC(F)(F)F	742516958	SCGNAOXFUMHDSJ-UHFFFAOYSA-N	421.297	4.573	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c1	743822531	FXOBPYBJBBIPNR-GFCCVEGCSA-N	413.440	4.664	50	20	HJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1	746340588	LTXGPXUICIYGPI-GZTJUZNOSA-N	414.889	4.618	50	20	HJGD	
COC(=O)COc1c(C)cc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)cc1C	746342642	XNBNVDMKNHPMBN-MKMNVTDBSA-N	424.806	4.987	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)c3cccc4cccnc34)c2Cl)c1	747356503	RTFNBJBBVFRRHN-UHFFFAOYSA-N	417.900	4.763	50	20	HJGD	
COc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1OC1CCCC1	753401757	ZICCQIQVIVYVCE-UHFFFAOYSA-N	411.889	4.975	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2csc(CCc3ccccc3)n2)c1	753443708	PIYOZBMXMVUUKN-XDHOZWIPSA-N	404.491	4.587	50	20	HJGD	
CC[C@H](Cc1cccc(Br)c1)C(=O)NNc1nc(C(F)(F)F)cs1	755858291	QXWAEGYDKWGMHL-SNVBAGLBSA-N	422.270	4.636	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)N[C@H](c1cccc(Cl)c1)c1ccccn1	761801277	SWAOTLZGGVHKBN-GOSISDBHSA-N	406.795	4.568	50	20	HJGD	
CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762605959	PXSWJSJJOUKABA-UHFFFAOYSA-N	416.393	4.968	50	20	HJGD	
C[C@@H](CS(C)(=O)=O)N(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	762978672	OQPOBWOLEKIAPL-JTQLQIEISA-N	422.441	4.773	50	20	HJGD	
C[C@H](NC(=O)NNc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1	764377923	XAKBKFKUNZOIIG-LBPRGKRZSA-N	417.332	4.960	50	20	HJGD	
CCCCOc1ccc(C(=O)NNC(=S)Nc2ccc(OCC)cc2)c(Cl)c1	770214271	QKGDHMXHVDOGDZ-UHFFFAOYSA-N	421.950	4.549	50	20	HJGD	
Cn1cccc1[C@H]1CCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772930263	XBEMHECMXDRFKF-OAHLLOKOSA-N	423.407	4.985	50	20	HJGD	
CCc1cnccc1CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773485139	BEWCQLHPRAISEU-UHFFFAOYSA-N	409.380	4.556	50	20	HJGD	
CC(CCCC(F)(F)F)=NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1	774321445	BUKIFPOJSOOSEK-UHFFFAOYSA-N	403.404	4.829	50	20	HJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2ccc(Br)cc2)s1	775882079	LREGSNGNCKPJPV-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccc(F)cc1F	786049727	JOBDBYQBFHRWFV-AUWJEWJLSA-N	415.852	4.965	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1O	787144062	DTUWCUZMTOOVTR-PZHUPROXSA-N	421.280	4.501	50	20	HJGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)C(=O)Nc1ccc(SC(F)F)cc1	787167959	HHNQRUQBPVJNJH-FLIBITNWSA-N	408.813	4.899	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCCSc2ccccc2)c1C	790090865	PUIQNSZHHUJSEG-MKYLKIGJSA-N	411.571	4.518	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c(Br)cc1O	794884904	NPAKDTCYCSMBMZ-OVCLIPMQSA-N	409.239	4.501	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(\C#N)C(=O)c3ccc4ncccc4c3)cnc12	794965601	WMFIVTCYZYIXID-CXUHLZMHSA-N	417.266	4.743	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@@H](c1ccccc1)c1cccc(Cl)c1	806455601	UFOBPHDCCSYUDE-NRFANRHFSA-N	418.884	4.597	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	815952190	DBKHFDMYJSTNDX-UHFFFAOYSA-N	404.344	4.509	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC(F)F	917143730	PIOOATXKAPXPKS-WDZFZDKYSA-N	420.213	5.000	50	20	HJGD	
CCCOc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	917743415	YJDUSPMEVNHMRJ-PDGQHHTCSA-N	415.921	4.739	50	20	HJGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1OC)c1cccs1	918136456	UFDXZVFNHJKPSL-QGZVFWFLSA-N	409.939	4.532	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2c[nH]c3cc(Cl)ccc23)c1Cl	918709666	QGMOLUIRLQYCLZ-UHFFFAOYSA-N	417.083	4.523	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)CCCC[C@H]1CCSS1	921045137	QNZQHZPNHCKCLX-CVEARBPZSA-N	402.626	4.606	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)c1	932444735	LXPNQYLUOQHVIQ-UHFFFAOYSA-N	400.482	4.595	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nccc4occc34)cc2)CCC1	1788341336	JFQQUUMMOMSBFW-KRWDZBQOSA-N	411.889	4.593	50	20	HJGD	
COc1cccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)c1	1790271798	FBDHADKFRIUNGA-UHFFFAOYSA-N	414.933	4.708	50	20	HJGD	
O=C(CSc1ccccc1)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791602908	OAIDAQKVBOSJFV-UHFFFAOYSA-N	423.365	4.717	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCSC3)cc2)CCC1	1792285705	LIXZQGGSOQJECF-YJBOKZPZSA-N	408.995	4.671	50	20	HJGD	
Cc1cccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824015061	NVIJXICEWABFHC-LJQANCHMSA-N	422.972	4.632	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c1C	210665632	ZZKZGCMPICYTRX-ZDLGFXPLSA-N	424.888	4.869	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	727741246	KXBXLNIXCXVHOL-RTBURBONSA-N	419.550	4.516	50	20	HJGD	
CN(C(=O)c1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1)c1ccccc1	729310517	MJLNTMZPPIGTDQ-UHFFFAOYSA-N	413.399	4.739	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nnsc2Cl)c(C)n1C1CCCCC1	729513479	SEQHKDLUQQBUPT-OQLLNIDSSA-N	404.923	4.765	50	20	HJGD	
C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCP(=O)(c1ccccc1)c1ccccc1	732209697	NMMOBVWHTRRPHO-DRLORSAXSA-N	419.505	4.851	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1ccccc1	732713817	LJNMDXJMJJPRPH-MPMPPSQCSA-N	421.298	4.624	50	20	HJGD	
Cc1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)n[nH]1	733285944	LVOAUZCVKPCODD-FYJGNVAPSA-N	409.493	4.502	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1csc2ccccc12	734258755	MKQAKOXJPWWIHN-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
O=S(=O)(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(CCCCl)cc1	743265285	JJSDYHVVZBQRHR-UHFFFAOYSA-N	424.353	4.557	50	20	HJGD	
CN(C)c1cccc([C@H]2CCCN2CCP(=O)(c2ccccc2)c2ccccc2)c1	744407243	OTULVDBIGQVDLI-AREMUKBSSA-N	418.521	4.904	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1	745838056	GAGRWTKEZFUKAM-KRWDZBQOSA-N	424.328	4.733	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(Cl)cc(Br)c1	748066327	RHMQVSDJFMRXCX-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	748149353	VWANSBKTUOTHRS-VBKFSLOCSA-N	401.378	4.638	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c1	748362910	ZRLWFAZMVNYCEH-UHFFFAOYSA-N	406.269	4.934	50	20	HJGD	
C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNc1cc(Cl)ccc1Cl	752810637	DCAAGBYQPQVHRE-QMMMGPOBSA-N	421.111	4.562	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)Cc2cc3c(ccc4ccccc43)o2)c1C	753788965	FAOJATLJXCCGMN-UHFFFAOYSA-N	423.476	4.741	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cnn(C(C)C)c1-c1ccccc1	754206362	DXEMGFQBCIQOSQ-UHFFFAOYSA-N	421.570	4.886	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)sc1-c1cccc(Cl)c1	755191485	GWBRKRZSHZZKRG-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1C	762428339	WXJNYQIRKYIAJQ-WOJGMQOQSA-N	424.501	4.560	50	20	HJGD	
O=C1OCc2ccc(S(=O)(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)cc21	762455565	BDBYQZGYCJVRHU-UHFFFAOYSA-N	415.361	4.815	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)c1C	767899931	OFPNFRJPSOARHC-DHDCSXOGSA-N	423.469	4.861	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3nccn3C)C2)c(C)n1C1CCCCC1	768138000	FAYDCWFLAXPCBX-AREJXAQWSA-N	419.573	4.657	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2ccnc(Oc3ccccc3Br)c2)c1	770039168	MSUPZNZAUYRAOO-UHFFFAOYSA-N	424.258	4.657	50	20	HJGD	
Cc1cc(C(=O)NNc2ccnc(Br)c2)c(C)n1[C@H](C)c1ccccc1	771547280	NLIWQWZWBNADAD-CQSZACIVSA-N	413.319	4.629	50	20	HJGD	
CCc1nc2ccccc2n1C1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1	772380230	XCASRQMSEBLVBQ-SRZZPIQSSA-N	401.470	4.708	50	20	HJGD	
CC(C)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773251031	IAZJYOSTPXJQPN-CYBMUJFWSA-N	416.412	4.556	50	20	HJGD	
O=C(NN=Cc1ccc(F)nc1)c1cc(-c2ccccc2Cl)nc2ccccc12	777421678	ZLQLJOYBDZWWEP-UHFFFAOYSA-N	404.832	4.853	50	20	HJGD	
CSc1cc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)ccn1	782989138	YRJPFUBQLHEPCP-UHFFFAOYSA-N	420.450	4.939	50	20	HJGD	
N#Cc1cccc(-c2cc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)on2)c1	789868436	ZMETWEUAIJPCMJ-UHFFFAOYSA-N	407.644	4.930	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(F)cc([N+](=O)[O-])c1Br	791733476	UNZHULDZXHSVFY-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)NNc2nc3ccccn3n2)cc1	792333764	OCYXDELTWFKVKX-OAHLLOKOSA-N	404.499	4.731	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCC[C@@H]1c1cc[nH]n1	796031848	DVJOCTVXTUQOTE-CQSZACIVSA-N	417.425	4.983	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(-c3cnn(C)c3)s2)c(C)n1CC(F)(F)F	800791916	XMXSEOITNARKJN-AUWJEWJLSA-N	418.444	4.919	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	814620454	RTZRJNFOBSCBIK-UHFFFAOYSA-N	416.268	4.789	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(C)n1C[C@H]1CCCO1	844145616	BDOGWKCJBJANTD-FMYMSCKOSA-N	421.516	4.694	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2cc3cccc(C)c3nc2Cl)cc1OC	916350388	HTYZHTFSZJZWAJ-UHFFFAOYSA-N	411.889	4.758	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2[N+](=O)[O-])c(C)n1C1CCCCC1	916422705	KBGGOXSFVQDUJX-MOSHPQCFSA-N	406.486	4.742	50	20	HJGD	
N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2cc(F)ccc12	917621842	YNLMASFHJHHUGJ-GXDHUFHOSA-N	400.369	4.796	50	20	HJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccccc2Br)cc1	920069315	XSTKCSWRGNSORG-GDNBJRDFSA-N	407.271	4.693	50	20	HJGD	
CCCCNC(=O)NNC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1	921165872	BXXVASSTFAMYNN-UHFFFAOYSA-N	415.490	4.608	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(\C#N)S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cn1	1326874749	WSFOQFCYNIDKQA-CAOOACKPSA-N	418.305	4.732	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)C3CC(C)(C)C3)CCC2)cc1	1786072416	UTMOJYGBCHMREA-CQSZACIVSA-N	421.379	4.588	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)Cc3ccsc3)cc2)CCC1	1788232377	SJTHBKLQPCBQSB-UHFFFAOYSA-N	404.963	4.690	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H]3C)cc2)CCC1	1789207061	VOCZGSLJXDLMCJ-DAYGRLMNSA-N	421.379	4.588	50	20	HJGD	
C[Si](C)(C)OCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1	1789648146	RIRMSESBOXIDAT-UHFFFAOYSA-N	420.969	4.532	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1	1789680322	FBLZVQULZANWFF-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)n3cccc3)cc2)CCC1	1791783921	BEHBDTAIOXRDHJ-LPHOPBHVSA-N	401.938	4.591	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830348135	ZNHNYOUUSVEDED-LBNTZDJNSA-N	409.014	4.760	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C(C)=O)c2)c1C	7918894	BVBOMOWOEWEWTF-FYJGNVAPSA-N	413.477	4.851	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)NC1CCCCC1	195674290	NZMHSTAAAHJOGJ-UHFFFAOYSA-N	420.435	4.726	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)c1C	207607840	OWYWZSFNBHGSCA-AMUNLKFJSA-N	421.541	4.927	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1	728613622	BGOBTRVGKYHLRE-UHFFFAOYSA-N	416.506	4.599	50	20	HJGD	
Cc1cccn2cc(CNC(=O)/C(C#N)=C/c3cc(C)n(C4CCCCC4)c3C)nc12	732092610	KMNADWYQFSFRBK-FYJGNVAPSA-N	415.541	4.790	50	20	HJGD	
O=C(NNc1cnccn1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1	734243837	ANPIFEXLSYQKOG-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc3ccccc3n2C)c1C	736218197	IOESRCNJOJSMDK-PNWWAVQQSA-N	403.530	4.576	50	20	HJGD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)Oc1ccc([N+](=O)[O-])cc1Br	739310074	ADNPBFLMNMLENW-UHFFFAOYSA-N	409.623	4.640	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)ccc1OC(C)C	741620913	XWIJOKIGCZPAEH-VZIOXZNFSA-N	421.541	4.925	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2	748562522	SFENVCDQRULUAC-UHFFFAOYSA-N	409.486	4.694	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(C)ccc1Br	753170849	WTPHTLURNMUZNS-UHFFFAOYSA-N	412.125	4.839	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)C(=O)c1ccc(Br)s1	755701816	XJNDFELKSDNOCU-JXMROGBWSA-N	402.248	4.830	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ncco3)ccc2C)c1C	759849689	QDVKCHAISONSOE-RYFGYPJOSA-N	418.497	4.821	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)c(C)cc1Br	768406595	JTHWDNIKOCZUFZ-UHFFFAOYSA-N	421.682	4.526	50	20	HJGD	
CCOc1cc(C(=O)NN=C(C)c2csc(C(C)C)n2)cc(OCC)c1OCC	768763811	MMGSEDHDQRTNEK-UHFFFAOYSA-N	419.547	4.617	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1ncnc2ccsc12	770025390	BRNBQUSTXMARMS-UHFFFAOYSA-N	409.540	4.539	50	20	HJGD	
O=S(=O)(NCC[C@H](O)c1ccccc1)c1cccc(S(F)(F)(F)(F)F)c1	777981153	HQSNCMMWRLPQAX-HNNXBMFYSA-N	417.421	4.746	50	20	HJGD	
CC(C)(C)Oc1ccccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782821344	MNLZVQCEDWXDRU-UHFFFAOYSA-N	403.482	4.672	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(NC(=O)NCC)ccc2C)c1C	785992886	LJEWVIHWJGNBCG-DEDYPNTBSA-N	421.545	4.901	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ncnc3ccsc23)c(OC2CCCC2)c1	790786483	AKFZOUIFKUAKFE-UHFFFAOYSA-N	412.515	4.558	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(F)(F)F)s2)cn1	800791253	JWFFEPVPUCBCPZ-XYOKQWHBSA-N	402.401	4.713	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(C3CCOCC3)cs2)c(C)n1CC(C)C	804820800	PSJOHXWNXWSEOA-VXLYETTFSA-N	412.559	4.657	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1ccccc1OC1CC1	806827201	MIKLRFKXKRQKMR-UHFFFAOYSA-N	415.209	4.766	50	20	HJGD	
C[C@H]1CC(=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC[C@H]1C(=O)O	814727710	VKVSDBLNXNTSON-VBKZILBWSA-N	414.889	4.526	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	915847233	ORHADDDESXTNOV-JXAWBTAJSA-N	420.469	4.529	50	20	HJGD	
CCNC(=O)c1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	916081014	RLMZVQSJHIZFGL-LPYMAVHISA-N	420.557	4.755	50	20	HJGD	
COc1ccc(OC)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)n2)c1	916650424	NTNMFMRPNBEYPZ-ZROIWOOFSA-N	409.442	4.512	50	20	HJGD	
CC(C)CC[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1	918230636	LTAFOPWDCLISPK-LJQANCHMSA-N	412.921	4.943	50	20	HJGD	
C[S@](=O)c1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	1255266622	CHDCDDOIJZPZKD-QHCPKHFHSA-N	421.434	4.882	50	20	HJGD	
CC(C)[C@@H](C#N)C=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	1322871948	KKHDIWDNNDYQPH-FQEVSTJZSA-N	410.477	4.512	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1	1787272883	GXPZBITVWBFZOQ-CYBMUJFWSA-N	421.360	4.527	50	20	HJGD	
Cc1cc2[nH]c(C(=O)NC3(c4ccc(NC(=O)[C@@H](F)Cl)cc4)CCC3)cc2s1	1788588896	NWPQWXUOUFVHIV-QGZVFWFLSA-N	419.909	4.820	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3F)cc2)CCC1	1790328947	NNCCEUQBZMLNRH-MRXNPFEDSA-N	406.860	4.730	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)C3CC(C)(C)C3)CCC2)cc1	1791363884	WWXMVNHYUQPOKD-KRWDZBQOSA-N	421.379	4.730	50	20	HJGD	
CC1(C)CC(C(=O)Nc2ccc(C3(NC(=O)[C@@](C)(Cl)CCl)CCC3)cc2)C1	1791649684	HCJVPSIWNWTZHM-FQEVSTJZSA-N	411.373	4.793	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cs2)CC1	1824672423	KJPAVCFPUQFHQY-ZWKOTPCHSA-N	411.011	4.697	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1	1830314386	XVWJCVGKGFGWJZ-VQTJNVASSA-N	416.949	4.684	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1	6967476	KDTXMYSJPIUXFP-HXUWFJFHSA-N	407.564	4.846	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cc(C(C)C)nc2ccccc12	16136052	KYTIMYFUMMBDFZ-UHFFFAOYSA-N	406.555	4.860	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCc1ccc(Cl)cc1	40869104	LMWSWJNEMGNZGO-WQRHYEAKSA-N	422.868	4.744	50	20	HJGD	
O=C(NCCCc1cccc(C(F)(F)F)c1)NNc1ccc(OC(F)F)cc1	726708912	RPYLIPAPLBMUBP-UHFFFAOYSA-N	403.351	4.566	50	20	HJGD	
CC(=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1sc(C)nc1C	726738610	YUCKCNAGJKVLIG-UHFFFAOYSA-N	401.495	4.524	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nccn2CC(F)(F)F)c(C)n1CCC(C)C	727769693	IOEDWDPOVWPWDI-VCHYOVAHSA-N	422.451	4.560	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)c1cc(F)c(Cl)cc1Cl	727843157	DMCZBIVFQCVVDL-GFCCVEGCSA-N	412.292	4.547	50	20	HJGD	
Cc1nn(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1C	730201658	PWXNRXQJLZZFNP-ZDLGFXPLSA-N	407.905	4.644	50	20	HJGD	
CCc1ccc(C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)s1	731149124	JTJWHGBKGUTNAP-UHFFFAOYSA-N	410.568	4.774	50	20	HJGD	
Cc1nc2c(s1)[C@@H](N(C)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)CCC2	732033067	AMTXFSNDLBGGMY-MRCZTLKWSA-N	410.587	4.969	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cc(C(F)(F)F)ccc2F)c1C	733206258	DZVLMOKKOIEZLE-QPEQYQDCSA-N	408.351	4.756	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1	734304414	JBFGDRYOFXAPSN-LDADJPATSA-N	403.463	4.855	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc(NCc2ccccc2)nc2ccccc12	735858197	IMAUEFVDPHVFBV-UHFFFAOYSA-N	413.437	4.512	50	20	HJGD	
C[C@H](SCC(=O)NNC(=O)c1ccccc1Cl)c1ccc(Cl)c(Cl)c1	742455778	UVINHTMQPDMTKM-JTQLQIEISA-N	417.745	4.902	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(O)c3)cs2)c1C	743465849	IMHNSUCLFSOIDR-VCHYOVAHSA-N	406.511	4.890	50	20	HJGD	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)NNC(=O)c2cccc(Cl)c2)cc1	743641215	HWQCSNHLBWMXFK-OAHLLOKOSA-N	423.900	4.721	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)[C@H](Sc1ccc(F)cc1F)c1ccccc1	743815609	GIDMQCSAMIRWQT-GOSISDBHSA-N	405.857	4.990	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C(N)=O)c(C)n1C1CCCCC1	744375727	PLHWXNUFAHIMLD-SFQUDFHCSA-N	424.932	4.908	50	20	HJGD	
COCCn1c(C)c(C)c2cc(C(=O)NNc3ccc(C(F)(F)F)cc3)ccc21	747589418	FJZJAMARNWSXPQ-UHFFFAOYSA-N	405.420	4.680	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)c1	748040984	ITIHIPSNJYVNHG-UHFFFAOYSA-N	410.260	4.853	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1csc(-c2ccc(Cl)cc2)n1	748710488	BMRYXTDFLSCRDM-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)/C(=C\c1ccc(F)cc1)c1cccs1	749466970	DCIRXSAFJDWZEA-ATVHPVEESA-N	406.438	4.635	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)CCSc1ccnc2cc(Cl)ccc12	751617022	JMJZLUYWNGTARJ-UHFFFAOYSA-N	414.918	4.532	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(C)=O)ccc2Cl)c1C	762343699	SSWFDHJCZIXEEO-GPMKDSKKSA-N	413.905	4.714	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(C3CCC3)cs2)c(C)n1C[C@H]1CCCO1	767105341	DXCPQZHFFBESPL-SZVPOVDMSA-N	410.543	4.554	50	20	HJGD	
CC(C)S(=O)(=O)c1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	769722811	GEKQHJRHWJLQMR-UHFFFAOYSA-N	421.733	4.586	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNc1ccc(Br)c(F)c1	771679217	UPCYGJQNFALJSI-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c3nnc(C)s3)c2C)cc1	782347098	HNVFKSKOLALKSX-ZVCOJXFSSA-N	406.511	4.774	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C	788188395	IWXFVJFIFAXHMG-UHFFFAOYSA-N	402.857	4.554	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	793711197	XXZZXMDGSPEGSE-UHFFFAOYSA-N	420.853	4.661	50	20	HJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	794931359	LWCBITQGRGJDIW-ZSOIEALJSA-N	402.422	4.862	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)C1CCOCC1	794953913	PTYUPSDPSCNPIG-CPNJWEJPSA-N	403.507	4.563	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cnnn1-c1c(Cl)cccc1Cl	795190771	ASEDHKSTFMCGFD-UHFFFAOYSA-N	417.083	4.638	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2n[nH]c(C3CC3)c2C#N)c(C)n1C1CCCCC1	807701725	PKLFWTLQNHLCHP-WQRHYEAKSA-N	402.502	4.628	50	20	HJGD	
N#C/C(=C/c1cc(Br)cc(Br)c1)c1ccc([N+](=O)[O-])cn1	812245319	QPPHFDSCBDPMJF-KMKOMSMNSA-N	409.037	4.579	50	20	HJGD	
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NNc1c(C)cccc1C(C)C	812928201	NCLLLYYDLDPPBA-UHFFFAOYSA-N	410.518	4.512	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cc(F)ccc1Cl	816640950	CHMFIZBKALOUNV-UHFFFAOYSA-N	410.758	4.712	50	20	HJGD	
CSc1ccc(C)c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1	874436205	UJJQGGJXKQUMRA-UHFFFAOYSA-N	424.497	4.510	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)c1ccc(F)c(F)c1	914517461	USPPHWVCEYJNDP-BFERYNQYSA-N	401.457	4.551	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)c3nccs3)c2C)cc1	915154828	VXEMKUBOMHSZCU-QGOAFFKASA-N	406.511	4.519	50	20	HJGD	
Cc1cc(Cl)ccc1OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	916855084	NSMKIOIBTHXVGG-AQTBWJFISA-N	416.868	4.938	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nc3sccn23)c1	917031662	BFHDDMBMGXBHGZ-VBKFSLOCSA-N	400.463	4.617	50	20	HJGD	
Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C(\C#N)C(=O)Nc1ccccc1	917145175	NKQDKVBGNGNKMH-FOWTUZBSSA-N	421.298	4.797	50	20	HJGD	
CN(Cc1ccsc1)C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918306432	WVHXQGLHCVIGRB-OAHLLOKOSA-N	422.881	4.565	50	20	HJGD	
Cc1ccccc1COc1ccccc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	918595624	WCBRQJLQXHHAQG-UHFFFAOYSA-N	411.845	4.893	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCCO2)C(=O)c1ccc(F)cc1	921266574	ZEJOFZFLMGUNCH-ZSOIEALJSA-N	402.219	4.539	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNC(=O)c1ccccc1Cl	1256434236	KAILEGIMTTZLLX-UHFFFAOYSA-N	424.671	4.685	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2nc(-c3ccccc3)no2)c1	1326129828	PDMJOBCERPVZRE-UHFFFAOYSA-N	407.861	4.554	50	20	HJGD	
Cc1cccc(CC(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)c1	1787759427	QXCNHHGBIZFZNW-UHFFFAOYSA-N	424.617	4.523	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)cn1	1788579979	IZEXVDIGYRTAMR-SFHVURJKSA-N	417.912	4.661	50	20	HJGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788588010	VBPPHVHTVFZPEG-IFXJQAMLSA-N	420.887	4.673	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)cccc2C)[nH]n1	1815321749	GLOKBKFZNWZACC-AEFFLSMTSA-N	416.953	4.740	50	20	HJGD	
CCCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](Cl)CC)n[nH]2)cc1	1820858147	KIRXTFMUYSONOW-PKOBYXMFSA-N	416.953	4.686	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(COc2ccccc2)cc1	16782545	BPCBBNNTFUMXJZ-UHFFFAOYSA-N	419.550	4.768	50	20	HJGD	
CCCCNc1nnc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)s1	102067543	KRIOWIKCFBBKTI-SPSOFYIISA-N	417.585	4.753	50	20	HJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1OC	206994732	YHMQQSOGPDWICE-PTNGSMBKSA-N	402.372	4.824	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2ccc(OC(F)(F)F)cc2[nH]1	303220127	UQONXKCPAZFVQR-UHFFFAOYSA-N	403.282	4.842	50	20	HJGD	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	726933380	KPTWFJUAPWYACS-QGOAFFKASA-N	415.884	4.971	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CCSC)cc2)c1C	727670364	UDZGSFKCZIBZRF-VYVDHXHBSA-N	411.571	4.764	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNc3ccc(Br)cc3)c2)cc1	728601683	UFLYMZWHAVQGGK-UHFFFAOYSA-N	408.255	4.870	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)cc1C	730595871	HBMKAIYITAQECO-ZDUSSCGKSA-N	410.370	4.807	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1ccc2ncsc2c1	731477734	NKOIEZFXYDYPML-UHFFFAOYSA-N	416.222	4.835	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)N(CC(F)(F)F)C1CC1	732715270	PYYJFPZTZHDZLQ-BOPFTXTBSA-N	418.390	4.865	50	20	HJGD	
O=C(CSc1cccc2cccc(Cl)c12)NNc1ccc(Br)nc1	732834463	LOZYEVOGONKZAV-UHFFFAOYSA-N	422.735	4.886	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccc(F)cc3F)c2)cc1	733362957	BVYQHLGJRSRLQL-UHFFFAOYSA-N	424.447	4.822	50	20	HJGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNc1ccc(Br)cc1Cl	733807638	IJEPUCQNCZSQMK-UHFFFAOYSA-N	401.663	4.542	50	20	HJGD	
C[C@@H]1CCCC[C@H]1N1CCC(=NNC(=O)c2ccc(COc3ccccc3)o2)CC1	733907665	SABADAVENFPXQH-XMSQKQJNSA-N	409.530	4.619	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)C(C)C)ccc1N[C@H](C)c1cc(Cl)ccc1Cl	741285258	YPFVRFYZBNGZCQ-CYBMUJFWSA-N	408.329	4.892	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2coc(-c3ccccc3)n2)c(C)n1CC(C)C	741617281	VNVZOIYPVVCIGS-SRZZPIQSSA-N	402.498	4.639	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1C(F)(F)F	746895147	BJUNZWOQBBNDAV-SNVBAGLBSA-N	401.310	4.843	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	747579789	IKPKDLUNWMTKSV-UHFFFAOYSA-N	410.739	4.572	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccc(Oc2cccnc2)cc1	748188858	XVTJCWULPMEPHI-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(Sc3ccccc3C#N)cc2)cccc1[N+](=O)[O-]	748673203	BNGQMOOYGJBFRP-UHFFFAOYSA-N	404.451	4.683	50	20	HJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1	750044495	YCNVNLMHPFRIOC-ZVMFBBOGSA-N	404.253	4.840	50	20	HJGD	
CC[C@H]1CC(=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CCO1	756821560	VZUBBGIXMSKQRN-SFHVURJKSA-N	408.527	4.530	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1	757634237	INYCEOHUJCMKPZ-XSFVSMFZSA-N	410.477	4.546	50	20	HJGD	
CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762603495	FFYCXGXNMVBWEZ-UHFFFAOYSA-N	416.393	4.968	50	20	HJGD	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	768249956	HELPZLFBHUGGJE-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	772891885	VIIYHHYTXNCTAT-UHFFFAOYSA-N	418.284	4.851	50	20	HJGD	
Cc1nc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c(-c2ccccc2)s1	778698245	JHYINZSDSCBBMX-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H]2c2cccnc2)c(C)n1-c1ccccc1F	783671045	CFHPSWHEIYECKA-CVGPFBNFSA-N	414.484	4.899	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1	786043896	BIOIABRDZWKJAJ-HYARGMPZSA-N	421.522	4.626	50	20	HJGD	
CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	788915964	NNCSCHQSHNGTSJ-UHFFFAOYSA-N	422.485	4.841	50	20	HJGD	
CC(C)(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	791000834	QRKWIXBOLOKBQC-CYBMUJFWSA-N	416.412	4.556	50	20	HJGD	
Cn1[nH]c(-c2ccccc2)nc1=NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	795733664	USKQWSZJARGCGL-UHFFFAOYSA-N	404.364	4.814	50	20	HJGD	
Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)/C(C#N)=C3/Nc4ccccc4S3)n2)cc1	799336398	MJNPZACPFJOTDF-LKCUONQHSA-N	419.535	4.783	50	20	HJGD	
O=C(Nc1ccc(-c2ccccn2)cc1)C(=O)NN(c1ccccc1)c1ccccc1	810390313	FYGCHJQIFMBJHW-UHFFFAOYSA-N	408.461	4.557	50	20	HJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ncnc(Cl)c1C(C)C	816486102	OIQOJHZMOSMLDO-UHFFFAOYSA-N	414.815	4.594	50	20	HJGD	
Cc1ccc(NC(=O)NC(=O)[C@@H](C)OC(=O)CCCC[C@@H]2CCSS2)c(C)c1	861788050	YVEJUNPVGVFJGN-HZPDHXFCSA-N	424.588	4.597	50	20	HJGD	
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)NN(Cc1ccccc1)c1ccccc1	915341009	KINWYJAQWGAKRD-UHFFFAOYSA-N	414.509	4.666	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)Nc1nccs1	915851737	SEPCCBKGFBVEKP-UKTHLTGXSA-N	410.386	4.528	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1	915856942	FSQSFIDGKHMTHF-YBEGLDIGSA-N	421.844	4.596	50	20	HJGD	
O=C(NN=Cc1ccc(F)c(F)c1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	916287418	KWQPAKFDZQWMMU-UHFFFAOYSA-N	422.460	4.897	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cn1)c1ccccc1	917215889	JTCXDIQAKHBQTF-ZDUSSCGKSA-N	412.833	4.540	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H](CCc1ccccc1)c1ccccc1	918231792	SKZBQERUCWJAKS-QHCPKHFHSA-N	424.504	4.553	50	20	HJGD	
Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(CCl)cc2)cs1	1119669541	PQXWSLZJDCWARK-UHFFFAOYSA-N	404.944	4.609	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3ccc(C(C)(C)C)nn3)cc2)n1	1318693422	HGPTZUIZFIVQNL-UHFFFAOYSA-N	413.572	4.588	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NN=CC(c2ccccc2)c2ccccc2)CC1	1322954959	SRQGGYQZFKFFSP-UHFFFAOYSA-N	421.541	4.568	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cc2cc(F)ccc2[nH]1	1788585307	YXZSEPUQRQDRDZ-SFHVURJKSA-N	417.843	4.589	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)cc1	1789649740	MHCVVUHUFARCLV-UHFFFAOYSA-N	410.590	4.594	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cn3)CCC2)cc1	1790487531	ZWOQCEUXLYEGQQ-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
O=C(/C=C/C1CCCC1)Nc1ccc(C2(NC(=O)CCBr)CCC2)cc1	1790514713	CPXGYCZYPRCMGX-IZZDOVSWSA-N	419.363	4.652	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)[nH]n1	1820860321	KQVYCFXPRZGCFV-YOEHRIQHSA-N	423.344	4.695	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cs2)CC1	1824608912	DJIGXVDTYSJAAV-ZWKOTPCHSA-N	411.011	4.697	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc2cc(OC)ccc2c1	6279674	DHHDTOKZYYBDOG-YBFXNURJSA-N	402.450	4.760	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)n1CCC(C)C	16966166	LEYQVQLTUNZSGL-FYJGNVAPSA-N	418.541	4.589	50	20	HJGD	
O=C(Cc1ccsc1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	23722620	AGJKITYJATYMDQ-UHFFFAOYSA-N	416.955	4.698	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(SC)cc2)c1C	27165640	VSLXRRYDYUTVMM-VJNOGQACSA-N	411.571	4.819	50	20	HJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1OC	44028614	FWJQJWLAFDXNMZ-RVDMUPIBSA-N	413.271	4.568	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccc(C)s3)n[nH]2)c1C	97552528	BETUEWGSIQZXFE-BBSXFRJVSA-N	423.542	4.618	50	20	HJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	212641005	CZSVWLZUIHJZOW-WXYRWYTRSA-N	403.463	4.713	50	20	HJGD	
CCOc1cc(C=NNC(=O)c2c(Cl)cccc2Cl)ccc1OC(F)F	727778809	HHLGYYXIRWGNMH-UHFFFAOYSA-N	403.212	4.757	50	20	HJGD	
O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1c(Cl)cccc1Cl	727794583	ONJXVXLBXQIUQA-UHFFFAOYSA-N	413.260	4.897	50	20	HJGD	
N#C/C(=C\c1nc(-c2ccccc2)cs1)C(=O)Nc1nc(-c2ccncc2)cs1	727973775	BDIFCVMQKQKMLM-MHWRWJLKSA-N	415.503	4.874	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cc3ccccc3s2)c1C	730505336	CRHUCVUSGYQWFQ-DEFALTHMSA-N	407.539	4.750	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3cnn(C(C)C)c3)c2C)cc1	732747514	CLIOFIVEASIKOH-OZNZCJATSA-N	415.541	4.964	50	20	HJGD	
O=C(NN=C1CCCc2nc(-c3ccccc3F)sc21)c1ccc(O)c(Cl)c1	734093436	GNVUSHSPJVLOIC-UHFFFAOYSA-N	415.877	4.779	50	20	HJGD	
O=C(/C=C\c1ccc2ccccc2n1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743827242	VITIPOJGVSCVKM-MSUUIHNZSA-N	408.461	4.768	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc2noc(-c3ccc(F)cc3)c2c1	747592026	JBSKZGOKRUXYHY-UHFFFAOYSA-N	401.319	4.808	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cc(F)cc2c1OCOC2	748668274	YNMSCMYBWGENJS-UHFFFAOYSA-N	400.475	4.571	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(C(=O)c2cc[nH]c2)cc1	748691762	ZJLOQFIDIUKUKB-UHFFFAOYSA-N	408.672	4.963	50	20	HJGD	
CC(C)n1nc(C(=O)NN=C2C[C@H](C)C[C@@H](c3ccccc3)C2)c2ccccc2c1=O	749854374	NVKDPKUDGJUAEQ-IEBWSBKVSA-N	416.525	4.667	50	20	HJGD	
N#C/C=C(\c1ccccc1)N1CCC(C(=O)Nc2ccccc2Br)CC1	750795942	NCRUAOIQOFBKQR-KEBDBYFISA-N	410.315	4.664	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1ccc(NC(=O)C2CC2)cc1	752461949	DJPURYGJNUTIDH-UHFFFAOYSA-N	417.307	4.509	50	20	HJGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)NNC(=O)c1cccc2ncccc12	756311158	XFTKPTXIVNWZDF-UHFFFAOYSA-N	408.527	4.900	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(Br)c2)cc1	768268237	FNAZEGHGNCNYDJ-WQLSENKSSA-N	423.213	4.605	50	20	HJGD	
CN1C(=O)CCc2cc(/C=C(/C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21	773906760	GCNQBJLWNGDASS-SILNSSARSA-N	423.472	4.934	50	20	HJGD	
O=S(=O)(Nc1ccc(C2CC2)nn1)c1ccc(S(F)(F)(F)(F)F)cc1	775144239	ANEURVKEMCBDPD-UHFFFAOYSA-N	401.382	4.812	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccc(Br)cc1C(F)(F)F	776476914	PNENVEILZUWOED-UHFFFAOYSA-N	416.222	4.835	50	20	HJGD	
CCOc1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1	777668882	BAJLKILSMGEKPX-UHFFFAOYSA-N	404.382	4.939	50	20	HJGD	
COCc1ccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	777881468	NGRDMIYNTJQBNF-UHFFFAOYSA-N	417.421	4.969	50	20	HJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)nn1-c1cccc(C#N)c1	779705374	DTSIMNWAGPIKMO-UHFFFAOYSA-N	420.687	4.770	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNc2ccc(Cl)c(F)c2)c(C)c1	785180197	LMMSALRUJKCZMK-GFCCVEGCSA-N	409.914	4.760	50	20	HJGD	
CON(Cc1ccccc1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	785376496	SZMJKSSVXOTESU-UHFFFAOYSA-N	410.364	4.873	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(SC)cc2OC)c1C	785397765	NQKORKSFZWZCAP-BFERYNQYSA-N	413.543	4.589	50	20	HJGD	
COc1cc(NNC(=O)Nc2nnc(-c3cc4ccccc4o3)s2)ccc1Cl	788681054	GBTRKXLOMQNSEV-UHFFFAOYSA-N	415.862	4.762	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2F)C2CC2)c1C	790276486	RXDJVMXQNPEDOM-WCEBZYJUSA-N	409.505	4.550	50	20	HJGD	
O=C1CC[C@H](C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n2cccc21	790718536	SYEUHURTWPAEEQ-MLGOLLRUSA-N	402.825	4.864	50	20	HJGD	
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NNc1cc(Cl)cc(Cl)c1	792221869	QOWVQBZYKBACKH-UHFFFAOYSA-N	407.301	4.686	50	20	HJGD	
CCOc1cc(C=NNC(=O)c2cc(-c3ccccc3)on2)ccc1OCC(C)C	794779463	KOKWNFRYVCOVFT-UHFFFAOYSA-N	407.470	4.539	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1sc2cc(Cl)ccc2c1Cl	803428477	HOAMEPUJOBFQBL-UHFFFAOYSA-N	404.278	4.807	50	20	HJGD	
O=C(NN=Cc1cccc(O)c1Cl)c1cn(-c2ccccc2)nc1-c1ccccc1	814704969	SSDKDDVQRAEOIU-UHFFFAOYSA-N	416.868	4.662	50	20	HJGD	
COc1ccc(NNC(=O)c2c(Br)sc(C)c2C)c(C(F)(F)F)c1	816702704	YNJGKCNSKKRSNO-UHFFFAOYSA-N	423.254	4.912	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCCc1cnc(SC2CCCC2)nc1	816775394	SOBSKNAJJOOYPZ-KRWDZBQOSA-N	411.662	4.884	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1	913004331	XLSDFRPTVDREAP-HKWRFOASSA-N	408.461	4.946	50	20	HJGD	
CC(C)n1ncc2cc(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Cl)nc21	913617434	ADWNNHBWNYUTTB-LZYBPNLTSA-N	421.309	4.657	50	20	HJGD	
COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)c(-c2ccccc2)cc1OC	915271083	ZACQNKBMJORPAS-UHFFFAOYSA-N	424.884	4.553	50	20	HJGD	
Cc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)cc(C)c1OCc1ccccn1	915952277	VJLLVCSNLXBPOT-UHFFFAOYSA-N	407.901	4.624	50	20	HJGD	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)C(C)C	915992165	SWWCHWXKJRDMMP-VZUCSPMQSA-N	401.098	4.742	50	20	HJGD	
CCc1ccc(C(=O)NN=Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1	916329268	BLLCLZDVBUFSRI-UHFFFAOYSA-N	415.324	4.873	50	20	HJGD	
CSc1ccc(OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1	916860336	PXQYMQBJCKMLCZ-JXAWBTAJSA-N	414.490	4.698	50	20	HJGD	
COc1ccc(CCCN(C)CCP(=O)(c2ccccc2)c2ccccc2)cc1	918738467	DOAPCQIAFHWYST-UHFFFAOYSA-N	407.494	4.574	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)CCc2ncc(-c3ccccc3Br)o2)c1	919746583	ZTERVZUZJFOVLQ-UHFFFAOYSA-N	414.303	4.797	50	20	HJGD	
Cc1ncc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1	919878997	AEERQRRVHWCROY-MFOYZWKCSA-N	410.930	4.736	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccc(C(=O)O)cc1	920064828	KDLPDDMWWGROQG-XDHOZWIPSA-N	416.408	4.649	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)CCCC[C@H]1CCSS1	921045140	QNZQHZPNHCKCLX-HOTGVXAUSA-N	402.626	4.606	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccccc2Cl)cc(OC)c1OCc1ccccc1	1115816929	OQIUNHOGOHYGJY-UHFFFAOYSA-N	424.884	4.700	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3cc4c(s3)CCC4)o2)c(C)n1C[C@@H]1CCCO1	1117190542	VZEIUAAYYNFLIY-VBIXMBBUSA-N	420.538	4.948	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(OC(F)F)cc2OC(F)F)n1	1317993151	PLLARFYJNWYYRU-BJMVGYQFSA-N	416.352	4.587	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3C)C2)CC1	1805091292	FFWCIYVGSWAAFH-SFHVURJKSA-N	411.373	4.511	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](CC)c2ccccc2)[nH]n1	1820852558	CEDGWDRUIUKAMY-JENIJYKNSA-N	416.953	4.613	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(-c3ccccc3)on2)c1C	8557940	HQXLZMLMODOWNH-RYFGYPJOSA-N	419.481	4.618	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1C	10403481	YWJMKTGQYPSESB-NGWPFTMJSA-N	416.319	4.621	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2C)cc(OC)c1OCc1ccccc1	16968154	ULIXDCIDOGULEK-YBFXNURJSA-N	403.434	4.974	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H](Sc1ccccc1)c1ccccc1	728080843	QRKANPWHVPEJPO-LJQANCHMSA-N	402.479	4.713	50	20	HJGD	
C=CCOc1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1	731477338	FBJTVJFOPFZROJ-UHFFFAOYSA-N	415.209	4.790	50	20	HJGD	
C=CCOc1ccccc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	731477912	RQQFYLVHFTYNLP-UHFFFAOYSA-N	415.209	4.790	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c(C)n1C1CCCCC1	732160441	XXTDZQQLYXTWRO-DEDYPNTBSA-N	414.513	4.941	50	20	HJGD	
CCCN(Cc1ccccc1Br)C(=O)c1c(C)nn(CCCl)c1C	733918363	XDCVWBJPYBEICA-UHFFFAOYSA-N	412.759	4.554	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=C(C)c2ccc3ccccc3c2O)cc1Cl	741769319	JSCMHYJRARBHHW-UHFFFAOYSA-N	413.861	4.762	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Oc3cccnn3)c2)c1C	742195903	AOYLFALDGCXEQG-CPNJWEJPSA-N	401.470	4.643	50	20	HJGD	
CCN(C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@H](C)C(C)C	743413672	KQJOPKJXJGWYMY-BDJLRTHQSA-N	410.889	4.737	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1Br)c1ccc(Br)s1	743428679	HILFPESWUSFWEW-UHFFFAOYSA-N	422.529	4.690	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](C)c2oc3ccccc3c2C)c(Cl)c1	743558029	QMHBUZJEBGBREB-CYBMUJFWSA-N	400.866	4.800	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1C	746359808	LPEKPXKEWXKYHH-CXUHLZMHSA-N	424.492	4.946	50	20	HJGD	
C/C(=C\C(=O)NNc1ccc(Br)cc1F)c1ccccc1OC(F)F	748174043	TTZKKJLQDIKEMX-CSKARUKUSA-N	415.209	4.736	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1	751576680	ODHATAADLSDFBB-MOSHPQCFSA-N	405.473	4.568	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	755237018	USMOUIOSSTWZJE-UHFFFAOYSA-N	409.314	4.928	50	20	HJGD	
CC(C)CC1(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCCC1	755807574	MWQIAEJKWYCHGL-UHFFFAOYSA-N	407.440	4.607	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(C)noc3CC)c2C)cc1	760080486	TVIGIFMISXDCER-CPNJWEJPSA-N	418.497	4.897	50	20	HJGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccccc1Oc1ccc(F)cc1Cl	763407503	YEMTUJHQNJMWIF-UHFFFAOYSA-N	422.847	4.612	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(F)ccc12	774116899	BMMRGAIILJTEJC-JYRVWZFOSA-N	416.861	4.544	50	20	HJGD	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncc(Cl)cc1Cl	775270530	FGZJATUXMCKRDC-UHFFFAOYSA-N	415.302	4.946	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3csc(-c4ccc(F)cc4)n3)c(C)cc2c1	778481392	KWIQUGNTESOOSG-UHFFFAOYSA-N	408.458	4.571	50	20	HJGD	
O=S(=O)(N[C@H](CO)C1CCCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	782982689	ZEZYOECCNVQYJH-CQSZACIVSA-N	409.442	4.564	50	20	HJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)NCc3cccc(Cl)c3)cs2)cc1	786055520	GGIGHTHCDFCRQV-MHWRWJLKSA-N	409.898	4.695	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(-c3ccncc3)ccc2OC)cc1	787153495	DYKZMNUSTZWOGC-HINJULBWSA-N	413.477	4.550	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C	788184448	LTIDGRYZJXVFFB-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
N#C/C(=C\c1cc(Br)c(Cl)s1)C(=O)N(CC(F)(F)F)C1CC1	790219852	OVNQQVIZAKEWRQ-XVNBXDOJSA-N	413.646	4.624	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1(c2cccc(Cl)c2F)CCCC1	791177622	HKQZTIXFXWJVFP-UHFFFAOYSA-N	412.336	4.773	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(N(C)c3ccccc3)nc2)cc1	797787682	ZBKMDRKQLAXSBK-IGCAKMCNSA-N	412.493	4.642	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(-c2ccccc2)c1	807035658	SUBWKLJOQRHWTO-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)c2csc(-c3ccccc3F)n2)o1	812226782	KSJCVYHZWOHZMQ-UHFFFAOYSA-N	414.506	4.538	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2Br)nn1)c1cc(C(F)(F)F)ccn1	812248881	TXUFOCWFQMOFLX-XFFZJAGNSA-N	420.192	4.508	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cnc(C(F)(F)F)cc2C)c1C	813275338	FCHHXMJISRLMJM-RHUPODBASA-N	420.435	4.580	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OC(=O)c1ccccc1Cl	834737373	PHNDPOWUKAPDBE-VBKFSLOCSA-N	424.884	4.534	50	20	HJGD	
C[C@H](CCc1ccccc1)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	914458722	KDFCOUWJVOREEA-YYTOJMEDSA-N	423.520	4.508	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(O)cc1	916265418	JYGXVCVLFQQJLB-UHFFFAOYSA-N	416.868	4.662	50	20	HJGD	
Cc1ccc(SCC(=O)NN=Cc2c(-c3ccccc3)nc3sccn23)cc1	917028814	VEBXXEPSDIUARD-UHFFFAOYSA-N	406.536	4.614	50	20	HJGD	
Cn1ccc(NNC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)n1	1320948192	CELOITPMUCHLPD-UHFFFAOYSA-N	407.326	4.776	50	20	HJGD	
CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)cn1	1787254481	GLQUHTZPPRJPEE-UHFFFAOYSA-N	413.949	4.657	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)CCl)[C@@H]1c1cccnc1	1802901404	BTVRLSFGWUPNLK-SXLOBPIMSA-N	422.013	4.569	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OC(F)(F)F)c2)c1C	27133340	MGIUNMMYSAQFNQ-IREQLNLFSA-N	421.419	4.757	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(N4CCOCC4)cc3)n2)cc1	141607568	VGACMJQZQPTARW-RGEXLXHISA-N	403.507	4.719	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3nnc(C(C)C)o3)c2C)cc1	726994634	PYYHSZJNPCLEJB-YBFXNURJSA-N	404.470	4.559	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1c[nH]c2ccccc12	730206748	ATEMLOOFLLMPQQ-OAQYLSRUSA-N	419.481	4.602	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2cccc(OC(C)C)c2)c(C)n1C[C@@H]1CCCO1	730930837	JGSCATAHXZBLQY-AGIMELGASA-N	408.498	4.584	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2oc3ccc(OC)cc3c2C)cc1	731652670	PEMXWYCUWQTHRH-UHFFFAOYSA-N	411.527	4.724	50	20	HJGD	
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NNc1nc(-c2ccccc2)no1	732113386	SZLSSDBDQPUCKU-RMKNXTFCSA-N	408.767	4.565	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc([S@@](C)=O)c3)c2C)cc1	732123230	TVPBSJXZYRMENR-OITFCYKPSA-N	417.534	4.686	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1	741929253	IBCIAHRERXTDEN-DNQXCXABSA-N	400.522	4.744	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c[nH]cc1-c1ccc(F)cc1	743296736	FVWQLQYCLCLZQI-UHFFFAOYSA-N	408.311	4.505	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1Cl)c1cccc(Br)c1	743441937	QUZREQMBEGNKAX-UHFFFAOYSA-N	416.500	4.629	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3cc(F)c(F)c(F)c3)s2)cc1	746706526	CAIHYCXZHRFCCX-UHFFFAOYSA-N	407.417	4.691	50	20	HJGD	
Cc1ccc(C(=O)N[C@@H](CC(=O)NNc2cccc3cnccc23)c2ccccc2)cc1	748759101	JHJVLVLPBJADBN-DEOSSOPVSA-N	424.504	4.548	50	20	HJGD	
O=C(NCC1(C2CC2)CCC1)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	752421219	YGMIIBCYYZBJCM-INIZCTEOSA-N	420.884	4.541	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)Nc1cccc(CCC(F)(F)F)c1	757619484	PXIBVLXTNZFSJR-UHFFFAOYSA-N	401.388	4.801	50	20	HJGD	
CCC(CC)(CC)CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	759264319	KEUUMLCSNCKBNP-HMMYKYKNSA-N	403.530	4.703	50	20	HJGD	
Cc1cn2c(=O)c(C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)cnc2s1	762722849	JOKXZEIKBRSOKS-UHFFFAOYSA-N	411.377	4.974	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1	762975165	KBDZQGABVODAPL-UONOGXRCSA-N	402.385	4.756	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)CCCC[C@@H]3CCSS3)C2)C1	765342144	CUUHPNJMQIVAOG-UZLBHIALSA-N	414.637	4.560	50	20	HJGD	
CN1CCN(c2ccc(/C=C(\C#N)C(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1	771521585	TZLRYVYRGPGTEN-LICLKQGHSA-N	400.309	4.535	50	20	HJGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNc1ccc(Br)c(F)c1	771691102	OSESIONINCICQA-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc1	771715893	KKBKGDQVTFYTIV-WMJPKOOMSA-N	419.308	4.537	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cccnc1SCC1CCCCC1	775251128	HYOKTGVXBVJRSD-UHFFFAOYSA-N	410.465	4.925	50	20	HJGD	
CC(CCn1cccn1)=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	776757881	BEYBAJQGWDWSRS-UHFFFAOYSA-N	412.493	4.811	50	20	HJGD	
O=S(=O)(NCCOCc1ccccc1)c1cccc(S(F)(F)(F)(F)F)c1	777986543	NCHNXTKPSXBIPA-UHFFFAOYSA-N	417.421	4.839	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC(O)(C(F)F)CC1	779390646	ASJSYOMLQIVASP-LLVKDONJSA-N	418.815	4.530	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	781939594	FHHRTHRMBZQVPP-UHFFFAOYSA-N	423.744	4.948	50	20	HJGD	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NNc1ccc2ccccc2n1	782772327	CHRXOCBTXFUACM-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
CC(C)c1nc2ccc(NC(=O)C(=O)NNc3cc(Cl)ccc3Cl)cc2s1	783369687	QIDYIKPSYHQWBB-UHFFFAOYSA-N	423.325	4.808	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1	785994533	MIKSHGCGYRQJEB-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2n1CC(F)(F)F	787460033	FPPORBQGDRTWGZ-UHFFFAOYSA-N	417.309	4.859	50	20	HJGD	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NNc3cc(Cl)cc(Cl)c3)n2)n1	791733376	SBRRKZROUOCWSN-UHFFFAOYSA-N	410.692	4.601	50	20	HJGD	
Cc1ccc(-c2ncccc2NC(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)s1	792438572	VLPZXCFRCKNMGE-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(C(C)(C)C)nc2)c1C	797293399	CGQJKKCWGCSAKU-LASGFXPTSA-N	409.530	4.655	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2c(C)cccc2C)c1C	801071449	JKJLINUDJXCCMX-BKUYFWCQSA-N	407.514	4.611	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC=C(c3ccccc3)C2)c(C)n1C[C@H]1CCCO1	803678674	HDLXEZVAIZPLBO-AIAVXMCLSA-N	415.537	4.507	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(C3CCOCC3)cs2)c1C	804818794	XZWCAKVDBPXIGQ-XDHOZWIPSA-N	412.559	4.801	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccccc1OCc1ccccc1Cl	805462919	VMBOMCDDBAUPRY-UHFFFAOYSA-N	408.889	4.733	50	20	HJGD	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NNc2nccnc2C2CCC2)c1	805467227	PZNPZNDVKUAIHT-UHFFFAOYSA-N	419.872	4.818	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@H](C(=O)N2CCCC2)C1	806401694	NCBREOFUYVJECZ-GFCCVEGCSA-N	413.412	4.820	50	20	HJGD	
Cc1noc([C@H]2CCCCN2C(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)n1	807756077	KOQPGYATWUGWJJ-NNVROAHOSA-N	409.534	4.503	50	20	HJGD	
C[C@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H](O)c1ccccc1	808947681	JHAIDJTWPSYJPV-XHDPSFHLSA-N	424.391	4.521	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)Nc1cccc2ncccc12	853000230	HDFQONAAGJNBMX-GJZGRUSLSA-N	404.557	4.819	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C2CCN(C(C)C)CC2)c(C)n1C1CCCCC1	904219617	RSBFJGUBMCVMAU-CJLVFECKSA-N	410.606	4.848	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3cccnc3)c2C)cc1	912691372	DIWUVRSXIYSNOW-FYJGNVAPSA-N	401.466	4.538	50	20	HJGD	
CCCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1	915161929	YFCMMPQTHOQCHP-JPFXZVHCSA-N	407.514	4.618	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OC(F)F)c1	915842827	ALLJKWBMTIALRC-GHXNOFRVSA-N	423.213	4.605	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC(F)F	915848603	CTRVQVBZSSCNMY-JYRVWZFOSA-N	422.815	4.894	50	20	HJGD	
CSc1ccc(OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1	916860337	PXQYMQBJCKMLCZ-NBVRZTHBSA-N	414.490	4.698	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1OCc1ccccc1Cl)c1ccncc1	917528937	ITWBBCCRSQGXNS-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(-c2ccccc2)cc1OC	917619218	HXOJSXFNPOHKMZ-JCMHNJIXSA-N	412.489	4.637	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1C	919936361	LAGFFDBPMAWUOY-ISXGRJCASA-N	422.548	4.594	50	20	HJGD	
Cc1ccc(OCc2nc(C=NNC(=O)Cc3cccc4ccccc34)cs2)cc1	920375910	QLUIAQMDRBDRIQ-UHFFFAOYSA-N	415.518	4.877	50	20	HJGD	
O=C(NNc1cncc(Br)c1)/C(=C\c1ccc(F)cc1)c1cccs1	1319527646	VUGCIZCEVVXHHE-PXNMLYILSA-N	418.291	4.729	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3Br)cc2)cn1	1326879393	IWGIPZQTCSIENN-NVNXTCNLSA-N	409.243	4.822	50	20	HJGD	
C[C@@H](CBr)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1	1786065407	HAIWRNIXAAIAPX-JKSUJKDBSA-N	419.363	4.508	50	20	HJGD	
CC(C)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)sc1Cl)C2	1792884029	SSDIYQGNQHWKKI-JGPRNRPPSA-N	423.793	4.572	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccno1	1795099702	KPVCONQLPJFJCW-REPLKXPHSA-N	423.985	4.676	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)(C)C)cc1	1800495672	QRCRRUBMRFOHHK-AJYBTWMASA-N	420.981	4.523	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1	1822104149	JZLNYAWIYZFDAC-DWRORGKVSA-N	423.001	4.882	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1	1824010408	PMEBQCUTGPGYHR-INIZCTEOSA-N	420.972	4.553	50	20	HJGD	
Cc1cccc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824014216	JITYZBCBMZNIIB-FQEVSTJZSA-N	419.009	4.802	50	20	HJGD	
C[C@@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)NNc3ncccn3)c2C1	46577149	XYNMVJREMSKASA-FDCFBWIESA-N	421.504	4.905	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(C)cc2Cl)c1C	211972134	BJESZSVJNOKVDQ-WQRHYEAKSA-N	413.905	4.566	50	20	HJGD	
CCN(Cc1ccc(CN(C)C)cc1)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	727398878	IGQJZXGCRPZFAY-AFUMVMLFSA-N	420.601	4.778	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)Cc2ccccc2C)c1C	728183828	UHVOCKRJBILFAS-QMFLXTPQSA-N	407.558	4.665	50	20	HJGD	
C#Cc1cccc(N(C(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)C(C)C)c1	728247415	DDRKCPWGDPNBTQ-CSMVZQPBSA-N	403.526	4.642	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cccc3ncccc23)cc1OCc1ccccc1	730147234	POJBBQJIYRTJNP-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1cccc(OCc2cccc(Cl)c2)c1	733810391	HDOYHHGHTASTJU-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC(C)(C)c2nccs2)c(C)n1-c1ccccc1F	734803345	ADSCKDDTTZLMSQ-SFQUDFHCSA-N	408.502	4.648	50	20	HJGD	
C[C@@](O)(CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1cccs1	740434412	IUHXPEUMKDVPER-UKRRQHHQSA-N	424.897	4.997	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(/C#N)c1nnc2n1CCCCC2	740764367	SXYVTIUCOPYXRD-PDGQHHTCSA-N	406.921	4.584	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1Br)c1cc(-c2ccccc2)on1	743433646	CHOAEUYYKQOTKS-UHFFFAOYSA-N	404.651	4.521	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1cccc(Br)c1)[C@@H](CC)c1ccccc1	743688317	YWAXCRFMTNOMQC-SFHVURJKSA-N	418.335	4.667	50	20	HJGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(C)c1	743765513	UFXRADHRNTVGRN-SFHVURJKSA-N	420.340	4.667	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	743821367	MVEVARPPSGYKET-HUUCEWRRSA-N	414.745	4.768	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCN2Cc3ccccc3C2)c(C)n1C1CCCCC1	743921951	PNSJTEJXEDLIIN-BUVRLJJBSA-N	416.569	4.649	50	20	HJGD	
O=C(NNc1ccccc1)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl	745899680	UUINPSWWAIKZOQ-OAQYLSRUSA-N	409.873	4.527	50	20	HJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2ccc(F)c(F)c2F)cs1	748219830	JAYDIXOHXQQAIS-UHFFFAOYSA-N	409.458	4.918	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](CCO)c2ccccc2)c(C)n1C1CCCCC1	755854987	MPWARFYYNJCPMF-ZKFYFQMZSA-N	419.569	4.800	50	20	HJGD	
C[C@@H]1C[C@H]1c1cc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	756221386	HIXBWMNYRRJRNS-LDYMZIIASA-N	410.368	4.768	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)Nc1ccc(COC2CCCC2)cc1	756683119	FSTPXNDCKMQKAQ-UHFFFAOYSA-N	403.482	4.766	50	20	HJGD	
CCCc1c(C(=O)NNc2ncc(Cl)cc2Cl)cnn1-c1ccc(C)cc1	760518130	VAJIEEIOQXPZFG-UHFFFAOYSA-N	404.301	4.592	50	20	HJGD	
O=C(NN[C@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1ccc2ccccc2c1	762633915	KQHUOQXLUAXPPU-HSZRJFAPSA-N	420.472	4.914	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1C(C)(C)C	763289816	KJTMJXGAURQQMO-XMHGGMMESA-N	414.509	4.783	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1cccc(OCc2ccccc2)c1	764828999	JNHBKIIODLJWHU-INIZCTEOSA-N	423.900	4.624	50	20	HJGD	
CC(C)Oc1ccccc1NC(=O)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	766262236	RFKFVZPSNNOCDI-UHFFFAOYSA-N	416.692	4.516	50	20	HJGD	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)C1CCCCC1	767713403	JTKPEBIGNWZSBO-WUXMJOGZSA-N	413.109	4.974	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1csc(-c2ccc(F)cc2)n1	771688853	JWFYRQRTKLVNTJ-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(C4SCCS4)cc3)c(C)cc2c1	778482323	WVCCXVWXGGWNOR-UHFFFAOYSA-N	411.552	4.787	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1F	779800064	SJQQVPLUKOMUNZ-QPEQYQDCSA-N	400.258	4.870	50	20	HJGD	
COc1ccc(C(=O)c2ccccc2C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	781348439	HTRLTZJKPQVRES-UHFFFAOYSA-N	414.383	4.702	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCC2)cc(Br)c1OC(F)F	781556326	WUASXAXSQFFHFB-WUXMJOGZSA-N	400.219	4.725	50	20	HJGD	
O=C(NNc1ncncc1Cl)Nc1cc(Cl)ccc1SCC(F)(F)F	782047695	KQSRBKAQVTZGHP-UHFFFAOYSA-N	412.224	4.586	50	20	HJGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1	787146370	XQIKAFZWZIZICJ-KMHUVPDISA-N	402.281	4.736	50	20	HJGD	
Cc1sc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)nc1-c1ccc(Cl)cc1	787159733	MSPREXGXJSKAHH-YBEGLDIGSA-N	409.898	4.701	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2OC)c1C	789931525	DHQJOYDPZKUITC-KDVQLTRESA-N	401.894	4.520	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(Br)c(Cl)s2)n1	790101096	UNBOZKHZDKALIW-XVNBXDOJSA-N	403.710	4.861	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	790594332	FVNMFNRWTQPZCE-UHFFFAOYSA-N	414.462	4.582	50	20	HJGD	
COc1cc(NNC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)ccc1Cl	793983913	YGDWABVOXKAROI-UHFFFAOYSA-N	416.811	4.615	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1C(F)(F)F)c1cccc2ncccc12	794507525	IWIHCBGFEORCDT-UHFFFAOYSA-N	422.204	4.780	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c1C	794915516	ILQRKYQVHKYDDF-UHFFFAOYSA-N	416.506	4.743	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2c(F)ccc(Br)c2F)cc1	799891837	HBPXOWRYJINCEY-VSXLWIIGSA-N	421.241	4.520	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCOC[C@H]1c1nc2ccccc2s1	800629664	WEYBABXJLIGOBH-HOCLYGCPSA-N	408.614	4.910	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)cc2-c2cnn(C)c2)cc1Cl	801647908	RPRAARBDDSKGBO-SXGWCWSVSA-N	406.873	4.603	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1ccc(Oc2ccc(Br)cc2)c(F)c1	804769011	DUIWBFPLVKPVDG-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12	805380311	KSVNDFQYHIBODA-UHFFFAOYSA-N	423.473	4.662	50	20	HJGD	
O=C(NCC1(C(F)(F)F)CC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	807364069	ZQFNBEROOVSUBG-UHFFFAOYSA-N	412.302	4.741	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)NNc2ncncc2F)c(C(F)(F)F)c1	814625860	HKFDFWLVEMKCBP-SECBINFHSA-N	403.405	4.674	50	20	HJGD	
CC(C)(C)c1ncc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1	817014283	ZZOWDHJUTYMLKK-UHFFFAOYSA-N	406.330	4.569	50	20	HJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)Nc3nc(-c4ccncc4)cs3)oc12	916129654	RDWHCQUTEBETKJ-XNTDXEJSSA-N	402.435	4.506	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc2c(s1)-c1ccccc1OC2	917215049	WQDYVTUHJYVAGD-UHFFFAOYSA-N	401.831	4.626	50	20	HJGD	
O=C(NN=Cc1ccc(N2CCCCC2)o1)c1cc(-c2ccco2)nc2ccccc12	917571349	GXWUSVIUJORNAG-UHFFFAOYSA-N	414.465	4.842	50	20	HJGD	
COc1cccc(OCC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	917631639	TXTDINBUMRRIPT-MRXNPFEDSA-N	405.825	4.932	50	20	HJGD	
O=C(NCc1ccnc(Oc2ccccc2)c1)NNc1ccccc1C(F)(F)F	918204374	AODYWRMETJQYHR-UHFFFAOYSA-N	402.376	4.719	50	20	HJGD	
COc1ccccc1/C=C(/C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	918595380	PEJKMDPXFPYPDX-QGOAFFKASA-N	423.856	4.941	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1ccccc1Cl	1318363274	VBYSRRWGNDOWOZ-IBGZPJMESA-N	414.889	4.774	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCc3cnn(C(C)C)c32)c(C)n1CC(C)C	1320243988	JNWAEEJXOYDKJR-PBDXZUMESA-N	407.562	4.639	50	20	HJGD	
C[Si](C)(C)OCC(=O)NC1(c2ccc(NC(=O)CCc3ccccc3)cc2)CCC1	1787678565	CDLMWLIKVCPRNL-UHFFFAOYSA-N	424.617	4.605	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)c(C)c1	1789649906	YDOYWPLSUVIRKA-UHFFFAOYSA-N	424.617	4.903	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)cc3OC)CCC2)cc1	1790488615	ZLTBGJLEUZNCRH-LJQANCHMSA-N	414.933	4.769	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1	1790494510	CGUKNVDHFZLHOX-FQEVSTJZSA-N	423.384	4.937	50	20	HJGD	
O=C(Cc1csc(Cc2ccc(F)cc2)n1)NNc1ccccc1C(F)(F)F	65582861	RHBUMBZWTGPHRP-UHFFFAOYSA-N	409.408	4.578	50	20	HJGD	
Cc1ccc2nc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)sc2c1	72100112	VTDFQDZTOJJLGO-LOHYDARVSA-N	420.538	4.748	50	20	HJGD	
Cn1cc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1	141760365	UBKOOSPTQXMRSD-YBEGLDIGSA-N	414.450	4.578	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2oc3ccc(F)cc3c2C)c1C	303061980	XSUVXZJJRLWNOY-HBFFOVPNSA-N	423.488	4.729	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccc(Oc2ccccc2)cc1	725870046	ZBSFIFWHLCLMQQ-SFHVURJKSA-N	403.482	4.503	50	20	HJGD	
O=P(CCN1CCCC[C@H]1[C@@H](O)c1ccccc1)(c1ccccc1)c1ccccc1	726975302	VLWVYPHYSSJXER-UIOOFZCWSA-N	419.505	4.589	50	20	HJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)c(F)c2)cc1	727263479	ASTGSMFVUGMPCP-HMMYKYKNSA-N	407.489	4.551	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c(C)c1	730595965	IVPXIFFALWZLIT-CABCVRRESA-N	408.354	4.732	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1ccc(OCc2cc(C)c(C(=O)O)o2)cc1)c1ccccc1	731931294	DSJREOZULMWCTH-OAQYLSRUSA-N	420.465	4.509	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCOC[C@@H]3c3ccco3)c2C)c1	735026332	ZUKGPSLOVCKPKT-XOYGFPHKSA-N	415.493	4.503	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@H]2c2ccc(C)cc2)c1C	741594809	PMMUYCNPYKPRDM-DFOZZHOTSA-N	405.542	4.721	50	20	HJGD	
C[C@@H](CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1cccs1	743642796	BBDIWCWCXFMMES-MRXNPFEDSA-N	408.527	4.630	50	20	HJGD	
O=C(NN=Cc1cc2ccccc2nc1N1CCCCC1)c1cccc2cccnc12	747356898	ZTIGLVSQXGHZTL-UHFFFAOYSA-N	409.493	4.537	50	20	HJGD	
COc1c(C(=O)NNc2ccc(Cl)cc2Cl)sc(C)c1Br	748017715	NKIATSWBSFOPBU-UHFFFAOYSA-N	410.120	4.891	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCCc2ccc(Cl)cc2)c1C	749525631	LJTVKVZLTDGDHR-VYVDHXHBSA-N	413.949	4.622	50	20	HJGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)[C@@H](C)Oc1ccc(Cl)cc1Cl	749857302	BGORZYKXMQCINV-GFCCVEGCSA-N	419.268	4.617	50	20	HJGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)[C@H](C)Oc1ccc(Cl)cc1Cl	749857304	BGORZYKXMQCINV-LBPRGKRZSA-N	419.268	4.617	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	752618388	SUYZDPQRLBFHOO-IAOKNECISA-N	409.408	4.614	50	20	HJGD	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNc2cccnc2Cl)cc1	754485580	ZKFRCCFIWNFMSF-UHFFFAOYSA-N	420.900	4.968	50	20	HJGD	
COc1ccc(C(=O)CCCCC(=O)NNc2ccnc3cc(Cl)ccc23)cc1	760162949	FYZNKMLILSAJHB-UHFFFAOYSA-N	411.889	4.783	50	20	HJGD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNc1c(Cl)cc(F)cc1Cl	767406306	CZPIQABCZHWNRS-QGZVFWFLSA-N	408.260	4.540	50	20	HJGD	
CC1(C)CN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC(C)(C)C1	768647615	KSAXFFHYMBFGNQ-MOSHPQCFSA-N	415.541	4.655	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c1	768715731	QAHFNYAENZRZKP-UHFFFAOYSA-N	420.828	4.693	50	20	HJGD	
CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NNc3ccc(C(F)(F)F)cc3)cc2C1	769605767	OGGUHXZYTBOWAV-UHFFFAOYSA-N	421.419	4.713	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	771291640	WGPNICRTEOAVHI-INIZCTEOSA-N	406.461	4.774	50	20	HJGD	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNc1ccnc(Br)c1	771560740	JBTVWZBLPMAPBK-CLFYSBASSA-N	401.091	4.698	50	20	HJGD	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	773326901	XPRLYUHGEADFCV-AWEZNQCLSA-N	416.308	4.673	50	20	HJGD	
COc1cc(C#N)ccc1OS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777852650	DUIWKHMXVAHUQP-UHFFFAOYSA-N	415.361	4.992	50	20	HJGD	
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)NN(Cc1ccccc1)c1ccccc1	782825234	NNGDPQIHLWNXJQ-UHFFFAOYSA-N	414.292	4.670	50	20	HJGD	
CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NNc1nccc2sccc12	783440229	VDAAUGSCYOWHPW-UHFFFAOYSA-N	420.947	4.532	50	20	HJGD	
O=C(Cc1ccccc1F)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783470086	OXGRKIIIRQGXHU-UHFFFAOYSA-N	419.368	4.531	50	20	HJGD	
CC(C)(NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C1CCOCC1	785399044	VNNPINPUYKSRNS-UHFFFAOYSA-N	409.442	4.828	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(Cl)s2)c(C)n1C[C@H]1CCCO1	786308861	JKXGEIIKIVGBGR-JDZKTDJGSA-N	404.919	4.649	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2occc2CSc2ccccc2)c1	792941928	XAHFVAHCRINSGP-UHFFFAOYSA-N	411.552	4.820	50	20	HJGD	
Cc1cc(C)c(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1C=O	793470022	XBTDZYUTUXEELH-UHFFFAOYSA-N	415.209	4.654	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12	794696775	BHUDRXCMIRUSSU-MDWZMJQESA-N	405.820	4.639	50	20	HJGD	
COCC[C@@H]1CCCC1=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	799867703	NJFKGTFNESZYCJ-KRWDZBQOSA-N	400.906	4.841	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)Cc2sc(C)nc2-c2cccs2)c(Cl)c1	802051605	WLIXTRRNORJGDL-UHFFFAOYSA-N	420.947	4.537	50	20	HJGD	
CC(C)CCSc1ccc(C(=O)NNc2nccnc2C2CCC2)cc1[N+](=O)[O-]	805465062	RRYMFFZRZZWVOY-UHFFFAOYSA-N	415.519	4.547	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC(O)(c2ccccc2)C1	806184184	UXUZZCMXSVNLRI-HNNXBMFYSA-N	416.852	4.641	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(C)c3csc(C)n3)cc2)cc1	812383663	VXLRVQRCJPPKPB-UHFFFAOYSA-N	409.511	4.583	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	814619958	WUZQAUWFVHJUES-UHFFFAOYSA-N	422.316	4.600	50	20	HJGD	
Cn1cnnc1SCc1ccc(C(=O)NN=C2CCCC[C@H]2C2=CCCCC2)cc1	814702714	YKZCEEIQLYWWRS-FQEVSTJZSA-N	423.586	4.884	50	20	HJGD	
CC[C@H](C(=O)NNc1ncnc(Cl)c1C(C)C)c1cccc(C(F)(F)F)c1	857545348	DLWWCBCMMIUCTB-ZDUSSCGKSA-N	400.832	4.909	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccc2)c2ccccn2)c(C)n1CC(C)C	901004130	CIEQIEPXFAYEPJ-GJFKPFFXSA-N	412.537	4.969	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C)c1ccc(F)c(F)c1	914517462	USPPHWVCEYJNDP-PACYTGELSA-N	401.457	4.551	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)c3ccccc3)cc2)cc1	915863768	MDNISDWRMCVJGY-SILNSSARSA-N	410.477	4.959	50	20	HJGD	
C[C@@H]1CN(Cc2ccccc2NC(=O)CCCC[C@@H]2CCSS2)C[C@@H](C)O1	918613980	XHWJRMRJZBAUDY-ZHALLVOQSA-N	408.633	4.948	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1	918713587	OOVUXQANFNLDGH-NTUHNPAUSA-N	413.264	4.938	50	20	HJGD	
Cc1cc(OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	919684474	PXSXDRNZLQKMPD-AWEZNQCLSA-N	422.397	4.599	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2nc3ccccc3[nH]2)c(C)n1CCC(C)C	920445460	GNSFIVOEZNBNEU-DEDYPNTBSA-N	403.530	4.593	50	20	HJGD	
COC(=O)c1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)oc1C	1317824224	BTZYMLVTIOIYEU-ODLFYWEKSA-N	423.513	4.522	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CCC1	1785755513	GHGXVCSKHZOMOH-KRWDZBQOSA-N	420.340	4.890	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3csc(C)n3)CCC2)cc1	1786442297	FYDWNSNCWMECQS-GOSISDBHSA-N	419.978	4.536	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccnn3C(C)C)CCC2)cc1	1786444218	FGWNUDJOPPOVOK-SFHVURJKSA-N	416.953	4.619	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nc(Cl)ccc3F)cc2)CCC1	1786988251	PGSWBZKYMKXESP-CQSZACIVSA-N	424.303	4.639	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)cc2C)[nH]n1	1815324796	XUKCRHVTAAGKRB-FUHWJXTLSA-N	420.916	4.571	50	20	HJGD	
CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)Cl)CC1)c1ccccc1	1824240367	IYNSVSRHESZUKE-HKBOAZHASA-N	422.972	4.580	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2)CC1	1824617547	VMJMFHDLNGXMOA-NHCUHLMSSA-N	404.982	4.636	50	20	HJGD	
COC(=O)Nc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)ccc1F	261409795	PACRUSJINDKXEY-RQZCQDPDSA-N	412.465	4.624	50	20	HJGD	
CCN(Cc1ccncc1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	727376215	KJIZOBSXNZVOQA-KGENOOAVSA-N	402.473	4.584	50	20	HJGD	
CC(C)Sc1ccc([C@@H](C)NC(=O)NNC(=O)Cc2ccc3ccccc3c2)cc1	728956750	CQRFJXPFXFENMA-QGZVFWFLSA-N	421.566	4.974	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(C)cc3)cc2F)cc1	730275177	VOXLLQSYXYVIGK-UHFFFAOYSA-N	423.513	4.831	50	20	HJGD	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)c1ccc(Br)s1	730435825	CZBBIGUNQSYERD-UITAMQMPSA-N	413.090	4.769	50	20	HJGD	
O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NNc1ccc(F)cc1F	733362938	AXNYCOMPZOZFJB-UHFFFAOYSA-N	413.371	4.793	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@@H](CO)c1ccc(F)cc1	734927360	LGZOQPJBVQUMRR-DZGCQCFKSA-N	422.831	4.900	50	20	HJGD	
CC(C)C[C@@H](NC(=O)NNC(=O)c1cccc2ncccc12)c1ccc(Cl)cc1	745837333	DCIMGIOJBAWOPY-HXUWFJFHSA-N	410.905	4.620	50	20	HJGD	
N#Cc1ccccc1OCc1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	747598123	GRJDSHBZTGJDPR-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
COc1ccccc1/C=C(/C(=O)NNc1cccc([N+](=O)[O-])c1C)c1ccccc1	748665645	ANTZDPMNNYVRFF-XDJHFCHBSA-N	403.438	4.596	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	750808120	MNGPUWNDIXCLPS-UVTDQMKNSA-N	409.804	4.870	50	20	HJGD	
Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1-c1nnnn1C1CC1	752423848	VOBUEUGUPUDLBH-MRXNPFEDSA-N	403.577	4.636	50	20	HJGD	
COc1ccccc1-c1cc(C(=O)NN=Cc2cc(C(F)(F)F)ccc2Cl)n[nH]1	753714621	OJVILHMPOJEOPD-UHFFFAOYSA-N	422.794	4.521	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)F)c(F)c1)C(=O)Nc1nc2ccccc2nc1Cl	754681207	ZWSJZHIJCZJMMY-XFFZJAGNSA-N	418.762	4.569	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c2ccccc2n1	755430226	PVAJSSHPKCKZBK-UHFFFAOYSA-N	408.461	4.581	50	20	HJGD	
O=C(NNC(=O)c1ccc(Br)cc1Cl)Nc1cccc(C(F)F)c1	756299552	GWSFHKUXHSKTTQ-UHFFFAOYSA-N	418.625	4.507	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1	758915045	QLLKNQSGXWGGMN-QUYZQLMHSA-N	403.438	4.573	50	20	HJGD	
N#Cc1c(F)ccc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1Cl	761776534	BUYJSOZXAUYZSQ-UHFFFAOYSA-N	401.825	4.982	50	20	HJGD	
Cc1nc2ccc(C(=O)NNC(=O)Nc3ccc(-c4ccccc4)cc3)cc2s1	762989899	NZCQYYJTXLRABW-UHFFFAOYSA-N	402.479	4.738	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccccc1NCc1ccco1	765008050	AKMXACXSMFBLSL-UHFFFAOYSA-N	400.276	4.720	50	20	HJGD	
COc1cc(/C(C#N)=C/c2csc(-c3ccc4c(c3)OCO4)n2)ccc1[N+](=O)[O-]	774561085	OSWPOKOGKLDWQU-MKMNVTDBSA-N	407.407	4.520	50	20	HJGD	
Cc1nnc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)s1	781865404	JDGJSVRRPWUKFW-AYCSXLNKSA-N	410.474	4.605	50	20	HJGD	
Cc1cccc([C@@H](O)CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782985121	LJOUIRFISSFVNA-HNNXBMFYSA-N	417.421	4.664	50	20	HJGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2csc(COc3ccc(Cl)cc3)n2)c1	786057006	WXGOOUWTOIHIND-LICLKQGHSA-N	423.925	4.907	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)ccc1Cl	788579399	VURHXUGPHYMQHU-UHFFFAOYSA-N	416.909	4.513	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(Cl)ccc(F)c2C)c1C	791040295	BNADQNPOPWPMNE-OLWAXZHHSA-N	403.885	4.959	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1	797746090	MDULODXZVNTGFN-UHFFFAOYSA-N	413.211	4.537	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	805470851	VDGGUROEMPYJGH-JKSUJKDBSA-N	405.527	4.547	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Br)c1cccc(Cl)c1	811632699	ZNWIRWBKUGPVFX-UHFFFAOYSA-N	405.601	4.885	50	20	HJGD	
COC(=O)c1cc(NNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)ccc1C	816687896	SSONPOVMJMDHKC-UHFFFAOYSA-N	415.902	4.624	50	20	HJGD	
CN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918286951	RZBVLQAAQIKCHO-QGZVFWFLSA-N	416.852	4.503	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)CCC1	1790331166	BFHFEYXQBARTPX-SFHVURJKSA-N	406.860	4.730	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	7746932	ACEMTAFBEPLEMI-RBYWHNRPSA-N	404.901	4.678	50	20	HJGD	
COc1ccc2nc(S[C@@H](C)C(=O)/C(C#N)=C3\Nc4ccccc4S3)[nH]c2c1	23471543	HFHIEZFJEWYTLL-YODGCNRUSA-N	408.508	4.574	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	35517950	NGRHJDACGVODPA-SSZFMOIBSA-N	403.394	4.799	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1C	145052235	FGPCUXNTDMTPPU-AOKAIEHJSA-N	405.542	4.706	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(F)c(F)c2)c1C	211324815	GWGDFUONFOJIFU-ZDLGFXPLSA-N	400.425	4.516	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)CCCc1ccccc1)c1ccc(Oc2ccccc2)cc1	727844365	NBPZGNKNAITUAP-IBGZPJMESA-N	417.509	4.893	50	20	HJGD	
O=C(NN=Cc1ccccc1OC1CCCC1)c1cc(F)ccc1Br	728435773	HNELFKBBENOGAF-UHFFFAOYSA-N	405.267	4.674	50	20	HJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC(=O)O)c([N+](=O)[O-])c3)n2)cc1	731564003	YVGAMVORUDBNJZ-LZYBPNLTSA-N	421.434	4.554	50	20	HJGD	
C[C@H](NC1(CNC(=O)CCCC[C@H]2CCSS2)CCOCC1)c1ccccc1	733288533	DCHAFEJEDKPWKE-ICSRJNTNSA-N	422.660	4.717	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)c3cnc4ccsc4c3)s2)cc1	739412522	CHBIHBBNEBXXFU-UHFFFAOYSA-N	422.535	4.770	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2	740765085	PAVUZBYRPXNUCB-GIJQJNRQSA-N	419.868	4.720	50	20	HJGD	
N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)c1ccc2ccccc2n1	742432724	GBEYKGCDDUHRGV-DHDCSXOGSA-N	409.239	4.525	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c(C)c1	743820051	MARTZIBDZZMNEZ-HOTGVXAUSA-N	408.354	4.732	50	20	HJGD	
O=P(CCN1CC[C@H](COCc2ccccc2)C1)(c1ccccc1)c1ccccc1	744411144	JROFTVNXDHMGJC-DEOSSOPVSA-N	419.505	4.539	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3cc(F)c(F)c(F)c3)c2c1	746704169	VMPFKGISRWIHIZ-UHFFFAOYSA-N	408.383	4.779	50	20	HJGD	
O=C(NCc1nnc(S)n1C1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752982043	LHFAVNZQMJXVCM-UHFFFAOYSA-N	415.413	4.881	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1ccc(COC(C)C)cc1	756212513	FLWLADUDWVHPJI-UHFFFAOYSA-N	424.526	4.510	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1C(F)(F)F	759659986	GAZMYYYNTOMMOY-UHFFFAOYSA-N	424.382	4.586	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2ccccc2OC(F)(F)F)c1-c1ccccc1	760517991	UEEVYZKRIHHPER-UHFFFAOYSA-N	418.419	4.862	50	20	HJGD	
COc1ccc(C)cc1CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762637862	ZNJQYRYLGXYJGR-UHFFFAOYSA-N	424.391	4.916	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C/c3cc(O)ccc3Br)nc(O)c2c1C	769775891	IIGYMSLVBPPEPC-VZUCSPMQSA-N	402.273	4.546	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1nc(-c2cccs2)n(-c2ccccc2)n1	770196780	KKSRXUFNJFGGCN-UHFFFAOYSA-N	413.865	4.545	50	20	HJGD	
COc1cc(C(=O)NNc2ncc(Cl)cc2Cl)cc(Cl)c1OCC(C)C	775270081	YSJNRQXNWMILMT-UHFFFAOYSA-N	418.708	4.842	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccc2c(c1)CCC(=O)N2CC1CC1	776065222	JCAORMSPGPSUJM-UHFFFAOYSA-N	419.312	4.831	50	20	HJGD	
CC(C)(C)N1CCC(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	777898942	PQRZNXOKOZBBIC-UHFFFAOYSA-N	422.485	4.885	50	20	HJGD	
COc1ccc(SCCCC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	780951979	MYZXLZFSQNMHRX-UHFFFAOYSA-N	400.422	4.609	50	20	HJGD	
Cc1cc2cc[nH]c2cc1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	781547059	POSZKCIBLIUMEP-LYCWOWIHSA-N	402.498	4.619	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1Cl	782108121	PKOJGSCMJXLZRW-FNORWQNLSA-N	423.609	4.945	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)C(=O)Nc1ccccc1Sc1ccccc1	782812608	PYYULPCGMMRBQM-UHFFFAOYSA-N	420.519	4.529	50	20	HJGD	
CCCn1ccc2ccc(NC(=O)C(=O)NN(c3ccccc3)c3ccccc3)cc21	782820723	FOCINWPWCFSINK-UHFFFAOYSA-N	412.493	4.859	50	20	HJGD	
O=C(Nc1cccc(SC(F)F)c1)C(=O)NN(c1ccccc1)c1ccccc1	782821565	NLNYTJVMORGHNR-UHFFFAOYSA-N	413.449	4.809	50	20	HJGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2cc(Cl)ccc2Cl)cc1Cl	783367827	YCAYWCJCJMEZGI-UHFFFAOYSA-N	416.692	4.516	50	20	HJGD	
Cc1cccc(CC(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	783462702	IIHFLGQJMNLLNO-UHFFFAOYSA-N	415.405	4.700	50	20	HJGD	
CC(=O)Nc1ccc2c(COC(=O)CCCC[C@@H]3CCSS3)cc(=O)oc2c1	786590457	PZZMPRQEAMWXKG-MRXNPFEDSA-N	421.540	4.509	50	20	HJGD	
CCCCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)ccc1OC	787150516	COMVHDXMSZCVID-LCJWNIEWSA-N	408.498	4.667	50	20	HJGD	
COc1cc(NNC(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)ccc1Cl	789091060	FUMCVFPTAJEOIF-UHFFFAOYSA-N	421.284	4.792	50	20	HJGD	
COc1cc(NNC(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)ccc1Cl	790168932	RGXSRQNHXHYYOQ-AWEZNQCLSA-N	411.889	4.650	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(\C#N)c1nc(-c2ccncc2)cs1	794701928	XYWFATVLHURZMH-XNTDXEJSSA-N	404.886	4.812	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=C(/C#N)C(=O)C2CCOCC2)cc1	794954826	WBARJRZKGXSYGW-ZHZULCJRSA-N	415.468	4.890	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C	796558552	VGTQSHRRHVLQBO-SFHVURJKSA-N	417.575	4.969	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](c3ccccn3)C2)c(C)n1C1CCCCC1	798717745	JBERZGINGXJNAQ-AREJXAQWSA-N	402.542	4.928	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNc3ccc(F)cc3Br)cc2)cs1	799705002	BJVGHHAWOFKCON-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2ccc(F)cc2F)cs1	810351060	JZSHSELTHKQIGL-UHFFFAOYSA-N	405.445	4.957	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCO2)c1cc(C(F)(F)F)ccn1	812248083	CRRWUDCCNNSPED-VZUCSPMQSA-N	411.177	4.698	50	20	HJGD	
O=C1COc2ccc(CNc3ccccc3S[C@@H](Cl)C(F)(F)F)cc2N1	816525204	JVISWLKTWPUBNM-MRXNPFEDSA-N	402.825	4.849	50	20	HJGD	
O=C(Nc1cccc(CN2CCCC2=O)c1)NN(Cc1ccccc1)c1ccccc1	915345654	UXMDZLABZGTZSW-UHFFFAOYSA-N	414.509	4.552	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc(Cl)c1O	915863727	KLUWMQSHNXVUKH-SDQBBNPISA-N	405.907	4.744	50	20	HJGD	
N#C/C(=C/c1cccc2c1OCO2)C(=O)Nc1nc(-c2ccccc2Cl)cs1	915985233	RLNONTGITNFASY-JYRVWZFOSA-N	409.854	4.738	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	916096935	FDIIESOTRGGXLJ-UHFFFAOYSA-N	421.453	4.836	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cn1	916400061	ORBMUHNFKSZDNY-JMIUGGIZSA-N	404.901	4.674	50	20	HJGD	
O=C(NCc1csc2ccccc12)NNc1ncc(C(F)(F)F)cc1Cl	918212863	VXZLBEQCBHMHAM-UHFFFAOYSA-N	400.813	4.795	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c(C)n1CC(C)C	920232944	RCVXSOYVGXDVFD-ZFGHMCBJSA-N	419.569	4.952	50	20	HJGD	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(/C=C(\C#N)C(=O)OC(C)C)cs1	920397832	SJNDGDZJWRWCGD-MDWZMJQESA-N	423.416	4.705	50	20	HJGD	
CCN(C[C@@H]1CCOC1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	920749882	UIAPAHCXMXCZQI-TYJAPOHBSA-N	411.933	4.540	50	20	HJGD	
Cc1ccc2[nH]c(C(=O)NNc3c(F)cc(F)cc3Br)c(Cl)c2c1	1339479205	FTWMBNICCKPCDA-UHFFFAOYSA-N	414.637	4.927	50	20	HJGD	
CCOC(=O)COc1ccc(/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	1339966024	ZDUAFFJHBRAIET-PDGQHHTCSA-N	420.490	4.825	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)c3ccccc3)cc2)CCC1	1786614029	XTXFBSKEFSDRIR-MOPGFXCFSA-N	402.897	4.849	50	20	HJGD	
C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCCCCCCl)CC1	1831325029	OEQUJKVEAXXSEN-JOCHJYFZSA-N	423.041	4.989	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cs1	211576583	GEKJFMPQJCUCSC-PDGQHHTCSA-N	416.506	4.990	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1	214857053	UBFBPHQFIPZYRI-GRRFOWRYSA-N	403.265	4.779	50	20	HJGD	
CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	725870133	AELDZNJICFNZRJ-KRWDZBQOSA-N	415.559	4.511	50	20	HJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1	726427984	CELVDERRRRBKCE-DEFALTHMSA-N	407.466	4.583	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cccc(COc3cccc(F)c3)c2)c(C)c1	734025906	LBBIVLYKSQITAN-UHFFFAOYSA-N	423.513	4.653	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1cc(-c2ccc(Cl)s2)nc2ccccc12	734260765	MIVBRNCKMUTZDX-UHFFFAOYSA-N	416.293	4.817	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2ccc(OC(C)C)cc2)c(C)n1C[C@H]1CCCO1	735253545	MJESNJZKVGBGMB-JPFXZVHCSA-N	408.498	4.584	50	20	HJGD	
O=C(NNc1cccnn1)c1oc2ccccc2c1CSc1ccccc1Cl	736698177	CTDHFRXQCRSPSK-UHFFFAOYSA-N	410.886	4.925	50	20	HJGD	
O=C(CSCc1ccc(Cl)cc1Cl)NNc1ncccc1C(F)(F)F	740095795	LMPDZUTUVFFDKN-UHFFFAOYSA-N	410.248	4.784	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)C(C)(C)C)c1C	741937868	QHVZAFUBQRAESL-ATVHPVEESA-N	413.543	4.587	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCc2ccc(OC3CCCC3)cc2)c(Cl)c1	743577502	IBSJLIMBKMUBOT-UHFFFAOYSA-N	416.909	4.506	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCC(C)(C)c2ccccc2Cl)c(Cl)c1	743586627	DORHOAUFGGRTKH-UHFFFAOYSA-N	409.317	4.615	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c(C)n1CC(C)C	746360800	UMJLOMSTOLNQOH-APSNUPSMSA-N	424.492	4.802	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)c1C	747786792	XAQVMBDLKUPSTG-DEDYPNTBSA-N	402.502	4.544	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(C)C)c(O)cc2C)c1C	748130242	UYWNBOIMTRVSKN-GTNUZRKBSA-N	409.530	4.995	50	20	HJGD	
Cc1nc(CCC(=O)NNc2ccc(Br)cc2F)oc1-c1ccccc1	748173934	OEMMVPKCIPLRPH-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
CC(C)(C(=O)NNC(=O)Nc1cccc(COC2CCCCC2)c1)c1ccccc1	756243305	BZNNGMCZMBCXTA-UHFFFAOYSA-N	409.530	4.666	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccccc1CCC(F)(F)F	759752318	IUHXDZRZGNPLPA-UHFFFAOYSA-N	409.477	4.684	50	20	HJGD	
Cc1nnc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)s1	759933236	ZBAVSIOHGKOKCM-JMCQJSRRSA-N	410.874	4.949	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	760857002	UHDTZXYPACHLPB-UHFFFAOYSA-N	405.841	4.731	50	20	HJGD	
CCC1(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCOCC1	762663945	GLDULEVXWNXXSL-UHFFFAOYSA-N	416.412	4.606	50	20	HJGD	
COC1CCC(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762678328	PWKYRESHVZDWTL-UHFFFAOYSA-N	416.412	4.604	50	20	HJGD	
COc1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1NC(=O)OC(C)(C)C	771105133	UFOUTYHXQNUDLH-UHFFFAOYSA-N	424.860	4.983	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc(Br)c1OC	772174420	AMDRDILFSBVLLI-YIXHJXPBSA-N	422.225	4.924	50	20	HJGD	
CS[C@H](C)CCC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1	774065331	YYHRSVITGJWYEX-MRXNPFEDSA-N	420.600	4.618	50	20	HJGD	
C=C(C)[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1	776183769	WAVOWNCNRVDXGI-INIZCTEOSA-N	414.239	4.533	50	20	HJGD	
Cc1cc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n(CCC#N)n1	777624801	XOEXNIWNMYBBSU-UHFFFAOYSA-N	416.397	4.563	50	20	HJGD	
COc1c(Br)cc(/C=C(\C#N)C(=O)C2CCCC2)cc1Br	781556210	VERFVVWKYGSMOM-WUXMJOGZSA-N	413.109	4.886	50	20	HJGD	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NNc2cccc(F)c2)cc1	783039721	KGQBKEAEHVGLQT-HNNXBMFYSA-N	409.486	4.761	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	787370544	ADPJUIQNJXEQGO-FOWTUZBSSA-N	417.852	4.844	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)c(C)n1-c1ccc(OC(F)F)cc1	794885733	ZYLKIGORFRZNTD-YCPFAOKUSA-N	400.425	4.598	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1csc(Cl)c1	801504584	CCYCZDVYDWSBMR-UHFFFAOYSA-N	410.518	4.683	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1C	804138826	DOIBOQSGPGZNNY-LDADJPATSA-N	423.542	4.582	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(-c2nc3ccccc3s2)s1	805382563	VXJIYJVNSAWKCK-UHFFFAOYSA-N	410.480	4.998	50	20	HJGD	
CC[C@@H]1c2ccsc2CCN1C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	810149805	FLAXBJJLQWQGDR-HPUFKIGUSA-N	411.571	4.817	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813526969	XDRHJFYPMDCWRM-UHFFFAOYSA-N	410.135	4.557	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)c3cccc(Cl)c3)c2Cl)c1	916278182	GZPOTOOWNHRPND-UHFFFAOYSA-N	401.297	4.868	50	20	HJGD	
N#C/C(=C/c1ccc2c(c1)CCO2)C(=O)Nc1nc(-c2ccccc2Cl)cs1	917517815	SRVWJEFPNMGEEJ-GDNBJRDFSA-N	407.882	4.944	50	20	HJGD	
CCCOc1cc(C)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	917746071	HKMIJKCVYYKSSS-BHJKQYKASA-N	421.541	4.927	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1	918322797	VKUSWZMZCMEXAJ-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc2c(s1)-c1ccccc1OC2	932478606	MRSCTIXZESSPKO-UHFFFAOYSA-N	401.285	4.827	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)cn1	1785777320	WFILMBGPJYWXPD-GOSISDBHSA-N	417.912	4.661	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@]3(F)CCCCC3(F)F)CCC2)cc1)[C@@H](F)Cl	1788584695	HSLAAAYSEKNHTP-RDTXWAMCSA-N	420.834	4.573	50	20	HJGD	
CCC1(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)CBr)CCC3)cc2)CCC1	1789199041	IMKWGXWZDVZFEU-OAHLLOKOSA-N	421.379	4.732	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccco3)cc2)CCC1	1791913133	WRIXIHWHGKJYPU-KXBFYZLASA-N	402.922	4.610	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)CCc3ccoc3)cc2)CCC1	1791955670	FKHAWHUKKNXHKR-HXUWFJFHSA-N	423.340	4.583	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc23)cc1	214385187	MOUONKIKWCMMQV-MNTXUITRSA-N	414.461	4.716	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)c1ccccc1Oc1ccccc1	725874284	BTQPMJFKKIEHPQ-QGZVFWFLSA-N	404.470	4.884	50	20	HJGD	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)CCCc1ccccc1	727845374	NCNRSVXBMVCUFD-UHFFFAOYSA-N	408.329	4.579	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(Br)cc1F	729275760	UCAODHQEXXECKL-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)cnn1-c1cccc(Cl)c1	729516208	SJVSFUQYTANNHS-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
COc1cc(C=NNC(=O)c2cccc3ncccc23)ccc1OCc1ccccc1	730147092	OBHBGNUSMYCVAM-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cccc(OCc3ccccc3C(=O)O)c2)c1	731562836	HMNQMUAVGXPZKW-NDENLUEZSA-N	413.429	4.762	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1)c1ccccc1	732237911	NYGMAZFSOXVSAN-QRWLVFNGSA-N	422.554	4.704	50	20	HJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NN=C3CCC(O)(C(F)(F)F)CC3)cc2C1	734745317	KQQCSIGOLYCROC-YTJLLHSVSA-N	416.509	4.852	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccn(C(C)C)n2)c(C)n1-c1ccc(Cl)cc1	737956720	JDXRLRDPLJGAEM-XDHOZWIPSA-N	421.932	4.748	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3c[nH]c4ncccc34)c3ccccc3n2)cc1	741760788	RTTBWRRNFAZSRC-UHFFFAOYSA-N	405.461	4.850	50	20	HJGD	
Cc1nn(C)c(C)c1C(=NNC(=O)Nc1ccc(-c2ccccc2)cc1)C(F)(F)F	741765903	NDLAUBYXXHQHNZ-UHFFFAOYSA-N	415.419	4.792	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)c1	743762621	DTIPYSXNLSFCTJ-QGZVFWFLSA-N	419.485	4.845	50	20	HJGD	
Cc1ccc(-c2nc(C(=O)NNC(=O)Nc3ccc(-c4ccccc4)cc3)cs2)o1	743826030	PVWXZJAPFNCUPY-UHFFFAOYSA-N	418.478	4.845	50	20	HJGD	
CSc1cccc([C@H](NC(=O)NNC(=O)CC(C)(C)C)c2ccc(F)c(F)c2)c1	745902960	BQQDUWITMCPWFK-IBGZPJMESA-N	421.513	4.543	50	20	HJGD	
O=C(NNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2)c1c(Cl)cccc1Cl	747876488	FDGUIMTUMREZCM-WCJKSRRJSA-N	417.336	4.804	50	20	HJGD	
N#Cc1ccccc1COc1cccc(C(=O)NNc2ccccc2Br)c1	748067892	FPJYFWHSQFKTPV-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)n1	748336116	TXBQHDSZMGVXKL-UHFFFAOYSA-N	407.232	4.780	50	20	HJGD	
Cc1ncc(C(=O)NNc2ccc(Br)cc2Cl)c(Cl)c1Cl	748786254	XYCUJMQXNMRNOJ-UHFFFAOYSA-N	409.498	4.870	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc2c(c1)nc(O)n2C1CCCC1	752811931	BEOOPOFSLDBLBB-UHFFFAOYSA-N	405.285	4.921	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	753682096	AHSGDZCIHNIIFN-LFYBBSHMSA-N	415.833	4.559	50	20	HJGD	
CC1(C)Cc2cc(C(=O)NNc3ccc(C(F)(F)F)nn3)sc2-c2ccccc21	755183541	YCOWGEUGVHKPIE-UHFFFAOYSA-N	418.444	4.815	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)C(=O)Nc1ccccc1Br	755699659	LBULHJVZVYXXBQ-XFXZXTDPSA-N	411.234	4.524	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)cc1C	758152661	ZUUWQNKJQPOHNO-UHFFFAOYSA-N	410.930	4.650	50	20	HJGD	
C[C@H](OC(=O)[C@H](Br)C(C)(C)C)C(=O)Nc1cccc(Cl)c1Cl	766751801	NKDGJHRAAQVKOD-UFBFGSQYSA-N	411.123	4.673	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)N[C@H]1CC12CCCCC2	771222267	IWYVOBHITUMMEC-BBRMVZONSA-N	420.884	4.683	50	20	HJGD	
O=C(NCc1ccc(Cl)o1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772830944	QCEWKTRGWCXJOX-UHFFFAOYSA-N	404.744	4.845	50	20	HJGD	
N#C/C(=C/c1cccc(Br)n1)C(=O)Nc1ccc(SC(F)F)cc1	777912993	RLXUYRULOPWYGP-NTMALXAHSA-N	410.243	4.704	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)cc1	782451335	PRCJCFPWJZHASA-QFXXMJIKSA-N	420.509	4.816	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	784814959	LBERJDKIZBMFNS-UHFFFAOYSA-N	413.359	4.601	50	20	HJGD	
CC(=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cnn(C(C)C)c1C	787147550	IVHYVPJOUBHXPW-UHFFFAOYSA-N	412.497	4.537	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1C)c1ccc(Cl)cc1Cl	787177502	KRDKSKDVGKTTRS-MOIHINDBSA-N	418.111	4.818	50	20	HJGD	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)c(Br)c1	789130894	SGPUYQYYKHZVFF-CXUHLZMHSA-N	424.254	4.658	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccccn2)C2CC2)c(C)n1-c1ccc(F)cc1	790895971	XLHVTEAIGUKNPE-XSFVSMFZSA-N	414.484	4.726	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccccc2SC)c1C	791901135	XTFYBVCWPLNXQG-WCEBZYJUSA-N	411.571	4.600	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C)n1C[C@@H]1CCCO1	798017526	QJXGRDROGPTUPV-CJNHSVGTSA-N	423.944	4.517	50	20	HJGD	
CSc1ccccc1[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	800082592	QCPVADOGVOLHEF-JFZBGLEKSA-N	423.582	4.790	50	20	HJGD	
Cc1cccc(Oc2ncccc2NC(=O)NNc2nccnc2C2CCC2)c1C	806224203	ZXIRDJYKFNDDNY-UHFFFAOYSA-N	404.474	4.697	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccc(F)cc2)C(C)C)c(C)n1C[C@@H]1CCCO1	914502837	SJPGEHNNEADJCN-JGTYQCAFSA-N	423.532	4.767	50	20	HJGD	
CCc1ccc(C(=O)NN=Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)cc1	916329624	QNWCUXFKLSBJJW-UHFFFAOYSA-N	401.297	4.814	50	20	HJGD	
Cn1c(-c2ccccc2)cnc1SCC(=O)/C(C#N)=C1/Nc2ccccc2S1	918058982	DZRDFRBLZICZMT-HKWRFOASSA-N	404.520	4.701	50	20	HJGD	
O=C(NNc1cncc(Cl)n1)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	918099943	IAIOYQVMWXQBNW-KRWDZBQOSA-N	422.703	4.853	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(I)cc2Cl)cc1Cl	1318226009	ZUFNIVAZLJXBBY-UHFFFAOYSA-N	421.065	4.663	50	20	HJGD	
O=C(NN=Cc1ccc(Br)c(Br)c1)c1ccccc1Cl	1323769317	BHKMFZQMUZSNJU-UHFFFAOYSA-N	416.500	4.629	50	20	HJGD	
CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)no1	1786011252	CUAOZAHCGUJHNX-UHFFFAOYSA-N	417.937	4.811	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1	1786446796	JJNWSBXBRYGMAX-HXUWFJFHSA-N	409.917	4.713	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c(F)ccnc3Cl)cc2)CCC1	1786990828	HDUUBYRONOLZQB-CQSZACIVSA-N	424.303	4.639	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)c(C)n3)cc2)CCC1	1787169348	GGJIIAUNKWULPH-IBGZPJMESA-N	413.949	4.854	50	20	HJGD	
Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)cc1	1788587679	LFDRLTTXYGPWDO-FQEVSTJZSA-N	402.897	4.596	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2cccs2)CC1	1830301968	AUCQPWVHURBHFE-KTEGJIGUSA-N	423.022	4.789	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC	5953370	WKFWJRWVQMLIOM-OQLLNIDSSA-N	415.287	4.711	50	20	HJGD	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(C)c1	16826302	UXDFORMPXDBMAW-XLKWYTADSA-N	421.541	4.855	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3)c2Cl)c1	208026007	HHBOJJSCTBPTFA-UVTDQMKNSA-N	410.836	4.528	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc2c(c1)nc(O)n2C1CCCC1	729515450	ZJEQTRFZDFHDFT-UHFFFAOYSA-N	421.888	4.816	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c(Br)cc1O	730148759	LBDAHAZTDBAFGT-ONNFQVAWSA-N	405.248	4.976	50	20	HJGD	
Cc1cc(NNC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)ncn1	734254225	OASPIZZYVIYBCO-SFHVURJKSA-N	402.882	4.554	50	20	HJGD	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	737803300	RDBYIHVEMRKTTB-JTQLQIEISA-N	401.772	4.589	50	20	HJGD	
CC[C@H](NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(F)cc1F	738418174	STCPCOZVVNWATC-QHCPKHFHSA-N	421.447	4.654	50	20	HJGD	
CC(C)=CCSc1ccccc1C(=O)NNC(=O)CSc1ccc(Cl)cc1	741207768	QEHJMLOERWVTIV-UHFFFAOYSA-N	420.987	4.952	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c(C)n1C1CCCCC1	741644804	GWKDWLXWNCEROJ-KDWZMCOPSA-N	409.574	4.837	50	20	HJGD	
COc1ccc(NC(=O)NNC(=S)Nc2c(C(C)C)cccc2C(C)C)cc1	741854587	QFLVBZSCBSSVGB-UHFFFAOYSA-N	400.548	4.965	50	20	HJGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	743333291	SIGMOHQBNOCRSV-CYBMUJFWSA-N	408.329	4.833	50	20	HJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(OCC(=O)O)c(Br)c2)n1	747439049	CGQQMHDQKDXHKK-XGICHPGQSA-N	407.289	4.557	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3ccc(OC(F)F)cc3)cc12	748638165	RQPOCEYCSSUREV-UHFFFAOYSA-N	414.437	4.754	50	20	HJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	750044445	VDMQCLWYUDKHSK-MZYRPWKCSA-N	419.416	4.528	50	20	HJGD	
CC(C)n1ncc(C(=O)NNc2ccc(F)cc2Br)c1-c1ccccc1	754276287	XFLRUEKPBQXRRT-UHFFFAOYSA-N	417.282	4.790	50	20	HJGD	
C[C@@H](C(=O)NNc1nccc2sccc12)c1cccc(C(=O)c2ccccc2)c1	762253662	XHRZUSPOORMRCL-OAHLLOKOSA-N	401.491	4.774	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	767407311	NUYHNDYBFGRBMG-UHFFFAOYSA-N	412.126	4.816	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1ccc(F)c(F)c1F	770082323	NHQLLMKTBMQJEG-UHFFFAOYSA-N	405.445	4.952	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1cccc(C(F)(F)F)n1	770401057	CCYAGYUPMQQTRP-UHFFFAOYSA-N	420.460	4.948	50	20	HJGD	
O=S(=O)(Nc1ccc(C2CC2)nn1)c1cccc(S(F)(F)(F)(F)F)c1	775146973	JXDWSEWVLBQYSB-UHFFFAOYSA-N	401.382	4.812	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(OC(F)F)cc(OC(F)F)c1	775781500	MUCRJUSLLNCATF-UHFFFAOYSA-N	413.154	4.953	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c(-c2ccc(C#N)cc2)n1	777871242	JZHHMGQUCLHQCG-LZYBPNLTSA-N	411.852	4.883	50	20	HJGD	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)NNC(=O)C1CCC1	782578005	LUALUWYSBOWTAG-UHFFFAOYSA-N	423.492	4.685	50	20	HJGD	
O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(S(F)(F)(F)(F)F)cc1	782907664	MOIHMZRVDFXNJP-UHFFFAOYSA-N	403.350	4.874	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(\C#N)C(=O)c3ccc(Cl)cc3F)cnc12	783712460	GNZMDOGWHXBRNK-VZUCSPMQSA-N	418.653	4.988	50	20	HJGD	
COCCN(C)c1ccc(CNc2ccccc2S[C@H](Cl)C(F)(F)F)cn1	790976046	AILVSXFRMJUILE-KRWDZBQOSA-N	419.900	4.996	50	20	HJGD	
Cc1nc2ccccn2c1C(=O)NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	799468810	PUVRKWXDESVPMD-OAHLLOKOSA-N	400.404	4.715	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)cc1Cl	810564308	FZGJJCBDSLYVJT-UHFFFAOYSA-N	421.875	4.565	50	20	HJGD	
ClCCCOc1ccc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1	811506680	CNZXPTJGUYUCDE-RBUKOAKNSA-N	405.926	4.656	50	20	HJGD	
CC(CCCCNC(=O)OC(C)(C)C)=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	811635053	KJWSGOUSGPPSNT-AWEZNQCLSA-N	407.580	4.674	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2F)c(C)n1C[C@@H]1CCCO1	875230928	LBUHTYFWBMCSHB-VUZIPCMWSA-N	401.869	4.622	50	20	HJGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])c1nc(O)c2c3c(sc2n1)CCCC3	915850635	JPIAIAGFHCEQNQ-ZFASXLDDSA-N	404.451	4.804	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	915982497	GAPWIWYMQKEECS-BGARDKSCSA-N	406.436	4.552	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NNc1ccc(Cl)cc1Cl	916217877	DFKVSFBMEBZERE-UHFFFAOYSA-N	418.328	4.681	50	20	HJGD	
COC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(Cl)cc3Cl)o2)cc1	916360311	OFEYRDSOSZCJAI-UHFFFAOYSA-N	417.248	4.804	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1c(Cl)nc(Cl)n1-c1ccccc1)c1ccccc1	920065510	SZCGCSTXPICTQI-QXPQOBGOSA-N	411.292	4.963	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc2ccc(C(F)(F)F)cc2[nH]1	1116447964	CRFRBVMINPXFFX-UHFFFAOYSA-N	417.309	4.885	50	20	HJGD	
Cc1c(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cccc1C(N)=O	1320444900	DEMDTJGYJCBFNY-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
O=C(NNc1cncc(Br)c1)[C@@H](Sc1ccccc1)c1ccccc1	1324517058	WQWXYOWTWWVFIU-SFHVURJKSA-N	414.328	4.821	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1	1786013402	HXKJXTXRZQKLAD-UHFFFAOYSA-N	402.922	4.611	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCC=C3F)CCC2)cc1	1790488606	YTXGRSCLPRXFFT-IIBYNOLFSA-N	410.892	4.884	50	20	HJGD	
C[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1	1791432962	FDKHZNVLYIKLPC-OAHLLOKOSA-N	421.379	4.874	50	20	HJGD	
Cc1scc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)c1C	1814694555	FEGMZOLHPCOWPK-MRXNPFEDSA-N	422.982	4.659	50	20	HJGD	
O=C([C@H](F)Cl)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1	1828009638	CRMKRPJVJMIPPD-RTWAWAEBSA-N	416.924	4.608	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2F)ccc1OC(=O)c1ccccc1F	16883064	LVRAGNPASIPHEW-FOWTUZBSSA-N	419.383	4.982	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)CC(=O)Nc2c(C)cccc2C)c1C	303972156	FGEYWJMRUHNZKH-HMAPJEAMSA-N	420.557	4.526	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	726865296	XDCVOLBZKKNAEQ-OLZOCXBDSA-N	418.752	4.519	50	20	HJGD	
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NN(c2ccccc2)c2ccccc2)c1	731456885	SFCALPHUDFSPKE-UHFFFAOYSA-N	414.914	4.617	50	20	HJGD	
Cc1cc(NNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)nc(C)n1	736718573	OOTZDTSSWSNXLD-UHFFFAOYSA-N	403.269	4.949	50	20	HJGD	
CCNC(=O)Nc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	742416972	FXAHJEJHBVUMIH-DEDYPNTBSA-N	421.545	4.838	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1ccc(Oc2cccc(Cl)c2Cl)nc1	743412166	AHTFJYMPIAPVGG-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
O=C(NCC(c1ccccc1)c1ccccc1)NNC(=O)c1cccc2ccccc12	743627434	AIHWCODGHKIUKE-UHFFFAOYSA-N	409.489	4.616	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)N[C@@H](c1cccs1)C1CC1	745406354	COETXXQXFSVXPY-CYBMUJFWSA-N	402.264	4.566	50	20	HJGD	
O=C(CCSc1ccc(Br)cc1)NNc1ccc(OC(F)F)cc1	748656161	OJPQEEFOSBFGGO-UHFFFAOYSA-N	417.275	4.676	50	20	HJGD	
Cc1cccc([C@H](NC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)C(C)(C)C)c1	749617394	XHJIPWBQBXFLCQ-KRWDZBQOSA-N	420.460	4.720	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc12	749948311	XQFLKBCDPGGIRF-NSHDSACASA-N	418.858	4.891	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cc(NCc2ccccc2)nc2ccccc12	750240947	ANPBKYXWZSYSKX-UHFFFAOYSA-N	404.420	4.882	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cnc(-c3cccs3)s2)c1C	751513154	OLOFGQWVXHVFEU-JYRVWZFOSA-N	411.508	4.783	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)cc(C)c1OCc1cccnc1	753303470	WIFJJAGIWBTTEW-UHFFFAOYSA-N	406.873	4.559	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C)n1C1CCCCC1	759472688	LPLXRWIQDGMXKD-XUWMWVKWSA-N	419.573	4.823	50	20	HJGD	
COC(=O)[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(Cl)c(F)c1	760081101	QFXUEEZDBZUJBV-BLLLJJGKSA-N	405.944	4.524	50	20	HJGD	
O=C(O)c1cccc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762457057	OZYBJSPADVUCIF-UHFFFAOYSA-N	403.350	4.843	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ncco3)cc2)c1C	766674192	YSCCFYBDXXWPGM-DEFALTHMSA-N	404.470	4.513	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC2CCC(C(F)(F)F)CC2)c1C	770304777	LDCUMBOKKHCGBG-WQRHYEAKSA-N	412.452	4.570	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Br)c3ccccc23)cc(C#N)n1C	773755249	DJDHJIXIYHFVPJ-OQLLNIDSSA-N	419.282	4.667	50	20	HJGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1	783036393	XRIIUUVHNZOKQG-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NNc1ccccc1C(F)(F)F	789584270	PLVKINRYRLTEGM-UHFFFAOYSA-N	405.420	4.639	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2SC(F)F)c1C	790142423	MTTYEGPUFQKKGD-LFIBNONCSA-N	405.470	4.612	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2	804770996	CBUBMTSNBVTKNV-PFONDFGASA-N	414.440	4.996	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2c(F)cncc2F)c(C)n1CCC(C)C	804826942	FMEJEAWRDFKZOQ-FNMPFJKNSA-N	400.473	4.609	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(C(F)(F)F)cc(Cl)n1	809998513	QYPRIXCNGSOZRP-UHFFFAOYSA-N	401.175	4.712	50	20	HJGD	
O=C(CSc1ccccc1O)NN=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	814968702	BWJNBUSWTGNXOS-UHFFFAOYSA-N	422.350	4.672	50	20	HJGD	
COCCOc1ccccc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016228	LYLSXFQBGZMNNV-UHFFFAOYSA-N	422.325	4.506	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(C(C)C)no2)c1C	858932959	NEOSYXHJCNBWAX-ODLFYWEKSA-N	404.470	4.559	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cc1	899991003	WCYOODZOGQCRAD-SILNSSARSA-N	412.445	4.850	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1	901385422	WQKFHNUOXYVTJY-IZCBMXNHSA-N	410.424	4.614	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C2CCC(C)CC2)C2CC2)c(C)n1C[C@@H]1CCCO1	914487423	JQRLWWAQODSFTO-IWLLTXOJSA-N	409.574	4.761	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2cccc(F)c2)C2CC2)c1C	914489089	YIXNAYTVIIJOKG-WCEBZYJUSA-N	409.505	4.550	50	20	HJGD	
O=C(CCCc1ccc(Cl)cc1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	916163934	IEBCFPAENXHIKX-UHFFFAOYSA-N	401.772	4.733	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCCC(=O)c2c(C)cc(C)cc2C)c(C)c1	918688504	CXOGKSFXSUBLOS-UHFFFAOYSA-N	411.571	4.600	50	20	HJGD	
CCCCCCOCc1cccc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)c1	920888151	SQNOQAINDXWXQH-FYJGNVAPSA-N	404.514	4.848	50	20	HJGD	
O=C(/C=C/c1cc(Cl)cc(Cl)c1)NNC(=O)c1c(Cl)cccc1Cl	1318424192	VIUKEYIXOUXTBV-SNAWJCMRSA-N	404.080	4.775	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3)cc2)CCC1	1788459712	WVEGTELYWJWJEP-IBGZPJMESA-N	424.932	4.670	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccoc1C(F)(F)F	1788583897	GJXBWPANMRYUEJ-CQSZACIVSA-N	418.774	4.581	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cnc3Cl)CCC2)cc1	1790486156	VHJSLZQKCKHQHE-KRWDZBQOSA-N	420.340	4.809	50	20	HJGD	
C[C@H](Br)C(=O)NC1(c2ccc(NC(=O)C3(C)CCCCC3)cc2)CCC1	1791535020	WRVIBUCLZHAPAY-HNNXBMFYSA-N	421.379	4.874	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)c2ccccc2)n[nH]1	1815554074	UOBQKZJFXVYHFA-KVSKMBFKSA-N	420.916	4.520	50	20	HJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	212123474	KEKDNJRICOTOSF-BOPFTXTBSA-N	409.442	4.500	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc3ccccc3s2)c(C)n1C[C@H]1CCCO1	213034525	UZEIIIJKNASPQJ-ZYNFKGNASA-N	421.522	4.544	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1	214385130	MOUONKIKWCMMQV-SWEXZPIWSA-N	414.461	4.716	50	20	HJGD	
COC(=O)COc1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1C	214922503	ALGYNYPUZDTNHO-DEDYPNTBSA-N	414.461	4.554	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)/C=C\c2cccc(OC3CCCC3)c2)c1C	727864457	KRRIMZQRXDAUMW-YPKPFQOOSA-N	409.555	4.656	50	20	HJGD	
CCCc1noc2nc(C3CC3)cc(C(=O)NNc3cccc(C(F)(F)F)c3)c12	728716517	QGXCTKRTELWEOX-UHFFFAOYSA-N	404.392	4.828	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2sc(C)nc2C)c1C	730202872	SFWIMOHZKDDVDM-VONANNMQSA-N	414.575	4.512	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1ccccc1SCc1c(C)noc1C)c1ccccc1	732133069	OOEKUWHZMYTTFM-SFHVURJKSA-N	423.538	4.539	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)Nc1ncc(-c2ccccc2)s1	732990952	VHJJWHRRYNMCMR-UHFFFAOYSA-N	412.862	4.662	50	20	HJGD	
CCn1cc(CN(C)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cn1	733842867	CNKHUDMBUFSZGO-AWEZNQCLSA-N	406.861	4.786	50	20	HJGD	
Cc1nc(-c2ccc([C@H](C)NC(=O)c3c(C)nn(CCCl)c3C)cc2)cs1	733917940	YPKHCIXROGCHND-LBPRGKRZSA-N	402.951	4.662	50	20	HJGD	
C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	734362939	DOXXWGUGWALYFL-MRXNPFEDSA-N	422.529	4.577	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O	741711449	PUKQEYUJMQYDST-GDBMZVCRSA-N	413.008	4.666	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccc(OCC(F)F)cc1	741805038	IHOXRJKPNQQVPN-UHFFFAOYSA-N	410.420	4.527	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1)c1ccc(Br)s1	743298734	CERURGVWNDPHPD-MRVPVSSYSA-N	404.127	4.520	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1csc(-c2cccc(Cl)c2)n1	748726789	RUQLYQXBMVWETP-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	748796173	FJHFVMZVOMDPPB-NWDGAFQWSA-N	403.429	4.907	50	20	HJGD	
CC[C@@H](C)Oc1cc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)ccc1OC	749442881	AJDOBQSXLDGYSD-MRXNPFEDSA-N	423.538	4.689	50	20	HJGD	
N#C/C=C(/c1ccccc1)N1CCC(C(=O)Nc2cccc(Br)c2)CC1	750797081	VYQMWRPGGTZZBZ-UKWGHVSLSA-N	410.315	4.664	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2cccc(Oc3ncccn3)c2)c(C)n1CC(C)C	751193914	KCINOUWHYIGPEK-NDENLUEZSA-N	416.481	4.856	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)Cc2csc3ccc(Cl)cc23)c1	752291509	MWKUBFLGMGOSRY-UHFFFAOYSA-N	407.923	4.563	50	20	HJGD	
O=C(NC[C@@H](CO)Cc1ccco1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752978379	KPYJOHDBRALZGY-NSHDSACASA-N	400.369	4.910	50	20	HJGD	
C[C@H](C#N)CSc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1	756478674	HXMYVJWFOZLDFU-OAHLLOKOSA-N	404.495	4.558	50	20	HJGD	
CN1CCCC(=NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)CC1	758092673	UIYZFRCTWAHJOE-UHFFFAOYSA-N	401.510	4.620	50	20	HJGD	
Cc1nc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)no1	759511572	OXBSWDFGOMILMG-DUPVFGOHSA-N	410.861	4.650	50	20	HJGD	
O=C(NC[C@@H](CO)Cc1ccco1)Nc1cccc(S(F)(F)(F)(F)F)c1	762965791	KTPKGNHZDVFYEQ-NSHDSACASA-N	400.369	4.910	50	20	HJGD	
CS[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1N(C)C	762974463	IMGIVHGABSZVBM-OLZOCXBDSA-N	405.458	4.853	50	20	HJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2ccc(F)cc2Br)c1	764264478	TZBGBHUQKRTBOT-UHFFFAOYSA-N	416.088	4.724	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(CSC2CCOCC2)c1	768155805	UOXXBPSHJLWBIM-INIZCTEOSA-N	400.382	4.847	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1sc(COc2ccc(Cl)cc2)nc1C	771688471	AFZIKAHXUALMPT-UHFFFAOYSA-N	405.882	4.888	50	20	HJGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2c(Cl)cccc2Cl)cc1Cl	773696587	FCNQPACWVLGDGT-UHFFFAOYSA-N	416.692	4.516	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1OC	775254958	YNONJMXJOSEDMD-UHFFFAOYSA-N	417.815	4.698	50	20	HJGD	
O=C(NNc1ccccn1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	777470266	IGHUELWIUNGJKW-GWJIENBWSA-N	421.385	4.647	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cnn(Cc2ccc(F)cc2)c1	780147152	KRNDNZXFLWUVST-CAOOACKPSA-N	424.863	4.587	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1	780523295	FMLWEWDUBGEXES-UHFFFAOYSA-N	408.546	4.688	50	20	HJGD	
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	782116074	ZVFVSDLPFJKXID-UHFFFAOYSA-N	406.332	4.579	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cn(C)nc1C(C)(C)C)c1ccc(Cl)cc1Cl	787144966	NHEZPLUZDCVJLO-YFBAIUBQSA-N	405.329	4.809	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)c3cnc4ccccc4n3)cs2)cc1	790227032	CSNCDBXOXRKORK-GDNBJRDFSA-N	400.463	4.738	50	20	HJGD	
Cc1nn(C)c(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1Br	790601887	AKAZFWBEPSBJGO-VGOFMYFVSA-N	410.300	4.550	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNc1cc(Cl)cc(Cl)c1	791718632	UADFFLOGEDZZQH-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
Cc1cc(F)c(F)cc1OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	793372436	LGIIVAAJHGHFER-BOPFTXTBSA-N	418.403	4.563	50	20	HJGD	
COC(=O)c1occc1/C=C(\C#N)C(=O)c1cc(C)n(Cc2ccccc2Cl)c1C	797120585	ZLYXVBFNGZSJDK-WOJGMQOQSA-N	422.868	4.976	50	20	HJGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)o1	797303123	GSQGRQNJQDSFTM-VBKFSLOCSA-N	417.303	4.547	50	20	HJGD	
CCCN(NC(=O)c1ccccc1SCc1cc(C)no1)C(=O)OC(C)(C)C	804590453	VVGDRYBJBXTYEC-UHFFFAOYSA-N	405.520	4.567	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc(OC)c1OCC(F)F	809147118	KUNWLLBCTGJCNR-VGOFMYFVSA-N	412.392	4.619	50	20	HJGD	
CCc1noc2ncc(C(=O)NNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12	817016225	LTRSENMVFBXQNQ-UHFFFAOYSA-N	418.297	4.580	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2ccc3ccccc3c2)c(C)n1C[C@H]1CCCO1	912574598	LLADDQAANNEWGU-RWTNITNYSA-N	400.478	4.950	50	20	HJGD	
Cc1ccccc1CN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)C1CC1	914487388	JGDQSKZXCZLGFD-AQIZGWBQSA-N	417.553	4.691	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c1C	914500764	YZOCZJJFEZGPQD-PVSFYRCESA-N	415.484	4.717	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCCOCC(F)(F)F)c(C)n1C1CCCCC1	914768132	ZUZHWRGNQMEJKK-LDADJPATSA-N	411.468	4.602	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)CCCCc2ccccc2)c1C	916485048	LDELQEMTTNJALK-VMTJQQBPSA-N	407.558	4.701	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccnn2Cc2ccccc2)c(C)n1CC(C)C	916558529	SBBKNAJQQMAYGK-LPYMAVHISA-N	401.514	4.551	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(C)s1	917025390	VQZGLAXNMCLHFG-UHFFFAOYSA-N	410.568	4.910	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\C1=Cc2cc(Br)ccc2OC1)c1ccccc1	917400427	VRMOYYUPNIIRLV-FNHQQPGVSA-N	409.283	4.552	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccnn2[C@H](C)CC(C)C)c1C	917667510	AMUNRLVVIPGZKF-DYQUDADHSA-N	411.550	4.662	50	20	HJGD	
O=C(NCc1ccc(COCC(F)(F)F)cc1)NNc1ccc(Cl)cc1Cl	918199513	DVCIHHPOGQOABS-UHFFFAOYSA-N	422.234	4.899	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Cl)nc(Cl)n2-c2ccccc2)cc1	920064990	PQYOVCAWMBMBMB-LFIBNONCSA-N	418.305	4.826	50	20	HJGD	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NNc1ccc(C(C)(C)C)nn1	1324534019	SNLAEASQVIRHCE-UHFFFAOYSA-N	419.407	4.513	50	20	HJGD	
C[C@H](C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1)c1ccccn1	1786013421	JXXWLWHETYLECY-INIZCTEOSA-N	413.949	4.584	50	20	HJGD	
Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@](C)(Cl)CCl)CCC3)cc2)c(C)o1	1787345868	FGRKGXZNMFHMOE-HXUWFJFHSA-N	423.340	4.880	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)no3)cc2)CCC1	1790162018	BWHHYIMVPPYXEG-MRXNPFEDSA-N	403.910	4.563	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CSC3CCCC3)CCC2)cc1	1790487873	OUBYBVUNIMXOJW-SFHVURJKSA-N	408.995	4.814	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3onc4ccccc34)cc2)CCC1	1790907675	YCBPZHAVVPWJIR-QGZVFWFLSA-N	411.889	4.593	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C(C)C)CCC2)CC1	1824617764	DNMAFWNWBGQNLZ-PMACEKPBSA-N	411.030	4.840	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cs1	7157311	ZOWTTZMZEQUUFQ-HUCUOGIVSA-N	416.506	4.612	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)c3cccc(OC)c3)c2)cc1	16390933	CJWMRGDGXLIJKH-DEDYPNTBSA-N	412.445	4.746	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OC(F)F	23723864	WZSOFRDRFVFYFK-MDWZMJQESA-N	422.815	4.813	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2C)c1C	24001444	XWIPXLQXUYPKKB-IOVUBPJKSA-N	407.514	4.609	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1OC	207523065	SEYSSIZEXAVSHK-DHDCSXOGSA-N	416.246	4.951	50	20	HJGD	
O=S(=O)(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(CCCl)cc1	391813265	KSJNQPURLUHLNT-INIZCTEOSA-N	402.368	4.637	50	20	HJGD	
CC(C)n1c(S)nnc1[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	732164837	ARIIULIUAUOHLU-LSDHHAIUSA-N	414.666	4.568	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cnn(C(C)C)c2)c(C)n1-c1ccccc1F	732748902	QQXGUDSSRLXWEH-BCUAHEQISA-N	419.504	4.795	50	20	HJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	732978138	GUJBBIIBISBVOR-UHFFFAOYSA-N	407.257	4.588	50	20	HJGD	
O=C(Nc1cccc(OS(=O)(=O)c2ccc(CCCl)cc2)c1)c1cccs1	734155427	OQJUGILALMJVFN-UHFFFAOYSA-N	421.927	4.549	50	20	HJGD	
CC1(C)Cc2cccc(/C=C(\C#N)C(=O)Nc3nc4ccccc4nc3Cl)c2O1	737442700	DOHXLHZGQVKRLE-XNTDXEJSSA-N	404.857	4.542	50	20	HJGD	
CCOc1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OC1CCCC1	743424637	NHGBTUAPKUKZAX-UHFFFAOYSA-N	416.905	4.589	50	20	HJGD	
O=C(NN=Cc1cccc(OC(F)F)c1)c1cc(-c2ccncc2)nc2ccccc12	747041006	DJUZMLCWDDFIJQ-UHFFFAOYSA-N	418.403	4.662	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2ccc(C(F)(F)F)cc2)nn1-c1ccccc1Cl	747589519	IKLSIDRUJFKNMO-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1	748116993	XAEYQQAZDJFFNX-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	748561627	XJGLJQFRPKLCHS-UHFFFAOYSA-N	417.440	4.818	50	20	HJGD	
O=C(Cc1csc2ccc(Cl)cc12)NNC(=S)Nc1cccc(Cl)c1	752258486	FFMVIUJXQCEEQH-UHFFFAOYSA-N	410.351	4.768	50	20	HJGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1	758418560	PMBANJFVZSJVQO-HLVNSREUSA-N	404.249	4.724	50	20	HJGD	
N#Cc1ccc(NCCNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)nc1	762978093	CJRXARYOFLTOEM-UHFFFAOYSA-N	407.368	4.844	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2c(Cl)cccc2Cl)nn1-c1ccccc1F	763616136	VHGAZKOWCHFOSI-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc3cc(Br)ccc3c2)cc(C#N)n1C	763712599	HCHVTLPWRLIDER-REZTVBANSA-N	419.282	4.667	50	20	HJGD	
CCn1ncc2c(C(=O)NNc3c(F)cccc3Cl)cc(-c3ccccc3)nc21	770197899	XBNVDNPAHWHUQL-UHFFFAOYSA-N	409.852	4.668	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1cccc2c1OCCO2	773654639	CXNFIROQJNJBDV-UHFFFAOYSA-N	424.347	4.692	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(COCC(F)(F)C(F)F)c1	775524385	OWDLQSIBDOGBBV-UHFFFAOYSA-N	422.382	4.800	50	20	HJGD	
C=CCCC[C@@H](C)NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	776084724	VZJURPCVADINEN-QGZVFWFLSA-N	402.498	4.591	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(C3CC3)no2)c(C)n1-c1ccc(F)cc1	782353220	ZBZRCYOOFOLGDN-GZQZNAIASA-N	420.444	4.705	50	20	HJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1OCC	787156371	YUHBVDYSQVUQAP-TYSUYXETSA-N	408.498	4.667	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)ccc1Cl	788604564	DOEFKCIEJPDMER-UHFFFAOYSA-N	404.898	4.790	50	20	HJGD	
COc1cc(NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)ccc1Cl	790186237	GTMLMYQZSAPKNI-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
C[C@@H](CBr)COC(=O)CCc1ccccc1NC(=O)OC(C)(C)C	790747222	USGATGRPDFLGIC-ZDUSSCGKSA-N	400.313	4.540	50	20	HJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	794873005	OFFFCTZLUADWMH-LFIBNONCSA-N	417.843	4.660	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	794899521	JVXWKKRTNVGLPN-UHFFFAOYSA-N	424.671	4.685	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1	799589122	VNKUWJBIFVTEMX-KRWDZBQOSA-N	417.513	4.592	50	20	HJGD	
COc1ccc(Cl)cc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211028	JTJNQBDDHUIDNF-UHFFFAOYSA-N	422.794	4.581	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1	806585948	BPIOJWQSMSSALO-QFIPXVFZSA-N	414.578	4.769	50	20	HJGD	
COCCOCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	809147580	QCMXECLVRKBXHL-SFQUDFHCSA-N	418.465	4.710	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(C)cc1	810201488	ZLVVZGFXPDGOGO-SXGWCWSVSA-N	406.873	4.901	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1	812244517	DCRDWPHLGMRIQU-AQTBWJFISA-N	423.432	4.915	50	20	HJGD	
COC(=O)c1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c(Br)c1	812245982	ABJQGOBRTSHNIB-WUXMJOGZSA-N	411.177	4.714	50	20	HJGD	
COCCC(=O)Nc1ccc(Br)cc1CO[Si](C)(C)C(C)(C)C	821634763	UMQHOQZZABEUNQ-UHFFFAOYSA-N	402.405	4.946	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccccc2F)c(C)n1C[C@@H]1CCCO1	914481680	TUDCWQRLQSXOHQ-BXXLGWGOSA-N	409.505	4.550	50	20	HJGD	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NN(Cc1ccccc1)c1ccccc1	915690177	HGXAMSKJFSIXEV-UHFFFAOYSA-N	414.509	4.631	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C\c3ccc(O)c(Br)c3)nc(O)c2c1C	915853712	MQQRPKAJQNBWMP-WZUFQYTHSA-N	402.273	4.546	50	20	HJGD	
Cn1cccc1C=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	916287273	FMUYDYISAMQOHQ-UHFFFAOYSA-N	406.536	4.691	50	20	HJGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	916336033	TYEDWQFUQZTFSR-LBPRGKRZSA-N	403.866	4.520	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C)CCC2)cc1	1790485474	BTVSHBQUNVIIBJ-LJQANCHMSA-N	414.933	4.525	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2C)CC1	1830641838	QZXLLQRGKJTNMA-VQTJNVASSA-N	404.982	4.554	50	20	HJGD	
O=C([C@@H]1C[C@H]1C1CC1)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124251	UEIAEPHIOUEGPG-LEWJYISDSA-N	423.041	4.986	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1cccc(Br)c1)c1ccccc1Cl	727492999	FREXWWSWHNSEKR-LUAWRHEFSA-N	424.751	4.524	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c2c(c1)C[C@@H](C)O2	727744112	KAAQNEBDBUYDBK-PWDRSIHYSA-N	402.372	4.583	50	20	HJGD	
O=C(NNC(=S)Nc1cc(Cl)cc(Cl)c1)c1c(Cl)cccc1Cl	727783972	XMOAVIHOCGOULZ-UHFFFAOYSA-N	409.125	4.932	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3C(=O)O)c2)cc1	731563834	WCLSMDFDQWBWBV-DEDYPNTBSA-N	412.445	4.818	50	20	HJGD	
N#C/C(=C\c1cccc(OCC(=O)O)c1)c1nc2cc(C(F)(F)F)ccc2s1	733206184	CFRABHREDGMTDN-WUXMJOGZSA-N	404.369	4.843	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCCc2nccs2)c(C)n1-c1ccc(Cl)cc1	733257493	RVUMPURBKSXYLV-QGOAFFKASA-N	424.957	4.860	50	20	HJGD	
CCc1ccc(COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1	735333076	PVUGAQDBQWLBJL-PXLXIMEGSA-N	410.477	4.677	50	20	HJGD	
CC[C@@H](Cc1cccc(Br)c1)C(=O)NNc1ncccc1C(F)(F)F	740096775	VTBFERAOVDICDZ-LBPRGKRZSA-N	416.241	4.575	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)c1ccc2c(c1)OCO2	740765086	PAVUZBYRPXNUCB-NVMNQCDNSA-N	419.868	4.720	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](O)c2ccccc2Cl)c(C)n1CCC(C)C	740928888	MIARZZJPIBAYKI-LPRAYXGFSA-N	413.949	4.561	50	20	HJGD	
CC(C)N1CC[C@H](CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	743359861	YLQIBOYGYUEARY-DOMZBBRYSA-N	409.905	4.758	50	20	HJGD	
C[C@@H](CSc1ccc(F)cc1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748701578	MYZNYOLKSBOPJE-LBPRGKRZSA-N	402.413	4.638	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cccc(-n2nccc2-c2ccccc2)c1	748758775	CLGASNHYMLDZOE-UHFFFAOYSA-N	405.461	4.844	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CCCC2)c(C)n1C[C@@H]1CCCO1	749138363	RJOZVSRCJQDCNH-OBXYEHHASA-N	423.479	4.524	50	20	HJGD	
O=C(NN=Cc1cnc(-c2cccs2)s1)c1ccc(COc2ccccc2)o1	751522505	SZIADHKFSQLAGD-UHFFFAOYSA-N	409.492	4.808	50	20	HJGD	
C[C@H](CNC(=O)NNc1c(Cl)cc(Br)cc1Cl)c1nccs1	758721985	CZAUCMAPGICLHO-SSDOTTSWSA-N	424.151	4.642	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(C(=O)Nc2ccccc2)cc1	759656767	ADBQTBHTOJFAHC-UHFFFAOYSA-N	415.371	4.594	50	20	HJGD	
O=C(NCCc1ccc(F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772806943	HVIIJFRWAISBHE-UHFFFAOYSA-N	412.355	4.781	50	20	HJGD	
O=C(NC[C@H]1CCCCS1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773491174	WPWRPFSOFAAXKB-LLVKDONJSA-N	404.426	4.684	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	775254987	YVRKVIQHTJEXRE-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cncc(Cl)c2Cl)c(C)n1C[C@H]1CCCO1	778076924	IUWOXODCOWNUBD-UBYXTUIOSA-N	419.312	4.531	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(Cl)cn2)c(C)n1C[C@H]1CCCO1	781608719	RUQIEJNMJQEDKI-WPRIWUMLSA-N	413.905	4.544	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1F	787178735	PAVKVMWQQBNTCJ-VBKFSLOCSA-N	404.397	4.878	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	787311516	FJRNSAJGCHUHSC-ODLFYWEKSA-N	413.408	4.528	50	20	HJGD	
COc1cccc(COc2cccc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)c2C)c1	787475187	VQINWJPHOKNHQL-MOSHPQCFSA-N	414.461	4.834	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)ccc1Cl	788612953	KXCRJKMNLFDYKY-UHFFFAOYSA-N	419.909	4.611	50	20	HJGD	
COc1cc(NNC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)ccc1Cl	790178107	VETZFIPLLVYKRD-UHFFFAOYSA-N	408.885	4.953	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NNc1cc([N+](=O)[O-])ccc1Br	800619657	CGIZWHDTNAHEAP-LLVKDONJSA-N	420.354	4.515	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	805459116	HFKLYZIAHSCVOP-UHFFFAOYSA-N	421.482	4.560	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	806246183	SSXPSPZMLAOWEY-UHFFFAOYSA-N	419.441	4.613	50	20	HJGD	
Cn1c(/C(C#N)=C\c2c(Br)cncc2Br)nc2ccccc21	806565174	JDEZCDJOESOKMZ-POHAHGRESA-N	418.092	4.557	50	20	HJGD	
O=C(NN=Cc1ncc(-c2ccccc2)s1)c1ccc(COc2ccccc2)o1	811635342	UUGGDMOKPBOFKK-UHFFFAOYSA-N	403.463	4.746	50	20	HJGD	
COC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)CC1	843816260	CIMVSFNZPJPCCJ-CJLVFECKSA-N	413.521	4.792	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3ccc(C#N)cc3)c2C)cc1	914491568	IGIFEWDRAOTQMC-UCQKPKSFSA-N	424.504	4.540	50	20	HJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1	915855222	CXOAHEBJWUGABW-UYRXBGFRSA-N	409.917	4.846	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1	916605670	IPRBMWSJPKFFIR-WRDGEJPTSA-N	420.509	4.995	50	20	HJGD	
N#CCOc1cccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1	917622590	DKSUVASFRIOSGR-XNTDXEJSSA-N	420.881	4.912	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCn2c(C)nc3ccccc32)c1C	920793831	ZCSPEOPUEXTXKA-RCCKNPSSSA-N	404.514	4.714	50	20	HJGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)cc1	1319024918	KPFHZOZQQLEBDC-NRFANRHFSA-N	423.538	4.614	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc3ccc(C)cc3nc2Cl)cc1	1324407566	JQXCPKBJUPPSGB-CCRNYGKSSA-N	405.885	4.990	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2nc(-c3ccccc3)oc2C(C)C)cc1C	1329765515	FINVMCKABKGEJZ-UHFFFAOYSA-N	408.527	4.713	50	20	HJGD	
Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)s1	1786832275	IVOJXARGZXWQOT-SFHVURJKSA-N	408.926	4.658	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CNc3ccccc3C)cc2)CCC1	1788110069	IKHYKMGAOWLIMO-IBGZPJMESA-N	413.949	4.558	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nc(C)c(C)s3)CCC2)cc1	1790486582	GSDSCLVSQMNULJ-MRXNPFEDSA-N	405.951	4.525	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)CC1	1823718880	WDFAYQLJKVMJSX-LOVRKWTRSA-N	423.022	4.789	50	20	HJGD	
Cc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1825780876	FVIHAMDUDNMVFE-KRWDZBQOSA-N	411.011	4.555	50	20	HJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNC(=S)Nc3ccc(C)c(C)c3)c2c1	6967063	NKNDQEBTDJODSS-UHFFFAOYSA-N	404.539	4.669	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(CSC(F)F)o2)c1C	211698361	QAYSFOPVEQUORZ-GHXNOFRVSA-N	408.426	4.647	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@@H](c1ccccc1)c1ccc(F)cc1	726706416	KRFAZFDQZJXJPP-IBGZPJMESA-N	401.388	4.843	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(-c2cccc(Cl)c2)on1	727171485	HVUJWAUXYNSYDZ-UHFFFAOYSA-N	414.918	4.750	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)o1	730215298	DVOYILLITRLQFB-UHFFFAOYSA-N	418.425	4.756	50	20	HJGD	
CCOc1ccc(-c2nc(NC(=O)c3c(C)nn(CCCl)c3C)sc2C)cc1	733873042	CQYXAEISARHNFQ-UHFFFAOYSA-N	418.950	4.822	50	20	HJGD	
CCc1ccc(-c2ccc(C(=O)NNc3nc(-c4ccccn4)nc(C)c3C)o2)cc1	743413971	HSHXOQIXKSIFEU-UHFFFAOYSA-N	413.481	4.735	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3cccc(C#N)c3)c2C)cc1	743777888	ZBXIEWIASVPHLE-NLKUQUHMSA-N	424.504	4.759	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(n3cccn3)CC2)c(C)n1C1CCCCC1	743982298	CVKPXYTZLFDSMY-LTGZKZEYSA-N	405.546	4.577	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	748217711	QQIMCPOVGOJUFS-NWDGAFQWSA-N	403.429	4.907	50	20	HJGD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	751540673	MTFLDIMBDBJADV-UHFFFAOYSA-N	412.755	4.814	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(-c3ccccc3)no2)c1C	753041464	HUEYSLRICOMYMV-VJOZSWGJSA-N	404.470	4.776	50	20	HJGD	
COc1cc(C(=O)NN=Cc2cc(C(F)(F)F)ccc2Cl)ccc1OC(C)C	753689730	GJGLSHWTZSVHPP-UHFFFAOYSA-N	414.811	4.919	50	20	HJGD	
O=C(NNC(=O)c1ccncc1)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1	755434397	PBTSFVNGANLHGK-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)c2cccnc12)c1cc(F)ccc1Br	760252500	HCWDTUVMGDYTEC-UHFFFAOYSA-N	406.642	4.554	50	20	HJGD	
Cc1nc([C@@H]2COCCN2C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)no1	762967265	ZSQNXCQGWCMGME-LBPRGKRZSA-N	414.356	4.641	50	20	HJGD	
O=C(CSCC(=O)c1ccc(Cl)cc1)NNc1c(Cl)cccc1Cl	763611183	UTWZUVKIUWKZAQ-UHFFFAOYSA-N	403.718	4.706	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2ncnc3ccsc23)cc1OCC	766673831	JIKIPRXQQIWCFB-UHFFFAOYSA-N	420.922	4.679	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])c1	768329066	NWUFEALADRQUFB-UHFFFAOYSA-N	414.421	4.576	50	20	HJGD	
Cc1c(Cl)cc(NC(=O)C(=O)NNc2c(Cl)cccc2Cl)cc1Cl	773696474	BOCABFDWSXVJJD-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1ccccc1SCc1ccccc1	773729145	LCAWHEDJHCSGRG-UHFFFAOYSA-N	411.914	4.714	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)[C@H](Sc1ccccc1F)c1ccccc1	774791262	ZWKIAKUMEUIWNJ-OAQYLSRUSA-N	404.470	4.746	50	20	HJGD	
CCc1ccccc1COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	782234272	OECQHBIOJPMKOQ-PXLXIMEGSA-N	410.477	4.677	50	20	HJGD	
Cc1cc(C(N)=O)ccc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782910096	GKRDHMRIMLXHDO-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
COC(=O)c1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)s1	782929116	FPZVOHZKGKXREN-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
C[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978764	DZVFQWSIGQCUKE-CYBMUJFWSA-N	422.485	4.887	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2cccc(Cl)c2Oc2cccnc2)c(C)c1	783366235	AABSNUZNQYFOBC-UHFFFAOYSA-N	424.888	4.534	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1	790585087	BDIKFGQMQZALRY-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1cccc([N+](=O)[O-])c1	797948396	RBZRXTBVUIBWEQ-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2ccc3oc(=O)oc3c2)c(C)n1C1CCCCC1	799418267	DUYUDEDFDAERHY-BOPFTXTBSA-N	406.438	4.822	50	20	HJGD	
O=C(NNc1ncccc1F)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	804213202	MLDYERYTJUYBGY-UHFFFAOYSA-N	418.837	4.690	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc(Br)c1O	810217790	KREQJLKNNSNXSD-MLPAPPSSSA-N	406.663	4.997	50	20	HJGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)c1ccc(F)cc1Br	814218554	OTKNAYPMHRJJRX-NJXMTWLRSA-N	405.267	4.554	50	20	HJGD	
CS(=O)(=O)CC1CCC(Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	815610172	DAHJOCNYSSKYBE-KOHJWAIASA-N	415.930	4.921	50	20	HJGD	
N#C/C(=C/c1ccc(-n2cncn2)cc1)C(=O)Nc1ccccc1Oc1ccccc1	844153011	VNVMWXIKRSWYCD-RGEXLXHISA-N	407.433	4.605	50	20	HJGD	
CCCCc1noc(COC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	912621723	NHNWPHXLIUTLDQ-UYRXBGFRSA-N	410.518	4.986	50	20	HJGD	
C[C@@H]1CN(C(=O)c2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2)C[C@@H](C)O1	918676094	KFIAUMITPJMLHO-GPMSIDNRSA-N	422.616	4.589	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(CCC(=O)N2CCCC2)cc1	919887989	KLVKKHZKENZIQX-IBGZPJMESA-N	406.617	4.894	50	20	HJGD	
CCCOc1ccc(COC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	920142052	NWLDJAHBBQCXHP-MGSPXPDISA-N	422.525	4.723	50	20	HJGD	
CCOc1ccc(C(=O)NN=C(C)CCc2cccc(C(F)(F)F)c2)cc1OC	920366787	YZDBDCRCRHSOFX-UHFFFAOYSA-N	408.420	4.851	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3)c2Cl)n1	920388177	SVCLADJCLFJFAJ-WQLSENKSSA-N	416.865	4.671	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNC(=O)Cc1ccc(Cl)cc1)oc1ccccc12	920931991	MUXKSNVQQUKWIO-UHFFFAOYSA-N	423.856	4.643	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCCO2)C(=O)c1c[nH]c2ccccc12	921259262	LEILJLFSRGLEHI-ZSOIEALJSA-N	423.266	4.882	50	20	HJGD	
CC(C)n1ncc2c1[C@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)CCC2	1320261451	SWGMCYYQUWFXSJ-JOCHJYFZSA-N	403.530	4.762	50	20	HJGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc(OCC(=O)Nc2ccccc2)cc1	1328384501	MRIQEVIPKFTKRT-UHFFFAOYSA-N	421.884	4.512	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncccc4c3)CCC2)cc1	1790486568	DPCNVHHBJIKSGG-HXUWFJFHSA-N	421.928	5.000	50	20	HJGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl)[C@H]1C[C@@H]1F	1800012172	HMAOYCRAHSBGLW-WPVAHCMFSA-N	414.993	4.732	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1	1815320815	JRAWFDHSXMTUFY-DOTOQJQBSA-N	423.344	4.777	50	20	HJGD	
O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[nH]n1)[C@H](F)Cl	1818039249	OKSVWTJLSFVFMO-DONWEKBKSA-N	424.948	4.543	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2C)CC1	1830314952	QVHKYDYIMUHYTH-NHCUHLMSSA-N	404.982	4.554	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccccc3[N+](=O)[O-])c3c(C)noc3n2)c(C)s1	14217534	ACKUQSSFUFYITQ-UHFFFAOYSA-N	423.454	4.542	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3)c(C)c2)c1C	25972513	WKCJJHIDLZFRTL-KWJZBXMYSA-N	420.557	4.767	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	33362184	DQPBZSZSKUSVOY-NVNXTCNLSA-N	415.287	4.629	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NNc3ccc(F)cc3)cc12	301240321	NCLCPYLOJGLDRS-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
COc1cccc([C@H](CNC(=O)CCCC[C@@H]2CCSS2)N2CCCC2)c1	302711232	SMTDMOBKWNHGQK-UXHICEINSA-N	408.633	4.662	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1nc(C2CC2)n(-c2ccccc2Cl)n1	303046231	UHTKIHBGZAMOPY-UHFFFAOYSA-N	421.810	4.574	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc(C#N)n1C	728025768	LNJFCELGWBXYPV-OJSPLJLUSA-N	409.493	4.924	50	20	HJGD	
O=C(CCCCCC(=O)NNc1cccc(Cl)c1)NNc1cccc(Cl)c1	729838018	LDWRHDVKPQPSCX-UHFFFAOYSA-N	409.317	4.530	50	20	HJGD	
COc1cc(C=NNC(=O)C2CCC2)ccc1OCc1cccc(C(F)(F)F)c1	731934008	QOENFYNMBDJWDH-UHFFFAOYSA-N	406.404	4.543	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C1CCC1	731936417	WQYZQPBCBFSANM-UHFFFAOYSA-N	423.314	4.552	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1cc(-c2ccccc2)ccc1Cl	732834331	HKNHLXPNWKNVTG-UHFFFAOYSA-N	402.679	4.921	50	20	HJGD	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	733771692	RKOWDQFXWHTRJP-GSFLASDGSA-N	418.541	4.665	50	20	HJGD	
Cc1sc(=O)n(CCC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1C	734317403	UZXNXVZBIOKNLZ-AWEZNQCLSA-N	424.897	4.775	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC3(CCCC3)CC2)c(-c2ccccc2)n1	737989051	KBNJXZPKBZQEHZ-HEHNFIMWSA-N	413.525	4.554	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(F)c(C(F)(F)F)c1	741978806	QYTYDYHMWSZCSR-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)NNc2cccc([N+](=O)[O-])c2C)cc1	745856739	KSAPCTCVXHMATD-MRXNPFEDSA-N	420.469	4.966	50	20	HJGD	
O=C(NNC(=O)c1ccccc1SCc1cccs1)c1ccc(Cl)cc1F	747329528	NURVFTBHNZFECT-UHFFFAOYSA-N	420.918	4.908	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c1	748362786	UNPUJRRCLYXPQX-UHFFFAOYSA-N	400.548	4.572	50	20	HJGD	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNC(=O)CCc5ccccc5)(C4)C2)C3)cc1	749802435	DLGHVMUBMQEDDO-AZZUFQGZSA-N	416.565	4.613	50	20	HJGD	
C[C@@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)NNc3cccnn3)c2C1	753090474	JPQUZPUACVNKGT-KAKMCVKYSA-N	421.504	4.905	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(/C#N)c2cc(SC)ncn2)cc1OC	773172365	NATMZMASQUSDCT-MLPAPPSSSA-N	418.316	4.599	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCC[C@@H](OC(F)F)C1	773487185	FJAGCGIEOAPKON-SNVBAGLBSA-N	424.338	4.513	50	20	HJGD	
O=C(NNc1c(F)cccc1F)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	775623583	MFWBKKBQWLWQJQ-GDLZYMKVSA-N	415.465	4.562	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(C3CC3)cs2)c1C	781178674	DPYKJKRNOVCCNG-SYYUJBFQSA-N	413.543	4.858	50	20	HJGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1	784769660	JAIWUMVRZPKSKN-UHFFFAOYSA-N	422.897	4.699	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cccc(OCc2cccc(Cl)c2)c1	790588180	CVBACIIFUGSASV-UHFFFAOYSA-N	415.808	4.723	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl	792360147	YLRNVXPYGCRYGH-UHFFFAOYSA-N	416.868	4.637	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)Nc1ccc(-c2ccc(Cl)s2)nc1	801909299	AOJHBBXHRCWJHJ-UHFFFAOYSA-N	424.711	4.770	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3C)cc2)cs1	805385942	BDKDEAHNRHRCLC-UHFFFAOYSA-N	414.512	4.717	50	20	HJGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)Nc4ccccc4S[C@@H](Cl)C(F)(F)F)[C@@H]1[C@H]3C2	806184209	VQRGKZAHHDKXHO-MFNSIADZSA-N	420.884	4.793	50	20	HJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2	811687211	MAGRTJQQPWXPQH-DGIOSINNSA-N	412.392	4.551	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1C	813218844	UBOBNFZQVUYVND-WBNHJWIASA-N	400.404	4.712	50	20	HJGD	
COc1ccc(NC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC	814484584	UQYUXUSVIXXHBU-UHFFFAOYSA-N	423.313	4.890	50	20	HJGD	
O=C(CCCc1cccs1)Nc1cccc(C(=O)NNc2cccc(Cl)n2)c1	817005011	AGZXUDXFKXWVJM-UHFFFAOYSA-N	414.918	4.515	50	20	HJGD	
Cc1ccccc1-c1noc(COC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)n1	849205439	GVBHMJQPRGEDHW-JAIQZWGSSA-N	418.497	4.770	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1	898462628	RTBNKRPSGCUPNM-QDUHJBTASA-N	423.582	4.643	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1C	902588805	QFDJLVLATXIXHL-RGEXLXHISA-N	419.529	4.735	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCc3nc(O)ccc32)c(C)n1C1CCCCC1	904159143	LLWCNEDNFJGQLA-YHSGTQGLSA-N	418.541	4.812	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCc2nccn2C(F)F)c1C	913041709	WSIKRZYSHZRAJR-WOJGMQOQSA-N	410.424	4.645	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2csc(Br)c2)c1C	915182693	DFXTXAKOTZTTOD-LZYBPNLTSA-N	406.349	4.562	50	20	HJGD	
Cc1cn2c(/C=C(/C#N)C(=O)c3cc(C)n(CC(F)(F)F)c3C)c(C)nc2s1	915989736	LVYBCHJPUAGPTA-NSIKDUERSA-N	406.433	4.783	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cc3c4ccccc4n(C)c3s2)cc1C	916121710	KHYSOIGYDCVYDG-UHFFFAOYSA-N	408.552	4.641	50	20	HJGD	
O=C(NCc1cccc(OCc2ccccn2)c1)NNc1ccc(Cl)cc1Cl	916387195	HBKXEWVABZSRIQ-UHFFFAOYSA-N	417.296	4.794	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1	916409209	YMLUDASDVWAZJJ-HNNXBMFYSA-N	400.693	4.742	50	20	HJGD	
COc1ccc2cc(C=NNC(=O)c3ccc(F)cc3Br)ccc2c1	917552363	GDMXKIORECJHAD-UHFFFAOYSA-N	401.235	4.514	50	20	HJGD	
COc1cc(C=NNC(=O)c2cc3c(s2)CCC3)ccc1OCc1cccs1	917572151	ROBAULSOZSBHNB-UHFFFAOYSA-N	412.536	4.650	50	20	HJGD	
Cc1ccc(OCc2nc(C=NNC(=O)c3ccc4ccccc4c3)cs2)cc1	920375127	PMAUYELLYNEJKT-UHFFFAOYSA-N	401.491	4.948	50	20	HJGD	
O=C(NC1CC1)[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	1116756593	OIMKWHBHJUQTLC-LLVKDONJSA-N	413.412	4.867	50	20	HJGD	
COc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3ccccc3Cl)s2)cc1	1330235984	AYPGHJWJNQJASZ-UHFFFAOYSA-N	421.309	4.966	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)CCC1	1785965010	KTMOKRCHNIHZCN-KRWDZBQOSA-N	415.921	4.707	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)C3(C)CCCC3)CCC2)cc1	1786065492	HQQJTPYLRODRHK-OAHLLOKOSA-N	421.379	4.732	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)no3)cc2)CCC1	1790161262	WYVVOVFZNDVVSB-QGZVFWFLSA-N	417.937	4.953	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824013705	QILOBFJZSSYTBF-UXHICEINSA-N	409.014	4.640	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1	1830314328	DWNSJKBDMJNUGT-RQOSSDEQSA-N	409.014	4.594	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2C)CC1	1830640625	YWUQQHDTQCFRST-NHCUHLMSSA-N	419.009	4.944	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(C)c1OCc1ccccn1	36832218	XVOYOFJPLVBRLA-CPNJWEJPSA-N	401.441	4.962	50	20	HJGD	
CC(C)(C)c1ccc(OCCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	303185103	LISHWLIPGHOBJS-UHFFFAOYSA-N	423.340	4.911	50	20	HJGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	727060930	ADQGUJKNVHGDCW-GZTJUZNOSA-N	419.308	4.632	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)/C=C/c2cccc(OC3CCCC3)c2)cc1C	727864351	HLWZFOUDKOFKJG-ACCUITESSA-N	409.555	4.656	50	20	HJGD	
CC(C)(C)CC(=O)NN=Cc1c(-c2ccc(Br)s2)nc2ccccn12	728428580	BSRDTKNFAHDPGY-UHFFFAOYSA-N	419.348	4.712	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3ccc4c(c3)OCO4)n2)cc1	728438267	RJUKUECRIOMYME-CXUHLZMHSA-N	403.463	4.647	50	20	HJGD	
O=C(NN=Cc1cnc(-c2ccccc2)s1)c1ccc(Br)cc1Cl	728782435	MZNYZQDQERDHPU-UHFFFAOYSA-N	420.719	4.990	50	20	HJGD	
C[C@H](SCc1ccc(Br)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1	729286783	ZNVSQKWYUYJRGU-LBPRGKRZSA-N	414.328	4.913	50	20	HJGD	
CC(=O)Nc1cc(Cl)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	729954083	UDDXWTDELMAERZ-NVMNQCDNSA-N	412.921	4.918	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1O	730151832	ZOVQCQBHHPVKJC-WMZJFQQLSA-N	405.248	4.976	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3cnn(C(C)C)c3)c2C)c1	732748964	RTSBKJPMMGTBML-JJUBJSHISA-N	415.541	4.964	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)-c1ccccc1C2	732977624	URQYYPVFWIQFLD-UHFFFAOYSA-N	402.841	4.718	50	20	HJGD	
CCc1nc(COc2ccc(C(=O)NN(c3ccccc3)c3ccccc3)cc2)no1	734312474	GNWZUOLHOPRZNP-UHFFFAOYSA-N	414.465	4.694	50	20	HJGD	
Cc1cccc([C@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1C	734470042	VAOGGAUNJPSBHL-QCBCRBAMSA-N	423.520	4.865	50	20	HJGD	
Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(CCCCl)cc1	736421538	WDBUOWFPLXEPQI-UHFFFAOYSA-N	403.287	4.529	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccccc1[N+](=O)[O-])c(C)n2C1CCCC1	741659992	VERJMLQQYPZTGT-UHFFFAOYSA-N	408.458	4.739	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1c(F)cc(F)cc1F	742005227	PFXAWLKOHCSVCM-UHFFFAOYSA-N	414.008	4.930	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc(N)nc(Nc2ccccc2)n1	742575803	MVJFHYLSTWELMO-KPKJPENVSA-N	413.268	4.577	50	20	HJGD	
Cc1ccc(C(N)=O)cc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	746374974	QQTYWEKGPFUVAZ-UDWIEESQSA-N	404.514	4.563	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)c1cccc(F)c1	746424704	DPUNGYATGJGLJT-MRXNPFEDSA-N	419.456	4.555	50	20	HJGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)c1sc(-c2cccnc2)nc1C	747610472	LCJMEJDKMQBNER-UHFFFAOYSA-N	414.531	4.675	50	20	HJGD	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748696024	WTIYTQHMBIBHOO-LLVKDONJSA-N	422.325	4.557	50	20	HJGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)[nH]1	751513963	UKUZSBBYQBVNAR-BOPFTXTBSA-N	421.884	4.711	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1	751787849	ASOPHPGWDVQISJ-SDXDJHTJSA-N	406.461	4.779	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1	752056543	FQJBEUYEIIZEID-VBKFSLOCSA-N	411.864	4.651	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1ccc(-c2ccccc2)nn1	754466940	AQWIUFUPNDFSBF-UHFFFAOYSA-N	421.913	4.986	50	20	HJGD	
C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NNc3cccc(Cl)c3)c2)C1	773728900	DQAMJQAYCRCPDD-FOIQADDNSA-N	415.921	4.517	50	20	HJGD	
Cc1cnc(Br)cc1NC(=O)NN(Cc1ccccc1)c1ccccc1	776046394	STNJLUUUCPKQJA-UHFFFAOYSA-N	411.303	4.896	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3sc(C)nc3-c3ccccc3)c(C)cc2c1	778479214	RGVUIBRXRHRUML-UHFFFAOYSA-N	404.495	4.741	50	20	HJGD	
CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)CCCCCl	780807569	VILCRIRUVOGUNW-NRFANRHFSA-N	408.995	4.965	50	20	HJGD	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)NNc3ncncc3Cl)o2)cc1	781805167	OJMAVVWAQCIJCN-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
Cc1cc2c(cc1NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)OCO2	784773751	ADMHAPAIYRWYPS-UHFFFAOYSA-N	424.347	4.958	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)N1c2ccccc2CCc2ccccc21	785378905	UPFFKIOSHXQSRB-JWGURIENSA-N	408.457	4.600	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1	787579767	AVRAHYMULAJYGS-GHXNOFRVSA-N	412.314	4.601	50	20	HJGD	
N#C/C(=C\c1cccc(I)c1)c1nc(-c2ccncc2)cs1	789129584	WBOZLAVNLKFBLO-RIYZIHGNSA-N	415.259	4.874	50	20	HJGD	
Cc1cccc2c1OCC[C@H]2OC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	789493205	IEAPVGPKLCFNEY-OHTJAAIASA-N	420.509	4.566	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)ccc1Cl	790180147	HBXYMCDQRNQAOH-UHFFFAOYSA-N	410.861	4.750	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])/C(=C\c1ccc(F)cc1)c1cccs1	791149217	BDBWYIOOHJTBOL-KAMYIIQDSA-N	401.394	4.618	50	20	HJGD	
N#C/C(=C/c1ncc(I)s1)c1nc(-c2ccccc2)cs1	794700615	WURIECDFDRGGDL-WDZFZDKYSA-N	421.288	4.935	50	20	HJGD	
O=C(NNc1ncccc1F)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1	804219811	HOJPUZBSDAQMNX-UHFFFAOYSA-N	418.837	4.690	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2sc3ccc(Br)cc3c2C)c1	816017155	RYCFKJWSNSKPRG-UHFFFAOYSA-N	419.300	4.516	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3cccc(Cl)n3)c2)cc1	817006151	YABWEVUTURKMTM-UHFFFAOYSA-N	423.900	4.593	50	20	HJGD	
O=C(CSCc1cscn1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817013867	GZVICFSYWWPHSJ-UHFFFAOYSA-N	415.384	4.557	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(F)cc2F)ccc1OCc1ccccc1Cl	876988776	KWTPOTXPWBXOQP-UHFFFAOYSA-N	418.827	4.963	50	20	HJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cc(C#N)n(C)c3C)n2)cc1C	900836063	NUJZQVJVQLTKCX-QGMBQPNBSA-N	415.522	4.800	50	20	HJGD	
O=C(NN=Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(O)cc1	916264155	ZQZRFFASTRAYPL-UHFFFAOYSA-N	411.801	4.510	50	20	HJGD	
Cc1cccc2cc(C=NNC(=O)c3ccc(Br)s3)c(Cl)nc12	916356523	GIUSKZWPTDRKPZ-UHFFFAOYSA-N	408.708	4.785	50	20	HJGD	
O=C(NN=Cc1cnc(-c2ccccc2)nc1)c1cc(-c2ccco2)nc2ccccc12	917538809	PWPFGOKPCRXJQH-UHFFFAOYSA-N	419.444	4.716	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2c(F)cccc2F)c(C)n1C[C@H]1CCCO1	918952824	LLWRUNGMXIEFOI-AZPZLGTESA-N	414.452	4.774	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(OCCc3ccccc3)CC2)c1C	921288804	UHTZDJFPLSDQMC-HKOYGPOVSA-N	419.569	4.672	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ncc(F)cc3F)cc2)CCC1	1786532697	NPRYWEOFUNBGTI-INIZCTEOSA-N	421.875	4.515	50	20	HJGD	
C[C@@H](Cc1ccccc1)C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788587970	RUEFFELGUYJRKD-KXBFYZLASA-N	402.897	4.534	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](OC)c3ccccc3)CCC2)cc1	1790485954	OZMAFQKUGAIAGF-PMACEKPBSA-N	414.933	4.526	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1	1825856623	HZEFUVFWDQEDTL-GJZGRUSLSA-N	417.402	4.652	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1	1830309398	IPQKCNCRBZZFPA-RTWAWAEBSA-N	404.982	4.554	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1	1830309399	IPQKCNCRBZZFPA-SFTDATJTSA-N	404.982	4.554	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc2nc(N3CCOCC3)sc2c1	22699842	BMUBUTMHRLDTBT-OAHLLOKOSA-N	423.629	4.786	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc3cc(OC)ccc3c2)c1C	211697938	JYOWRSXVYZCWGC-ODLFYWEKSA-N	402.450	4.760	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CCc1ccc(-c2ccccc2)[nH]1	727172546	JJQRZHFFKAJIAC-UHFFFAOYSA-N	406.555	4.756	50	20	HJGD	
N#Cc1ccc(OC(F)F)c(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	728126225	RMOVKNRAKZWMLR-UHFFFAOYSA-N	408.408	4.903	50	20	HJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)cc1F	739423943	GGPJQOXFTXIONJ-PTNGSMBKSA-N	416.294	4.980	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CC(F)(F)F)cc2)c1C	741594782	RHSZMRZUYFSFHZ-GDXCHIGESA-N	419.447	4.963	50	20	HJGD	
O=C(NNC(=O)c1ccc(Br)s1)Nc1ccc(-c2ccccc2)cc1	743805709	LXMROYJLKSYPJK-UHFFFAOYSA-N	416.300	4.644	50	20	HJGD	
N#C/C(=C/c1cccc(-c2ccccn2)c1)C(=O)Nc1nc(-c2ccncc2)cs1	747691518	VXZVFNRROFIXFW-UYRXBGFRSA-N	409.474	4.813	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccccc2Cl)cnn1-c1ccc(C(F)(F)F)cn1	748306100	KPFUUGHDDWWSRP-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
CCOc1cc(C(=O)NNc2ccc(F)cc2C)ccc1OCCOc1ccccc1	748560731	DQHSZEBUKNADDK-UHFFFAOYSA-N	424.472	4.748	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CCc2ccncc2)c(C)n1-c1ccc(Cl)cc1	748727197	CKBBYRVMMQLIDE-QNGOZBTKSA-N	418.928	4.751	50	20	HJGD	
CC(C)(C=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)CCC#N	755480319	FFAWZERDMFVHBM-UHFFFAOYSA-N	405.527	4.901	50	20	HJGD	
O=C(NN=c1cc[nH]cc1Cl)c1sc2cc(C(F)(F)F)ccc2c1Cl	757406609	SCIUVGPCSHRTSB-UHFFFAOYSA-N	406.216	4.801	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2cccc(Br)c2)c1-c1ccccc1	760459263	HAKJTBOZTQBOCU-UHFFFAOYSA-N	413.319	4.726	50	20	HJGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)C(=O)Nc1nc(-c2ccncc2)cs1	761393587	RXKORTCQUWQUPL-XFFZJAGNSA-N	406.414	4.831	50	20	HJGD	
Cc1ccccc1Cn1c(NC(=O)c2c(C)nn(CCCl)c2C)nc2ccccc21	770888496	YIELKKLYVXBGFV-UHFFFAOYSA-N	421.932	4.697	50	20	HJGD	
Cc1nc([C@H](NC(=O)CCCC[C@H]2CCSS2)c2ccc(Cl)cc2)no1	771285822	ZMRJAJCXDYSKCT-DOTOQJQBSA-N	411.980	4.951	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	774133164	BGBVVNMAYAWLGH-MDWZMJQESA-N	412.269	4.716	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](CO)c2ccc(F)cc2)c(C)n1C1CCCCC1	778513152	YHVSRIFKINHNHC-BXDIUNCMSA-N	409.505	4.506	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1	781824349	QFCXJKPQIIKQDE-UHFFFAOYSA-N	414.796	4.514	50	20	HJGD	
CN(C1CCC(CO)CC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782987461	LHRCHWDKSQWSAK-UHFFFAOYSA-N	409.442	4.516	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1	785337533	OZSUQBWYJWOLEF-OVCLIPMQSA-N	410.342	4.788	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]	787461504	NBJJSZRTBAVHSS-UHFFFAOYSA-N	417.465	4.810	50	20	HJGD	
Cc1cccnc1NNC(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc12	791214462	GYTNZBOFYKYKJC-UHFFFAOYSA-N	411.303	4.643	50	20	HJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3c(F)cccc3F)s2)cc1	792259681	ROMLSEJYFPJHHI-UHFFFAOYSA-N	403.454	4.806	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(F)c(Br)c(Cl)c1	803119098	PAVALMMYZJYTJB-UHFFFAOYSA-N	413.461	4.700	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccccc1F	804207419	PUACJOLRXHOJJU-LBPRGKRZSA-N	404.367	4.548	50	20	HJGD	
CC(C)c1scnc1NC(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	808912998	FDPUUBHCLWRESO-UHFFFAOYSA-N	422.436	4.891	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cnc2c(F)ccc(F)c2c1	815855774	HKUOLNVPSFJUKQ-UHFFFAOYSA-N	412.621	4.686	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncsc1C(F)(F)F	817014198	WMQVNNHGIYDMKZ-UHFFFAOYSA-N	423.260	4.956	50	20	HJGD	
COc1cccc(-c2nc(C=NNC(=O)CSc3ccc(Cl)cc3)cs2)c1	916273385	AMJHWEQPJQPOLT-UHFFFAOYSA-N	417.943	4.715	50	20	HJGD	
COc1cc(C(=O)NN=C(C)c2cc3c(ccc4ccccc43)o2)cc(OC)c1OC	916290306	KRBYTCPPLBGOMX-UHFFFAOYSA-N	418.449	4.766	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(F)c(F)c2)c1C	918817157	ADNHKLVZAJJSOY-NWYKZCAJSA-N	402.441	4.802	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3nc(C)c(C)o3)c2C)cc1	920263055	BFSRBQKPACZUGF-UDWIEESQSA-N	419.481	4.748	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cccc(OCc3cccc(C#N)c3)c2)n1	920386810	FNKMEYJHQKKZMU-GRSHGNNSSA-N	415.474	4.835	50	20	HJGD	
C[C@@H](CBr)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1	1787655686	MWELBKOYWREARD-AWEZNQCLSA-N	409.368	4.588	50	20	HJGD	
C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccccc1	1791337248	BSHXYGSVTMOITB-FOIQADDNSA-N	402.897	4.849	50	20	HJGD	
Cc1ccsc1C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Br)cc2)CCC1	1791433241	QRWWWWCZQXKNMW-CYBMUJFWSA-N	421.360	4.588	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1815322280	NMZCJSWPYKDFJI-FJHQEINZSA-N	420.985	4.946	50	20	HJGD	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)Cc1nc(-c3ccccc3)cs1)C(O)=N2	7766495	NNPQUTVTTZRJLN-UHFFFAOYSA-N	404.495	4.598	50	20	HJGD	
COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	33410111	AJXIWGXOXWOFCK-QCDXTXTGSA-N	407.253	4.565	50	20	HJGD	
Cc1c(-c2ccccc2)oc2c(C(=O)NNc3ccc(F)c(F)c3F)cccc2c1=O	110782165	XVBBBKZJDYOPJC-UHFFFAOYSA-N	424.378	4.943	50	20	HJGD	
O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)NNc1ccc(OC(F)F)cc1	727609126	HEGKVZVUNJGBIV-UHFFFAOYSA-N	415.362	4.665	50	20	HJGD	
CC[C@@H](Cc1ccccc1)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	727810208	PRBPMXOIOGBFID-INOOMSPWSA-N	423.520	4.508	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cccc(OCc2ccccc2C(=O)O)c1)c1ccccc1	732716043	GSYQBKHXZJQWSG-XSFVSMFZSA-N	412.445	4.534	50	20	HJGD	
COc1ccccc1-c1cc(C(=O)NNc2ccc(Br)cc2Cl)no1	733807911	OXGYYIYOZDZPJL-UHFFFAOYSA-N	422.666	4.523	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NNc3c(F)cccc3F)cc12	735698760	UTYGHVFSOLBICO-UHFFFAOYSA-N	416.428	4.629	50	20	HJGD	
CN(C)c1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1F	742006571	RSMKCPPXETXUNI-UHFFFAOYSA-N	421.097	4.718	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl	742035206	CCBPOKVIWDQICW-UONOGXRCSA-N	418.107	4.865	50	20	HJGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(C)c1	743764927	UPBPRHAVTZAUJP-NRFANRHFSA-N	415.537	4.761	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1	746059500	KUNQEKZJRAEGST-ATTDUZETSA-N	409.829	4.610	50	20	HJGD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)NNc3ccc(Cl)c(F)c3)c12	746700674	NHMNIKOQYRKVQL-UHFFFAOYSA-N	414.824	4.985	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746895933	LJTNYKZVMGWZLI-UHFFFAOYSA-N	420.391	4.905	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc(OC)c1O	747034776	XQXOEFQBAHLKQK-RQZCQDPDSA-N	418.415	4.900	50	20	HJGD	
COc1ccc(Br)c(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)c1	747695288	JOSUVTHKSUPLFC-SDQBBNPISA-N	416.300	4.849	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12	748548653	FDMXCILEIWUIDT-UHFFFAOYSA-N	402.425	4.973	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2	753169027	NFQSXWSXFATBFX-UHFFFAOYSA-N	418.335	4.560	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1ccc(CSc2nc3ccccc3[nH]2)cc1	754485411	KFJBYNUTPVLMBJ-UHFFFAOYSA-N	409.902	4.661	50	20	HJGD	
Cc1noc(C)c1CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	756136533	AJUCJQZQOKOEKU-UNOMPAQXSA-N	407.445	4.531	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCCC2)nc1)C(=O)Nc1ccc(SC(F)F)cc1	758416208	QHIFRCBQRQPBLG-RVDMUPIBSA-N	400.454	4.542	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)c1	758927157	JFOAFUFHFVGPSZ-YDDPGSGASA-N	403.438	4.573	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3cccnc3)nc2)c(C)n1CC(C)C	760785112	LUIZZFBTPYDFDT-JAIQZWGSSA-N	415.497	4.889	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)C[C@@H](O)c2ccco2)c(C)n1C1CCCCC1	761861900	QXFKGADGTNVCFB-VCVQZHECSA-N	409.530	4.739	50	20	HJGD	
COC(C)(C)C[C@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762666217	OGSDWSXCXMETDB-JTQLQIEISA-N	404.401	4.602	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2cccnc2)c1	766485545	SWVGUHJCKYNZQH-MTJSOVHGSA-N	413.477	4.832	50	20	HJGD	
O=C1CC[C@@H]2CN(CCP(=O)(c3ccccc3)c3ccccc3)c3cccc1c32	767032525	NRQMTULPKZISLT-LJQANCHMSA-N	401.446	4.581	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2[N+](=O)[O-])c(C)c1	767716581	DSGWIWGAVZVQHD-OVCLIPMQSA-N	414.259	4.828	50	20	HJGD	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NNC(=O)c1cccc2ccccc12	767815709	ZTNHLNYRNNOFEK-IBGZPJMESA-N	415.415	4.786	50	20	HJGD	
COc1ccc(NNC(=O)c2sc3cc(Cl)ccc3c2Cl)c([N+](=O)[O-])c1	768332762	UJBWNSQDIUKLTF-UHFFFAOYSA-N	412.254	4.882	50	20	HJGD	
COc1cc(/C(C#N)=C/c2c(C)nn(Cc3ccccc3)c2Cl)ccc1[N+](=O)[O-]	774558360	BICITPWLAQAAOB-LICLKQGHSA-N	408.845	4.874	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1	775556425	MFXNPYMPYNTWDG-INIZCTEOSA-N	412.877	4.595	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc3cnccc23)nn1-c1ccc(Cl)cc1Cl	776485951	BTSZHHBOUGXQMV-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
CC[C@@H](C)C[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)O	776614779	IYGLLIQINFWOKS-SKDRFNHKSA-N	411.414	4.512	50	20	HJGD	
CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(CCCCl)cc2)c1	794593982	APDWFQGKIGMWSU-UHFFFAOYSA-N	400.327	4.905	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1ncnc2ccsc12	797742432	IALKVOXMXCXBKR-UHFFFAOYSA-N	420.281	4.718	50	20	HJGD	
CC(C)[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	815094008	XUBLMACPNXTXBE-HNNXBMFYSA-N	423.469	4.763	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)c1C	855634852	VNPIREAZJQLRMI-SPCJUUJZSA-N	421.541	4.539	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1	857546284	RUVYNRHSBOQVFI-NSHDSACASA-N	400.832	4.594	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nnc(Cc3ccccc3)s2)c1C	864026132	RRUGYPFLOWSYJC-UYRXBGFRSA-N	405.527	4.503	50	20	HJGD	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C2CC2)cc1	916289156	BVZJPCXFNYIGDI-UHFFFAOYSA-N	404.539	4.902	50	20	HJGD	
CCNC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1	916435802	MQIUQNNEQWWQAG-QNGOZBTKSA-N	418.541	4.906	50	20	HJGD	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)CCCC[C@@H]1CCSS1	918954813	GLYSGHLPMRLPKH-UKRRQHHQSA-N	417.543	4.742	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	920046839	LGRBNXIGRALICB-IBGZPJMESA-N	424.913	4.616	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NC[C@H](O)COc1cccc(Cl)c1Cl	920350208	YIMWGQBIKOEIES-STQMWFEESA-N	424.415	4.563	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccsc2)n1)c1ccc(COc2ccccc2)o1	920371137	QRLLWHCUKYXCCK-UHFFFAOYSA-N	409.492	4.808	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)CCCC[C@@H]1CCSS1	921045143	QNZQHZPNHCKCLX-JKSUJKDBSA-N	402.626	4.606	50	20	HJGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)Nc1nc(-c2cc(C)ccc2C)cs1	1115821161	GUHCDNGTUGPCDF-SXGWCWSVSA-N	405.479	4.687	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H]3CCc4ccccc43)cc2)CCC1)C(Cl)Cl	1791692689	FNVCLBSFHRADMO-GOSISDBHSA-N	417.336	4.654	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2C)CC1	1824609838	HAHXYHWQRLZBOQ-TZIWHRDSSA-N	422.972	4.775	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nnc4n3CCCCC4)o2)cc1	7158962	BZLCOCCQYHELHF-NBVRZTHBSA-N	402.454	4.505	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1C	302934594	HGUOUXBLGZLTNI-NLKUQUHMSA-N	421.516	4.674	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1cc(C2CC2)nn1-c1ccccc1	726875358	ZFXRIBYIKGZFQV-UHFFFAOYSA-N	403.273	4.600	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](COCC(C)C)c2ccco2)c(C)n1CC(C)C	727055191	JTUWBDSYFJCIHQ-PIZZFGTGSA-N	411.546	4.791	50	20	HJGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3cc(F)ccc3Br)o2)cc1	728436019	KPNLYFSUSBYQSO-UHFFFAOYSA-N	401.235	4.921	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CC(c2ccccc2)c2ccccc2)c1C	734257023	YSCPIWWEJCLGPG-UHFFFAOYSA-N	423.520	4.821	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2ccccn2)c(C)n1-c1ccccc1F	743655907	WNWSXRKJTNBCSN-OFBHVFLISA-N	402.473	4.755	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1	745307513	MVJADQNKWAVWCU-JOCHJYFZSA-N	418.497	4.849	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3cc(F)c(F)c(F)c3)cc2)cs1	746704208	XPCVWMONJDVVEA-UHFFFAOYSA-N	409.458	4.918	50	20	HJGD	
Cc1ccc(-c2nc(C)c(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)s2)o1	746895885	ZUUHTOAMURDMAX-UHFFFAOYSA-N	406.389	4.667	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNC(=O)c1ccc(Cl)cc1F	747643587	KARRXHIRUUXNHN-UHFFFAOYSA-N	423.250	4.589	50	20	HJGD	
O=C(CSc1ncnc2scc(-c3ccccc3)c12)NNc1ccccc1F	748056780	XRBDZFBDEFREIV-UHFFFAOYSA-N	410.499	4.733	50	20	HJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)c(C)c2c1	748726481	GLOFMVFINRLNFT-UHFFFAOYSA-N	415.833	4.581	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1	749227234	CCEBVWUCCUQIEF-XDHOZWIPSA-N	417.440	4.635	50	20	HJGD	
CO[C@@H](C)c1nc(CNC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cs1	752517252	WABOCQMZRBLJFH-KCBNLNMNSA-N	414.575	4.538	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	756772075	DDLZPYMAFAZIBG-QLFBSQMISA-N	419.451	4.607	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)ccc1OCCC(=O)O	763372222	BAABITQBQNOYAF-MKMNVTDBSA-N	420.248	4.645	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc([S@](C)=O)c(F)c2)c(C)n1CCC(C)C	765101632	ZXMJBODPEQBSKA-SXYFSAJJSA-N	415.534	4.573	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(C3CCC3)cs2)c(C)n1C[C@@H]1CCCO1	767105342	DXCPQZHFFBESPL-UDKWZTAFSA-N	410.543	4.554	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2ncc(Cl)cc2Cl)cc1	775270061	XBHCRDDOGLOFIS-UHFFFAOYSA-N	407.326	4.815	50	20	HJGD	
O=C(O)[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1cccs1	776450548	HWVIWYJXSXDBQA-LLVKDONJSA-N	423.406	4.510	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC2(CCOCC2)C1	777985788	WRBKOSJILNMGBU-UHFFFAOYSA-N	407.426	4.535	50	20	HJGD	
COc1cc(NNC(=O)c2ccccc2OCCOc2ccccc2)ccc1Cl	790180813	NVRIEFQCDGCDNW-UHFFFAOYSA-N	412.873	4.563	50	20	HJGD	
CSSCCNC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	791096431	CCELHZYOIHHQPX-NSHDSACASA-N	402.994	4.744	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)c(C)n1-c1ccc(OC(F)F)cc1	794885731	ZYLKIGORFRZNTD-GYKGCMEESA-N	400.425	4.598	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1nc(C(F)(F)F)cs1	795163845	MTWZLTLZZQYQSX-UHFFFAOYSA-N	416.812	4.790	50	20	HJGD	
N#Cc1cc(Oc2ccc(NC(=O)NNc3cccc(C(F)(F)F)c3)cc2)ccn1	810280481	HNFFFZSBHGKKGF-UHFFFAOYSA-N	413.359	4.913	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cn3ccsc3n2)c(C)n1C1CCCCC1	914610158	QQVRRAQJSUGKOY-WOJGMQOQSA-N	407.543	4.543	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC#N)c2)c(C)n1-c1ccc(F)cc1	916410940	JFAVSCKLSSUUEP-UYRXBGFRSA-N	414.440	4.681	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@H]1COc2ccccc2O1	918559839	SQIXLOIHUDQBRT-CJNGLKHVSA-N	403.809	4.684	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCN(C(C)(C)C)CC3)c2C)cc1	918653079	DLABLJKUUJMRQH-CJLVFECKSA-N	418.585	4.689	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(-c3cccc4ncccc34)o2)c1C	1257876462	ISANLKFJSCPEEL-BKAYVGFPSA-N	413.481	4.975	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2cncc(Br)c2)cc1F	1319761597	HUSUVPPDXRYBLA-UHFFFAOYSA-N	418.241	4.855	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C)c(C)c3)CCC2)cc1	1786442260	CAPWPHMNPHVUSJ-HXUWFJFHSA-N	413.949	4.854	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)[C@@H](C)CC	1795567918	NKPPHQRIBINDCH-KHUIRXAESA-N	419.009	4.862	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)cc2F)n[nH]1	1821022410	WYLZFDWCJKNSPI-MAUKXSAKSA-N	420.916	4.571	50	20	HJGD	
CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)Cl)CC1)c1ccccc1	1824240368	IYNSVSRHESZUKE-PCCBWWKXSA-N	422.972	4.580	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1	1824619172	SLZKKKFILPBWIE-VMXMFDLUSA-N	411.030	4.840	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C)c2)CC1	1830303488	NECLETBVFNSSDD-FGZHOGPDSA-N	419.009	4.565	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(N(C)CCC#N)cc2)c(C)n1CC(F)(F)F	7212177	QTVCHZSPBAJSOP-LDADJPATSA-N	414.431	4.807	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)Oc3ccc([N+](=O)[O-])c(C)c3)s2)cc1OC	105045316	RBYCQJSIOCVVEU-UHFFFAOYSA-N	414.439	4.572	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)c1C	213339906	FIEIZNDBZXYDPM-QJISPJEISA-N	410.499	4.838	50	20	HJGD	
Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CCCC[C@@H]1CCSS1	725735070	ZIXNZXGDWBSIQQ-QGZVFWFLSA-N	424.657	4.837	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1O	725886425	YCPAUIHAJITROA-MOSHPQCFSA-N	407.514	4.548	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(CSc2ccccc2)cc1	728080635	JIDWWPRCCMPSEX-UHFFFAOYSA-N	402.479	4.786	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)c1c(Cl)cccc1Cl	728157780	HTIPIFBUGYFGHZ-SDQBBNPISA-N	412.232	4.902	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3ccc(F)c(F)c3F)cc2)n1	728717121	OKNYXLXCAKFJQJ-UHFFFAOYSA-N	409.458	4.918	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc(Br)c1O	730148853	NQAXBGVXNXXEDU-WMZJFQQLSA-N	405.248	4.976	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1	730596526	PMHZADYCCGOOCI-STQMWFEESA-N	412.317	4.562	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)NNc3cccc([N+](=O)[O-])c3)s2)cc1	730914345	PMHCZKWROGJQNO-AWEZNQCLSA-N	411.487	4.722	50	20	HJGD	
CCCCC(CC)=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1	732923612	FPWRWMRPJSPFCO-UHFFFAOYSA-N	415.559	4.790	50	20	HJGD	
O=C(NN=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2ccccc2c1	733076355	NSOWFLHNPNRICQ-UHFFFAOYSA-N	402.435	4.635	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1	733873661	QAJNSLGZJZPYIX-UHFFFAOYSA-N	401.344	4.829	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Cc1cccc2ccccc12)c1cccc(Cl)c1Cl	735584913	VXUIOTNQIBSPBM-CYBMUJFWSA-N	416.308	4.781	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC(=O)c1cccc2ncccc12	740761834	NMTUTHOBURSWLD-UHFFFAOYSA-N	417.900	4.514	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(Nc3cccc(C)c3)CC2)c1C	741238349	ONBCPMYPCKMHQF-JWGURIENSA-N	404.558	4.833	50	20	HJGD	
CCc1noc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	741819313	FLCZADBMHSEYGF-ADFUCPMPSA-N	424.888	4.904	50	20	HJGD	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)NNC(=O)Nc2ccccc2C)cc1	743642668	USHABOAMWHFPPA-QGZVFWFLSA-N	418.497	4.768	50	20	HJGD	
CCCCN(C(=O)NNC(=O)c1cccc(Br)c1)[C@@H](C)c1ccc(C)o1	743686697	DYVANIVDJJRRGP-AWEZNQCLSA-N	422.323	4.568	50	20	HJGD	
O=C(NNc1ccccc1Br)c1csc(-c2c(F)cccc2F)n1	748060693	YLPBAHIXCNVXRW-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
COC(=O)c1ccoc1CSc1ccccc1C(=O)NNc1cc(C)ccc1C	748416045	MJNQDCZTMHRQGW-UHFFFAOYSA-N	410.495	4.732	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1c(C)nc2c(c(C)nn2C)c1C	748672966	RVFNDVWGAWDOLK-UHFFFAOYSA-N	421.570	4.773	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCSCC3)c(C)c2)c1C	749821566	PXVXGIUZIAJVFX-RCCKNPSSSA-N	422.598	4.922	50	20	HJGD	
O=C(NNC(=S)Nc1ccccc1-c1ccccc1)C12CC3CC(CC(C3)C1)C2	750975743	YTYYYKYAYQQYJH-UHFFFAOYSA-N	405.567	4.888	50	20	HJGD	
O=C(NN=Cc1c[nH]nc1-c1cccc(Cl)c1)c1ccc(COc2ccccc2)o1	755582202	TVJKGDSXIYGSNZ-UHFFFAOYSA-N	420.856	4.666	50	20	HJGD	
Cc1sc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)cc1-c1ccc(F)cc1	755669497	RMKKXPRWVNELQZ-UHFFFAOYSA-N	417.893	4.660	50	20	HJGD	
CC(C)c1ncc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1	758360733	ZYZIEAWABRAEGJ-UHFFFAOYSA-N	401.495	4.641	50	20	HJGD	
CSc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)c(Cl)cc1Cl	761582063	LAGYQVQHDULDAQ-UHFFFAOYSA-N	402.250	4.948	50	20	HJGD	
Cc1noc2ncc(S(=O)(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)cc12	762458450	ZNEKXZSFGCHBSG-UHFFFAOYSA-N	415.365	4.989	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@H](CCO)c1ccccc1	762677048	MOQPNMDODNJOFE-OAHLLOKOSA-N	424.391	4.522	50	20	HJGD	
Cc1cccc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1Cl	766261862	NCONBMMPHBAQLE-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Br)c1)C(=O)Nc1ccccc1F	768268935	JZYZXQUEWIKSLV-YRNVUSSQSA-N	411.177	4.735	50	20	HJGD	
O=C(CSc1ncco1)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	772247944	UTJMHJYCEMWNQH-UHFFFAOYSA-N	405.401	4.853	50	20	HJGD	
COc1cc(/C(C#N)=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	774563262	YLJVTFUONFRVJY-GZTJUZNOSA-N	408.414	4.566	50	20	HJGD	
Cc1cccc(COc2cccc(C(=O)NNc3ccc(C(F)(F)F)cn3)c2)c1	775265131	UYKXFXGWDUACMR-UHFFFAOYSA-N	401.388	4.745	50	20	HJGD	
O=C(NN=Cc1cccc(Br)c1OC(F)F)c1ccc(Cl)cc1F	776770846	CDEUAAUMBHCINH-UHFFFAOYSA-N	421.600	4.607	50	20	HJGD	
Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782909709	BXTWMHGVUFOCRA-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cc(-c2ccccc2)ccc1Cl	788565060	JBCDWQYMIRALLR-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
Cc1ccc([C@H](NS(=O)(=O)c2ccc(CCCCl)cc2)c2ccccn2)cc1	795242424	HKGZBXKYNRUQNE-QFIPXVFZSA-N	414.958	4.629	50	20	HJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@]2(CCOC2)O1	797642755	LUHJJBNKMBCZCJ-XHDPSFHLSA-N	402.385	4.756	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2-c2cnn(C)c2)cc1Cl	801647907	RPRAARBDDSKGBO-CXUHLZMHSA-N	406.873	4.603	50	20	HJGD	
COc1cc(C)c(Br)cc1C(=O)NNc1cc(C(F)(F)F)ccc1F	802859537	GECXCRMIMSGAAN-UHFFFAOYSA-N	421.188	4.681	50	20	HJGD	
O=C(NNc1ncccc1F)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1	804217017	OHJBSKRERMIINI-UHFFFAOYSA-N	404.228	4.515	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc4c(c3)CCC=C4)cc2)cc1	806380420	SOKXNMWMBRFTRO-UHFFFAOYSA-N	418.518	4.544	50	20	HJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1[N+](=O)[O-]	812244694	GIRSOELJNIERSW-WJDWOHSUSA-N	401.382	4.730	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cc(-c2ccccc2)on1	812457776	TWWQIRQQANTWQE-UHFFFAOYSA-N	418.434	4.742	50	20	HJGD	
CCOc1ccc(NNC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)cc1	817886009	SGLSYGRQKHBWKW-CYBMUJFWSA-N	401.919	4.911	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2nc3ccccc3n2C)c(C)n1C1CCCCC1	823092573	XSTKOJYKKKGYMO-ZHZULCJRSA-N	415.541	4.720	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(NC(=O)C3CC3)c2)c1C	916420893	CYURMWSWRBQZCT-MOSHPQCFSA-N	405.498	4.766	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cc(C)c(Cl)cc1OC)O[C@@H](C)C2	916548912	CXBPTRPTJLLFQV-BWADBZPLSA-N	412.873	4.535	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1	917738215	WDWKGNLRMMOIOS-JOCHJYFZSA-N	410.926	4.924	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	920046343	GPCWWKIXLWOXGE-KRWDZBQOSA-N	420.321	4.789	50	20	HJGD	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(/C=C(\C#N)C(=O)C(C)C)cs1	920399316	RZYPSBVFYSDDJG-MDWZMJQESA-N	407.417	4.979	50	20	HJGD	
CCOc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)c(C(F)(F)F)c1	920757106	WBPYLUNHTGNOMX-UHFFFAOYSA-N	407.841	4.686	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc2c(C(F)(F)F)cc(O)nc2o1	1319721752	JSVJMHGEJXMLJS-UHFFFAOYSA-N	406.147	4.616	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CN(CC)CC)CCC2)cc1	1786445882	AHCMYAWVHAMFFE-PXNSSMCTSA-N	422.013	4.506	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(C)on3)cc2)CCC1	1789569993	PMOZJKRXOBKFGT-VYENPZKTSA-N	415.921	4.538	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3cccnc3)cc2)CCC1	1791852956	ZYUKUAQPLMUUPT-KETLNSEPSA-N	411.933	4.636	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C)CCCCC2)n[nH]1	1822330017	SVQZSXDPDFCZSS-INIZCTEOSA-N	408.974	4.637	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC)cc2)CC1	1824615244	CZEWJPHDXGOMNG-FCHUYYIVSA-N	419.009	4.890	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1	1832389747	HMEWZLOSCNHVLN-FSLIYXPKSA-N	409.014	4.594	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1occc1COc1ccccc1	22738001	APMBYBNMESOTOC-UHFFFAOYSA-N	421.331	4.543	50	20	HJGD	
O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1ccc(CCCCl)cc1	60348958	GXDFXYGMLXLYMU-UHFFFAOYSA-N	403.887	4.813	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)C(=O)Nc1ccc(F)cc1	211408450	DPTDDBKJUJKNRV-BOPFTXTBSA-N	408.864	4.886	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(Cl)cc2Cl)c1C	212601324	BEPNAHSOGZFQPS-MFOYZWKCSA-N	407.297	4.709	50	20	HJGD	
CCC(CC)(CNC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1	725877210	RBLKPJBRPQKKCS-UHFFFAOYSA-N	412.921	4.523	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(C(F)(F)F)c2)cc1	727264574	SJYVYYRWYYEWFN-ZROIWOOFSA-N	421.806	4.606	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@H](CC1CCCCC1)c1ccccc1	730127304	OFRCZGQQSKCPND-HSZRJFAPSA-N	416.525	4.891	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1	730671558	GCLSFDDQPFDMII-SFHVURJKSA-N	424.504	4.915	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3occc3C(=O)O)cc2)cc1	730952507	XYVGVZDVTHPFPN-QGOAFFKASA-N	416.433	4.665	50	20	HJGD	
COc1ccccc1C(=O)NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	731487400	RZJGSTBXKAYGGU-UHFFFAOYSA-N	405.401	4.601	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl)c1ccccc1	731931440	HQDPVHYBGGICMM-HXUWFJFHSA-N	408.933	4.846	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cc(C(C)C)no2)c(C)n1-c1ccccc1F	733946687	OZSKWYGIXRSOBZ-VCHYOVAHSA-N	406.461	4.568	50	20	HJGD	
CC[C@H](Cc1cccc(Br)c1)C(=O)NNc1cc(F)c(F)cc1F	735327269	XKEIVEXUZPRXAT-LLVKDONJSA-N	401.226	4.578	50	20	HJGD	
CCc1cc(NNC(=O)c2sc3ccccc3c2Cl)nc(-c2ccccn2)n1	738538998	UMGYBEWNMDWLLF-UHFFFAOYSA-N	409.902	4.726	50	20	HJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)Nc1ccccc1Br	741845495	YNGLYRSMSYCPAY-UKTHLTGXSA-N	407.214	4.639	50	20	HJGD	
COc1ccc(NC(=O)NNC(=S)Nc2ccccc2Oc2ccccc2)cc1	741854406	KZVMDVXYEJRCAW-UHFFFAOYSA-N	408.483	4.511	50	20	HJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccncc1	747007042	PCCAPFRFYJSLDO-BFZGFGPOSA-N	411.509	4.536	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(-c2ccncc2)nc2ccccc12	748066485	RUPFKAGMVSGLIE-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1ccc(Br)cc1F	748204131	UWDQUUNNLSJYIQ-LBPRGKRZSA-N	405.189	4.768	50	20	HJGD	
Cn1c2ccccc2c2cc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)sc21	748733083	VJLVEWCZKFOQHX-UHFFFAOYSA-N	400.847	4.712	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCOc1cccc(Cl)c1Cl	751164637	CXFVQTJGSPTJFB-UHFFFAOYSA-N	400.214	4.675	50	20	HJGD	
Cc1noc(C)c1COc1ccc(CC(=O)NNc2cc(Cl)ccc2Cl)cc1	752810479	RGPIFROMXKVHPA-UHFFFAOYSA-N	420.296	4.863	50	20	HJGD	
O=C(NCc1ccc2c(c1)C(=O)NCC2)Nc1ccc(S(F)(F)(F)(F)F)cc1	752981632	VBKZGUAHGHYJHG-UHFFFAOYSA-N	421.391	4.952	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(OCC2CC2)c(F)c1	759614172	WYCDNXKNQYWOBC-GFCCVEGCSA-N	409.408	4.603	50	20	HJGD	
O=C(O)c1ccc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1F	762457837	WDOCJMNWTNTEMN-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)[C@H](C)c1ccccc1C(F)(F)F	766535380	VRHKKWQZJCFKNB-QWHCGFSZSA-N	419.403	4.588	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2ncnc3ccsc23)cc1C	766671885	YFHHPLJPUDJCNE-UHFFFAOYSA-N	407.524	4.611	50	20	HJGD	
COc1ccccc1[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccco1	769444362	BQGIOQQTOMXDRG-NRFANRHFSA-N	419.930	4.528	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cn(C)nc2-c2cccs2)c(C)n1CC(F)(F)F	769552057	SHEHOQYUNQYQQQ-ZSOIEALJSA-N	418.444	4.919	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1cccc(NC(=O)C2CCCCC2)c1	770063839	XJKNYBPIVVBFFI-UHFFFAOYSA-N	406.408	4.771	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)c1cccc(F)c1	772172083	NWMLIHVMSSECKS-MTJSOVHGSA-N	408.436	4.922	50	20	HJGD	
C#CCCCCC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	773183524	UTCOKIYJKCVAKA-UHFFFAOYSA-N	400.931	4.587	50	20	HJGD	
CC(C)CO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773405704	XGUJNDGOZKZFJE-CYBMUJFWSA-N	416.412	4.556	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1cccc(-c2noc(C3CC3)n2)c1	779440008	SWNKRUUVTWKEOX-UHFFFAOYSA-N	419.363	4.661	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNc3ncncc3Cl)cc2Cl)cc1	782018518	LRXSVRHKQIYMCR-UHFFFAOYSA-N	415.240	4.596	50	20	HJGD	
O=S(=O)(NCCOc1ccc(F)cc1)c1ccc(S(F)(F)(F)(F)F)cc1	782983326	NUSCYIRQEOLQEM-UHFFFAOYSA-N	421.384	4.840	50	20	HJGD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NNc1cccnc1Cl	784848373	KHAIMBGEYRWKBZ-UHFFFAOYSA-N	418.950	4.550	50	20	HJGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2C)cc1Cl	785120588	YVJNLNHZCXDGPO-UHFFFAOYSA-N	421.950	4.629	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C\c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1	786042770	IQQSBVGRDKGRBJ-XKZIYDEJSA-N	405.523	4.514	50	20	HJGD	
Cc1ccc(CNC(=O)CCCC[C@H]2CCSS2)c(-n2cc(Cl)cn2)n1	787335768	MJFFMJOTVPVPDK-INIZCTEOSA-N	410.996	4.559	50	20	HJGD	
COc1ccc2nc(C=NNC(=O)c3sc(-c4ccccc4)nc3C)sc2c1	788705769	XLYANZLGJQRLAK-UHFFFAOYSA-N	408.508	4.501	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(Br)c(Cl)c2F)ccc1Cl	790177868	ONMWBDFYMRPKMG-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3cccc(F)c3[N+](=O)[O-])oc2c1	791076437	PRSDBXQUHWFBNF-UHFFFAOYSA-N	421.384	4.913	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(Cl)c(CN2CCOCC2)c1	797700183	VJILOMOYELSQIL-KRWDZBQOSA-N	415.024	4.825	50	20	HJGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC[C@H](c4ncccc4C)C3)n[nH]2)c1	799112031	YHUCRTYZVCVFDQ-SFHVURJKSA-N	401.514	4.841	50	20	HJGD	
COCC(C)(C)CCCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	807490530	DDNNCEGUJUFWNV-UHFFFAOYSA-N	418.428	4.852	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	815845895	WZHDIMZNJSSLTA-UOVKNHIHSA-N	410.408	4.787	50	20	HJGD	
CCCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1	915161930	YFCMMPQTHOQCHP-PGGUJSHWSA-N	407.514	4.618	50	20	HJGD	
O=C(CCC(=O)NN(c1ccccc1)c1ccccc1)CCC(=O)c1cccs1	915193486	AXZYOJKNLJQZDQ-UHFFFAOYSA-N	406.507	4.930	50	20	HJGD	
CC(=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1nc(C)sc1C	916284398	BGHKHDIEUSMFCH-UHFFFAOYSA-N	401.495	4.524	50	20	HJGD	
N#C/C(=C/C1=Cc2cc(Br)ccc2OC1)C(=O)Nc1ccccc1Cl	917400152	RCZFPOWOVRDMDB-ZSOIEALJSA-N	415.674	4.967	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CC2CCCCC2)C2CC2)c(C)n1C[C@@H]1CCCO1	917802331	GAVCVFHXRIQMGC-XPCGLTFESA-N	409.574	4.762	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1	918002671	RRCRSKOTRFCKCC-NRFANRHFSA-N	407.901	4.576	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)c1ccccc1Cl	1084415617	KFEIRHQRWCESPN-UHFFFAOYSA-N	401.297	4.619	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCC(F)(F)F)cc2)CCC1	1787868686	FTXWHNIFWAFVSX-OAHLLOKOSA-N	404.860	4.871	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3coc(C(C)C)n3)CCC2)cc1	1790488072	SEXXYKHYSVWXDR-MRXNPFEDSA-N	403.910	4.563	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2C(C)C)c(C)n1CC(C)C	6216343	XBNRIALOFQQEFK-CIAFOILYSA-N	421.541	4.973	50	20	HJGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2sc3cc(F)ccc3c2Cl)c1C	18103011	JISOZULWOZHUTL-GFCCVEGCSA-N	420.893	4.539	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cc3ccccc3o2)c1C	24701501	KYBBYQSOFDNDKZ-VJJRWWOPSA-N	405.498	4.843	50	20	HJGD	
O=C(Cc1csc(-c2ccccn2)n1)NNc1c(Cl)cc(Cl)cc1Cl	27568920	USWXWRSMRUCTCL-UHFFFAOYSA-N	413.717	4.851	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1	727791407	FHXBGLADHFLXOO-SNVBAGLBSA-N	419.230	4.967	50	20	HJGD	
Cc1csc(SCc2c(C(=O)NNC(=O)CC(C)(C)C)oc3ccccc23)n1	728607866	KOUGAJFFZLQNCO-UHFFFAOYSA-N	417.556	4.687	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1c[nH]cc1-c1ccc(Cl)s1	732975221	GILSIZJEPDKNLK-UHFFFAOYSA-N	420.281	4.857	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C	733084290	ZEGORMXCVNQCQO-CXUHLZMHSA-N	404.451	4.881	50	20	HJGD	
O=C(NCc1cccc(NC(=O)Nc2ccccc2)c1)NNc1ccccc1Cl	733849135	YRVJTXJDFQPQIQ-UHFFFAOYSA-N	409.877	4.810	50	20	HJGD	
C[C@H](Sc1ncccc1Br)C(=O)/C(C#N)=C1\Nc2ccccc2S1	735981391	JASWHUVMPPVKFB-ADHQNKHFSA-N	418.341	4.847	50	20	HJGD	
N#C/C(=C\c1cnc2ccc(Br)cn12)c1nc(-c2ccncc2)cs1	736410328	QOGRTUQJVBMDSR-NTUHNPAUSA-N	408.284	4.679	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)c1cccc2ccccc12	741465644	RCSSWRJPEREFDQ-UHFFFAOYSA-N	406.848	4.890	50	20	HJGD	
CN(C[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1)C(=O)OC(C)(C)C	744341174	DPKGBVWZAXVDIA-SJORKVTESA-N	416.653	4.806	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nc3ccccn23)cc1	744858748	CFRMRVPOSUMLIQ-CYVLTUHYSA-N	421.460	4.505	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1	746879180	KXNDGURZAWBVLW-RKCQOLGWSA-N	412.436	4.787	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ccc(OC(F)F)cc2)cc1C	748654499	UATJTPVLVQXPRX-UHFFFAOYSA-N	410.420	4.893	50	20	HJGD	
O=C(CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)NCc1ccccc1	752982163	LYNBBVPGZCFTRL-UHFFFAOYSA-N	409.380	4.782	50	20	HJGD	
CC[C@H](C)c1ccc(C(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1	755777908	QLSCTJQNAMPAOF-KRWDZBQOSA-N	423.538	4.758	50	20	HJGD	
CN1CCCC(=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1	758090631	JXKPHPDOBCMAMO-UHFFFAOYSA-N	401.963	4.834	50	20	HJGD	
CN(C)CC1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCCC1	759139486	GOMZLNRUVHNIIK-UHFFFAOYSA-N	422.485	4.744	50	20	HJGD	
Cc1c(NC(=O)NNc2nc3ccccc3s2)cnc(Cl)c1Br	760060076	LJPVJLNOKVPTEU-UHFFFAOYSA-N	412.700	4.564	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@@H](c1cccc(F)c1)c1ccccn1	766293322	LMDPQUTVHOZYNS-SFHVURJKSA-N	405.260	4.943	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3cn(C(C)C)nc3c2)c1C	768145053	GWOKOOKIOWHVKN-SOFYTKRASA-N	419.529	4.789	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	768291617	AJUJRIOPKJBEEH-MWLCHTKSSA-N	413.303	4.678	50	20	HJGD	
O=C(NNc1ccccc1)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	770030860	OOXFBRXFJXYSIR-QFIPXVFZSA-N	400.482	4.813	50	20	HJGD	
C[C@H](CBr)CN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	770653315	OOZHUOAVTUCPFI-CQSZACIVSA-N	420.326	4.859	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C	771702395	XOJMDZACXSJOTL-UHFFFAOYSA-N	421.398	4.614	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773250939	DMGDHOYBGRKUNL-MRVPVSSYSA-N	413.368	4.765	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)csc1Br	773468389	NUNVQSKVURPBPA-UHFFFAOYSA-N	409.227	4.517	50	20	HJGD	
O=S(=O)(CCCCCl)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	780832004	LRSDXZJMLQISCW-AWEZNQCLSA-N	404.281	4.748	50	20	HJGD	
Cc1cccc([C@H](O)CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782985122	LJOUIRFISSFVNA-OAHLLOKOSA-N	417.421	4.664	50	20	HJGD	
C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)NNc3ccc(Cl)cc3)c2)C1	783340426	UPHXLUKVROKMJM-YWZLYKJASA-N	415.921	4.517	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccc(C(F)(F)F)cc2C)c1	785454953	ZBCVCPQWWMKNLJ-UHFFFAOYSA-N	415.209	4.549	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(Oc3ccccc3Cl)nc2)ccc1Cl	790176782	UVYOKOYQQGSETA-UHFFFAOYSA-N	404.253	4.946	50	20	HJGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1	792379626	LLTZJDOEBPUULJ-UHFFFAOYSA-N	422.488	4.806	50	20	HJGD	
CCCn1c(C)c(C(=O)NNC(=S)Nc2ccc(C)c(C)c2)c2cc(OC)ccc21	792951978	MNFVFRCCZPKPAP-UHFFFAOYSA-N	424.570	4.617	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(OC)c(OCc2ccncc2)c1	799384282	ITQYVQLLWLGOJR-UHFFFAOYSA-N	406.486	4.689	50	20	HJGD	
Cc1ccc2cccc(C(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)c2n1	804206563	JGMMXRDCANYVTN-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
Cc1c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1[N+](=O)[O-]	817014700	UXUBTWGBRUCJDH-UHFFFAOYSA-N	407.270	4.698	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2coc(-c3cccs3)n2)c1C	841879257	YGLAYBQPRSLNLN-WQRHYEAKSA-N	408.527	4.845	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)c1C	916080847	NMPDHPMVLYYHMP-FBHQFGEZSA-N	411.521	4.701	50	20	HJGD	
COc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)ccc1NC(C)=O	916087874	ZTCWNLOWBYDSCE-NDENLUEZSA-N	422.529	4.664	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)cc2)n1	916295458	WKYZPZWAFLUVQH-CGXNFDGLSA-N	420.582	4.928	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)c(C)c1	917863993	BUZOZIXZBRZLQA-LANLRWRYSA-N	409.530	4.955	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)Cc2ccc3ccccc3c2)oc2ccccc12	918081840	HHQQAFDEWHAAQV-MRXNPFEDSA-N	401.466	4.529	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	919731155	RXHFTADBAHPQJB-OAHLLOKOSA-N	420.987	4.939	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)c1ccc(COc2ccccc2)o1	921256563	VYXVZPCMCMNJML-UHFFFAOYSA-N	419.264	4.938	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(F)cc1Br)c1nc(C(C)(C)C)cs1	1318368105	FOWVXCPQWADVKN-VIFPVBQESA-N	415.332	4.730	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3cc(-c4ccccc4)on3)o2)c1C	1322521732	NGVMMHNDILIXGB-UNOMPAQXSA-N	415.453	4.521	50	20	HJGD	
Cc1c([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cnn1C	1322759073	YZHUEDMQISJCEG-VUQQOUJSSA-N	421.932	4.574	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1-c1nnc(/C(C#N)=C\c2cc(C#N)n(C)c2C)o1	1328364125	IYBPAFHOESZTJH-MFOYZWKCSA-N	412.478	4.751	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	1797868921	HIQVLIAQSRUMFO-MCLWVUGISA-N	409.014	4.639	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1	1814697376	CKZQVDXIKAYVEG-INIZCTEOSA-N	423.344	4.634	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1	1824613690	RVOQIOGEZUMKIN-PCCBWWKXSA-N	409.014	4.760	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1	1824618658	LEPXVKMOZFWEGX-MIZPHKNDSA-N	409.014	4.760	50	20	HJGD	
C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCCCCCCCCCCl)C1	1847226703	MFAWRNCWHIYWSG-SFTDATJTSA-N	409.014	4.904	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3ccc(OCC#N)cc3)n2)c1	16881966	JXBHBPHJNPUQLF-LDADJPATSA-N	414.490	4.875	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)C(=O)c1ccc2c(c1)OCO2	48332987	OHRWLDOFGKGGJK-NVMNQCDNSA-N	419.868	4.720	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(C)n1C1CCCCC1	261376315	FWXHOLVDBWTSQZ-MTCPJELPSA-N	421.545	4.531	50	20	HJGD	
O=S(=O)(Nc1ccccc1SCC(F)(F)F)c1ccc(CCCl)cc1	327317678	YKGMEOJXXMKABP-UHFFFAOYSA-N	409.882	4.923	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1csc(-c2ccccc2C)n1	727492909	AZCJKQLAJCKOKO-UHFFFAOYSA-N	410.568	4.621	50	20	HJGD	
O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NNc1ccccc1[N+](=O)[O-]	729964799	CKEGZHCICLRIFR-UHFFFAOYSA-N	411.845	4.513	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2noc3c2CCCC3)c(C)n1-c1ccc(F)cc1	731238019	TUZULQIRFUKJSM-PDGQHHTCSA-N	419.456	4.750	50	20	HJGD	
Cc1cccc(-n2c(NNC(=O)c3coc4ccccc34)nc3ccccc3c2=O)c1C	733263860	AOCIDDMEPLOZIG-UHFFFAOYSA-N	424.460	4.506	50	20	HJGD	
CCOc1ccc(-c2csc(NC(=O)c3c(C)nn(CCCl)c3C)n2)cc1	733921248	UMFBNFZCXHKYLB-UHFFFAOYSA-N	404.923	4.513	50	20	HJGD	
CCc1ccc(CCOC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1	734289942	QGLVYQWLWXAKRY-QJOMJCCJSA-N	424.504	4.719	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cnn(CC(F)(F)F)c2)c(C)n1C1CCCCC1	735638575	LLZNDQRRZKCXFI-RQZCQDPDSA-N	419.451	4.915	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)Nc2ccc(OC(F)F)cc2)cc1	741867203	PPIPZFZEIRXPAD-UHFFFAOYSA-N	408.474	4.654	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ncc(C(C)(C)C)o2)c1C	747674273	PZXKHWVHASWJDD-PVSFYRCESA-N	413.518	4.809	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1	748359723	IOTDXVFKAHPBJB-PKNBQFBNSA-N	413.852	4.780	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCCc2ccc(Cl)cc2)c1C	749525630	LJTVKVZLTDGDHR-RSZPVBOMSA-N	413.949	4.622	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3nc(C(F)(F)F)cs3)sc2C)cc1	755860521	XYVAUWPFJSJIGY-UHFFFAOYSA-N	413.446	4.964	50	20	HJGD	
CCc1csc(-n2cc(C(=O)Nc3c(CC)cc(SC#N)cc3CC)cn2)n1	762461691	FIAIBSBHWMTCPI-UHFFFAOYSA-N	411.556	4.841	50	20	HJGD	
Cc1c(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cnn1-c1ccc(O)nn1	762605970	QALHWLMSGBZWOR-UHFFFAOYSA-N	421.351	4.586	50	20	HJGD	
CC[C@H]1CCCC1=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1	764763248	RYCQQGXWRHWNBE-HNNXBMFYSA-N	420.629	4.913	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F	765192711	OUZQKURKGTYJTF-UHFFFAOYSA-N	415.384	4.624	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ncnc4ccsc34)c3ccccc3n2)o1	766673630	OGISQCSXNSJPJM-UHFFFAOYSA-N	401.451	4.565	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cc1	769078801	URPNIPZFWBDQPB-XSFVSMFZSA-N	412.493	4.831	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2ccc(F)cc2C(F)(F)F)cc1OC	771885993	YMUDYKPKHWYLQZ-UHFFFAOYSA-N	412.383	4.796	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)c2cc(SC)ncn2)cc1	773171258	IZEUEVSKJIGZJQ-ODLFYWEKSA-N	417.490	4.628	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NNc1c(Cl)cccc1Cl	773691337	KQFRPVCIPVHPBA-UHFFFAOYSA-N	424.328	4.780	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cnc3c(c2)COCC3)c(C)n1C1CCCCC1	777266883	VOBNHVCAEGTYJK-YBFXNURJSA-N	404.514	4.624	50	20	HJGD	
CC(=O)c1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c(F)c1	777392487	OQKOTYRBTLVSKJ-UHFFFAOYSA-N	419.172	4.567	50	20	HJGD	
Cc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)nn1-c1cccc(Cl)c1	777522279	OSAQKYVRLCNHOH-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccccc1OC(F)(F)F	779210758	IVWWZSSDGRIQAB-LLVKDONJSA-N	400.784	4.591	50	20	HJGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1	784783899	QUMDGONGACEXPI-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc1O	794885657	UYZRPDTYLSQTSW-NVNXTCNLSA-N	409.239	4.501	50	20	HJGD	
Cc1cc(C)c(NNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)c(C)c1	807252095	VGXIAAIFULIDAM-SFHVURJKSA-N	403.324	4.547	50	20	HJGD	
C[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@@H](O)c1ccccc1	808339623	VDTYAYJNHRTVNE-IAQYHMDHSA-N	417.421	4.744	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(C2CC2)nn1	814670442	SEULTLZNIFYAMH-UHFFFAOYSA-N	405.302	4.540	50	20	HJGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	817015556	HOFFHPWSBIRZJN-UHFFFAOYSA-N	407.270	4.698	50	20	HJGD	
COC(=O)c1ccoc1COC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	818004115	DXSLJUZWJMGTFW-LDADJPATSA-N	410.470	4.640	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2Cl)c(C)n1C[C@@H]1CCCO1	912704618	QOLYKPPVBFSYOM-VUZIPCMWSA-N	401.869	4.622	50	20	HJGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1nc2ccccc2nc1Cl	915851935	GAOKEMQZTDCHQW-XYOKQWHBSA-N	402.763	4.848	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CCCCCC2)c1ccc(OC)cc1	915911535	CWRWRPGONBQGAM-GOSISDBHSA-N	415.559	4.511	50	20	HJGD	
COc1cc(C=NNC(=O)C(C)(C)C)ccc1OCc1ccc(Br)cc1	915970149	ZNDLYASXHCMZNI-UHFFFAOYSA-N	419.319	4.533	50	20	HJGD	
COc1cccc(NCC(=O)NN=C(C)c2ccc3c(c2)Nc2ccccc2S3)c1	916363914	WXIKHIRFDPJXPI-UHFFFAOYSA-N	418.522	4.856	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)[C@@H](C)c1ccc(F)cc1	916486216	DGHHCAVEGOQXSR-HWPLOXAPSA-N	411.521	4.968	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)[C@H](C#N)c2nc3ccccc3n2C)c(C)n1CCC(C)C	916844311	YZJGRGYEFCLQOF-MSTPFNHUSA-N	413.525	4.821	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)c1ccc2c(c1)OCO2	917144147	AFIBDUBFLYOEGQ-SXGWCWSVSA-N	405.841	4.661	50	20	HJGD	
Cc1ccc(Cn2cc(C=NNC(=O)c3ccc(N)cc3)c(-c3ccc(C)cc3)n2)cc1	917208143	ASKLYXZYMKORMG-UHFFFAOYSA-N	423.520	4.561	50	20	HJGD	
O=C(NN=Cc1cn2cc(Cl)ccc2n1)c1cc(-c2ccco2)nc2ccccc12	920364342	SZHBDHKNPJIFOX-UHFFFAOYSA-N	415.840	4.560	50	20	HJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(Br)c2c(c1)OCCCO2	921269034	HMMNOJSVDXQVNN-QPEQYQDCSA-N	404.285	4.770	50	20	HJGD	
Cc1cc(C)c(NNC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1	1252355690	NCWXXCZTCJEZLM-NRFANRHFSA-N	403.530	4.560	50	20	HJGD	
Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)cc1F	1788582109	AASOCIXMCLJGPW-FQEVSTJZSA-N	420.887	4.735	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCC3(F)F)CCC2)cc1	1790487682	JWNORLBBJRLKRQ-IRXDYDNUSA-N	412.908	4.963	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H]3CCc4ccccc43)cc2)CCC1)C(Cl)Cl	1791692690	FNVCLBSFHRADMO-SFHVURJKSA-N	417.336	4.654	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccs2)n[nH]1	1817494903	OMMOYZIOUYXONX-FKLRVFMWSA-N	420.966	4.584	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1	1820860156	HMPAHNIKLGEOLW-DWRORGKVSA-N	423.001	4.882	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3csc(C)n3)c2)c1C	23884070	PZEQNSUNLDLSAO-RGVLZGJSSA-N	420.538	4.729	50	20	HJGD	
N#C/C(=C/c1ccccc1OCc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1	207699904	OKWDRUNFTLVLLT-NDENLUEZSA-N	410.882	4.652	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccn2)cc1Cl	210112834	YKLQNXHDFDXOAG-ATVHPVEESA-N	419.868	4.868	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)Cc2ccc(CN(C)C)cc2)c1C	727399683	OVNSLLOGAPVTBP-IWIPYMOSSA-N	406.574	4.532	50	20	HJGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	729620022	OOXHWDGCVITKGN-QGZVFWFLSA-N	400.454	4.792	50	20	HJGD	
O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NNc1ccc(F)c(F)c1F	730589750	QBLFENKJIUDZCE-UHFFFAOYSA-N	419.350	4.808	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C)c1ccccc1	732133290	VWDRAAXEPGZKKE-AVRDEDQJSA-N	403.526	4.669	50	20	HJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3ccc(Br)nc3)cs2)cc1	732834930	SRDLKDGUZPGKIL-UHFFFAOYSA-N	417.332	4.848	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1nc(-c2ccccc2)oc1-c1ccccc1	733812518	ZTZKJDOLXJNLHB-UHFFFAOYSA-N	407.433	4.709	50	20	HJGD	
CCOC(=O)Cc1cccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	738958660	BVJMJIOPONSWAF-UHFFFAOYSA-N	403.482	4.536	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cccc(COc2cccc(F)c2)c1	740136572	WHUJWOBWAFYJCG-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1sccc1Br	741771962	YNKGMDNPZFXZED-UHFFFAOYSA-N	404.236	4.658	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCCOc1ccc(Br)cc1	744001279	RXDAFPWZYLBIFU-OAHLLOKOSA-N	404.395	4.658	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)c(Cl)c1	745645428	WGOHJVCWTIOUFA-KRWDZBQOSA-N	406.889	4.911	50	20	HJGD	
COc1ccc(NNC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc1	746883732	UQNKRFCSCJFMIF-UHFFFAOYSA-N	412.902	4.814	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1C	747444017	VVHDJSDEJPJTKU-BOURKTIISA-N	424.614	4.512	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cccc(NC(=O)C2CCCCC2)c1	748065733	BKAVWQAGYBQARO-UHFFFAOYSA-N	416.319	4.725	50	20	HJGD	
C/C(=C\C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1OC(F)F	753306941	HZDPDXAJGQEYTF-ZHACJKMWSA-N	420.803	4.538	50	20	HJGD	
O=C(Cn1cnc2sccc2c1=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762516896	DRIOEZZQGJEOAN-UHFFFAOYSA-N	411.377	4.754	50	20	HJGD	
Cc1cc(C)cc(NC(=O)NNC(=O)Nc2ccc(Br)cc2Cl)c1	775390880	AEYWDFJRZVTQHY-UHFFFAOYSA-N	411.687	4.578	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(C(=O)Nc2ccccc2)cc1	775582366	WGNYNLJDKYBRRT-UHFFFAOYSA-N	415.375	4.501	50	20	HJGD	
COc1ccccc1CCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777855897	NULKEPFCXXAQCS-UHFFFAOYSA-N	417.421	4.874	50	20	HJGD	
CC(CCCCN(C)C)=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	781114472	QXSWOQXYBRMALW-UHFFFAOYSA-N	423.586	4.693	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCC(CC#N)CC3)c2C)cc1	782056025	OVDYHPABSSHJAI-CJLVFECKSA-N	416.525	4.552	50	20	HJGD	
CCN(Cc1ccncc1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782973457	GPTYVLFVLUCLEP-UHFFFAOYSA-N	402.410	4.950	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2ccc(Br)c3cccnc23)c1	785098018	SMRUJVGASJFWCQ-MHWRWJLKSA-N	423.266	4.656	50	20	HJGD	
CC(C)(C)Cc1csc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)n1	789748570	XIFSNULBBMQSIT-UHFFFAOYSA-N	408.527	4.540	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(Br)c(Cl)s2)cc1	790209712	UCTVAUWQGBYOCJ-WUXMJOGZSA-N	402.722	4.811	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNc2cc(Cl)cc(Cl)c2)c1C	791719432	XQRNAPVIYNJPFB-KIOONODFSA-N	421.328	4.669	50	20	HJGD	
COc1ccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c(O)c1	795357312	CMYWMRWEOOKDRD-UHFFFAOYSA-N	419.393	4.537	50	20	HJGD	
CC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	797645369	OAOIYZYRBDSRGA-GFCCVEGCSA-N	401.401	4.724	50	20	HJGD	
Cc1ccc(C)c(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	800118956	RTLYVVJACLGBCF-XKZIYDEJSA-N	421.541	4.857	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc(Cl)cc(F)c1Br	806861050	GYUANCSAMDYLJV-UHFFFAOYSA-N	400.660	4.608	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)cc1	817900247	ZYBDNRRRFWUSCY-UHFFFAOYSA-N	419.197	4.503	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sccc3C#N)c2C)cc1	908106799	NVLYKCSWLPGLAV-WOJGMQOQSA-N	402.479	4.582	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c(C)n1C1CCCCC1	914731986	KEOTWXPHQVXWCT-BOPFTXTBSA-N	424.932	4.908	50	20	HJGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(CSc2ccc(Cl)cc2)cc1	916617397	MURHCWZFMXIPJF-UHFFFAOYSA-N	415.858	4.897	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cs1	917561773	NDVQQJXFJVNSJT-LFIBNONCSA-N	420.469	4.821	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2cccc(C(=O)O)c2)c1)c1nc(N)c2ccccc2n1	1318585045	RFCBKZIPVRUICR-ODLFYWEKSA-N	422.444	4.553	50	20	HJGD	
Cc1c(/C=C(/C#N)c2nnc(COc3ccccc3-c3ccccc3)o2)cc(C#N)n1C	1322069148	JBYFUEYOJYYMGY-NDENLUEZSA-N	421.460	4.898	50	20	HJGD	
CC(=NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cc2cc(Cl)ccc2o1	1328626964	QTFKJMCMZUVDRH-UHFFFAOYSA-N	419.909	4.574	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)CCC(C)C)cc2)CCC1	1791256996	KRJZDUIHDATMLM-KRWDZBQOSA-N	409.368	4.730	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)[nH]n1	1820850944	KEIVHZGNTUBDNC-PBHICJAKSA-N	423.344	4.695	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)s2)CC1	1824612346	YGXXKAOFENUXSZ-JKSUJKDBSA-N	414.974	4.528	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1	1831790348	HOUDZFHVUTUKDB-WOJBJXKFSA-N	411.030	4.984	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OC(F)(F)F)c2)c1C	27133346	MGIUNMMYSAQFNQ-VEJKBTLKSA-N	421.419	4.757	50	20	HJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)o1	28495806	JMQOAJLRBGKJNF-KXGFGANYSA-N	400.434	4.518	50	20	HJGD	
N#C/C(=C\c1ccc(OCCC(=O)O)cc1)c1nc(-c2ccc(C#N)cc2)cs1	63279186	FSYBMQDVIMNMRX-WOJGMQOQSA-N	401.447	4.599	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC3CCCC3)nc2)c1C	726926209	RCSHSVPOFHVLTA-XNHPLOEXSA-N	422.529	4.574	50	20	HJGD	
O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)NNc1ccc(F)cc1	729054823	MKSIUNIBBVZREP-UHFFFAOYSA-N	415.472	4.564	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc(F)c(C)c3)cc2)n1	729141151	UCTIWWDDIMLMJR-UHFFFAOYSA-N	408.502	4.597	50	20	HJGD	
C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	730244480	WVPDCLPFPWYGJP-NVXWUHKLSA-N	416.653	4.852	50	20	HJGD	
CC(CCc1ccccc1F)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	734091572	FEOBQNRDYPBNBN-UHFFFAOYSA-N	403.672	4.502	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1	735687166	VWQYSZOPLJPLQK-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1cc(C)nc(C)n1)c(C)n2C1CCCCC1	736717032	RXLANTBNOGHAEH-UHFFFAOYSA-N	407.518	4.627	50	20	HJGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)C(=O)Nc1ccc(SC(F)F)cc1	737445092	YBZQKCMFGRBFNA-XFFZJAGNSA-N	404.829	4.848	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(-c2nc3ccccc3s2)o1	740140360	ZIBWFXNNJHZFFA-UHFFFAOYSA-N	404.373	4.727	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1cc(C)ccc1C)c1cccc(C(F)(F)F)c1	743820048	LWBIKSAIZMIHLP-UVTDQMKNSA-N	407.461	4.743	50	20	HJGD	
O=C(NNC(=O)N[C@@H](c1cccs1)C1CC1)Nc1ccc(-c2ccccc2)cc1	745408071	SEZLXAJNMITXOR-HXUWFJFHSA-N	406.511	4.902	50	20	HJGD	
COc1ccc(NNC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)cc1	746887933	YPCHKLMOOKCKLP-HXUWFJFHSA-N	400.450	4.950	50	20	HJGD	
O=C(Cc1csc(Cc2ccc(F)cc2)n1)NNc1ccc(Cl)cc1Cl	748007837	FMUADXFWGPRHBJ-UHFFFAOYSA-N	410.301	4.866	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1csc(-c2ccccc2F)n1	748074621	JQLDIJOIHIEVIW-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	748695654	PHWRUEFQOACASA-UHFFFAOYSA-N	411.361	4.508	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)cc1Cl	753298425	UWWRREOYVVBCPE-UHFFFAOYSA-N	419.897	4.883	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cc(-c2cccs2)nc2ccccc12	755182916	QICKJIOBEZKOIA-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2C)c1C	760668018	CVAFPOBJRWZFBI-GZTJUZNOSA-N	405.420	4.624	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12	765178453	XEYVMBZKXQCTOF-UHFFFAOYSA-N	412.421	4.727	50	20	HJGD	
N#C/C(=C\c1cnc(-c2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1Br	765614189	SFSVXHBNYWEEQI-OVCLIPMQSA-N	407.227	4.878	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NNc1ccccc1Cl	769984820	XVBBXYCBCINKPJ-OAHLLOKOSA-N	400.910	4.812	50	20	HJGD	
CCc1nn(C)cc1/C=C(\C#N)C(=O)c1cc(C)n(Cc2ccccc2Cl)c1C	770569814	WYMVIONVWKSKQG-WOJGMQOQSA-N	406.917	4.892	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C	777478646	HAECLCRWRZQSEX-UHFFFAOYSA-N	419.916	4.815	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](c3cccc(C)c3)C2)c1C	784521176	XGKDWCVPZMIBGQ-RPSNJDNHSA-N	405.542	4.544	50	20	HJGD	
CC(C)n1ncc2cc(/C=C(/C#N)C(=O)NCc3cccc(Cl)c3)c(Cl)nc21	786045215	ZDMPPBZJHIOUAW-CHHVJCJISA-N	414.296	4.542	50	20	HJGD	
COCCOc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1	787146542	ZETGCUUFVGFKQH-KWZJRMENSA-N	419.308	4.803	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ncc(Cc2ccccc2Cl)s1	790469194	QRFCGIJVFWOWQB-UHFFFAOYSA-N	421.841	4.583	50	20	HJGD	
Cn1cc(-c2nn(C)cc2C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	792548756	XCJSDYFFKUYKSR-UHFFFAOYSA-N	407.368	4.730	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1c(C)nn(Cc2ccccc2Cl)c1Cl	792633365	FYRRKWMOSCUMTE-GDNBJRDFSA-N	412.342	4.626	50	20	HJGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)c2ccc(F)cc2Br)C1	799109350	BISJDZRFWOXCTO-CYBMUJFWSA-N	404.283	4.735	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(Oc2ccccc2)cn1	799341858	DLVQMMWCMLLUHQ-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
CC1(C(=O)NNc2cccc3cnccc23)CCN(c2ccc(Cl)cc2C#N)CC1	804468622	ULNXFLBXGGOHAQ-UHFFFAOYSA-N	419.916	4.510	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)[C@@H](Sc1ccc(F)cc1)c1ccccc1	805467370	VHTFXWMUJLYULH-FQEVSTJZSA-N	408.502	4.860	50	20	HJGD	
O=P(CCN1CCCn2c(cc3ccccc32)C1)(c1ccccc1)c1ccccc1	805841063	DHPLSFMGSUROGP-UHFFFAOYSA-N	414.489	4.861	50	20	HJGD	
O=C(NNc1ncccc1F)Nc1cc(C(F)(F)F)ccc1SCC(F)F	806303447	NVZQPYDQGZOLGZ-UHFFFAOYSA-N	410.343	4.745	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1	808246869	LUIWBWOCHKYIGB-UHFFFAOYSA-N	415.114	4.556	50	20	HJGD	
C#C[C@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1	811963418	MIIATSVQXUAMFU-NRFANRHFSA-N	418.884	4.717	50	20	HJGD	
CC(=NNC(=O)COc1cc(C)ccc1C(C)C)c1nc2ccccc2n1C(F)F	812381354	RHGIBXMSQDSSAI-UHFFFAOYSA-N	414.456	4.782	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)cc(F)cc1F	817014738	WPADFTRRKJFXRI-UHFFFAOYSA-N	402.216	4.898	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1	818032180	SJXDZLQTPJTSKS-UHFFFAOYSA-N	400.482	4.595	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(-c3ccccc3Cl)s2)cc1C	874093704	SCELVVNBOKRQAC-UHFFFAOYSA-N	411.914	4.774	50	20	HJGD	
CCCOc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(CCC)c2C)cc1OC	914844622	QVQQWURHDYYZLU-KGENOOAVSA-N	409.530	4.536	50	20	HJGD	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1nc2ccccc2nc1Cl	915852008	IDLYXKJSFZPDCE-NTCAYCPXSA-N	414.852	4.991	50	20	HJGD	
CCCCOc1ccc(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1	916285146	UPZHYJZLGUJMFA-UHFFFAOYSA-N	415.708	4.567	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1C	920814524	IOOLAYMZTUOMEV-QCHZZTLLSA-N	417.553	4.898	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)c1ccc(Cl)cc1	1337475944	MDUAGTMTVDBMKZ-UHFFFAOYSA-N	409.698	4.502	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cc2ccc(C(F)(F)F)cc2[nH]1	1341588358	VSWPFNLPWNTSKZ-UHFFFAOYSA-N	421.766	4.647	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccccn3)CCC2)cc1	1786446027	FLVDFYJYOUFCQW-APWZRJJASA-N	413.949	4.727	50	20	HJGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2	1800077307	GEBSYMHJKWGRBJ-LRSLUSHPSA-N	410.945	4.623	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)s3)CC2)C1	1805259178	KHOVOAUVHWHYLN-UHFFFAOYSA-N	417.402	4.511	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2)n[nH]1	1816959207	BBEWKXIDUXIJPJ-JXGFJBPRSA-N	414.937	4.523	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1	1824614386	MPVKKXHNJPNIAL-ILXKITPQSA-N	423.022	4.789	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c1C	10403570	WSIWPQUFDQBRBP-IREQLNLFSA-N	416.319	4.621	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N(C)[C@@H](C)c3cc4ccccc4o3)cc2C1	109430892	BZLPGKMIRCNWPZ-KBPBESRZSA-N	411.527	4.667	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1	110960410	UITDIJAEDQJVIP-UHFFFAOYSA-N	400.360	4.505	50	20	HJGD	
CCCOc1ccc(OC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	255950570	PJUIGNNMGCVGII-POEBIKTISA-N	408.498	4.585	50	20	HJGD	
O=C(Cc1ccc(Br)cc1)NNc1ccc(Br)cc1Cl	729275843	WDYVNYSCOZBOIO-UHFFFAOYSA-N	418.516	4.551	50	20	HJGD	
CC(C)(C(=O)NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1ccccc1	731151153	RZFLPCSFMHUTMK-UHFFFAOYSA-N	407.901	4.742	50	20	HJGD	
O=C(Cc1ccccc1C(F)(F)F)NNc1ccc(Br)cc1Cl	733808277	WLBUELXXXYKIEI-UHFFFAOYSA-N	407.617	4.807	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	733810666	UHHVPLJVGFSOJO-OAQYLSRUSA-N	422.460	4.885	50	20	HJGD	
CC[C@@H](NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(F)cc1F	738417680	STCPCOZVVNWATC-HSZRJFAPSA-N	421.447	4.654	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)c(C)n1[C@@H](C)c1ccccc1	740140366	ZLZKHHWXJRPQOO-AWEZNQCLSA-N	402.420	4.885	50	20	HJGD	
CNC(=O)c1cc(C)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	741198610	IBRUTLPMEIXRCG-XSFVSMFZSA-N	418.541	4.824	50	20	HJGD	
COc1ccc(C=NNC(=O)Nc2ccc(-c3ccccc3)cc2)c(OC)c1OC	741765578	HFYOQXYBFPCBOS-UHFFFAOYSA-N	405.454	4.535	50	20	HJGD	
CN(C)c1ccc(NC(=O)NNC(=S)Nc2ccccc2Oc2ccccc2)cc1	741855755	AHMRVRLZSRBCOC-UHFFFAOYSA-N	421.526	4.568	50	20	HJGD	
CCCCCC[C@H](C)C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	743334704	NCQQTFKRPSWZFI-KRWDZBQOSA-N	403.548	4.537	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1	744502447	QLZWQLVQHFKZIM-LZNAANCOSA-N	407.857	4.834	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1	744595264	FXCVSBHOKVJEAQ-UHFFFAOYSA-N	422.504	4.589	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1Sc1ccccc1	748722269	OBYSPXKQZJJPGK-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)c1	748785068	KRBQDFAOWFWEIM-UHFFFAOYSA-N	409.486	4.694	50	20	HJGD	
CC[C@@H](C)Oc1cc(C=NNC(=O)c2ccc(COc3ccccc3)o2)ccc1OC	749443036	CCZNGTKZHFSGOS-QGZVFWFLSA-N	422.481	4.808	50	20	HJGD	
O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NNc1cc(Cl)ccc1Cl	752810098	FQECIPRFNMLENU-CQSZACIVSA-N	416.717	4.593	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2sc3ccccc3c2C)cc1	760131951	GXDXOOVEULRICU-ATVHPVEESA-N	405.475	4.942	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	765013960	DAEWTBNJCPAQHI-UHFFFAOYSA-N	413.437	4.512	50	20	HJGD	
CCCOc1ccccc1NC(=O)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	766259748	IXCGNJXHCWMMGG-UHFFFAOYSA-N	416.692	4.517	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(Cl)cc(Br)c1F	768093947	UJLDXTWSHLMWAH-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CCCCOc1ccc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c(Cl)c1	769920050	PDTKTJKTZPPQSM-UHFFFAOYSA-N	415.704	4.901	50	20	HJGD	
C[C@H](c1cccc(NC(=O)NNc2ccc(Cl)cc2Cl)c1)N1CCOCC1	770026152	GZFKOPAEBBZPRL-CYBMUJFWSA-N	409.317	4.535	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3cscc3Cl)cc12	771871737	GNUWWGMYRMUVFO-UHFFFAOYSA-N	400.916	4.874	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(-c2nc3ccccc3s2)o1	775254680	SKNRPNJWNOAPTJ-UHFFFAOYSA-N	404.373	4.727	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c(C)n1C[C@H]1CCCO1	775557982	FACDYHCMTJEGAA-XOYGFPHKSA-N	414.509	4.825	50	20	HJGD	
COC[C@@H](C)n1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1	777659085	HWJNYHRCNCENII-SNVBAGLBSA-N	421.413	4.549	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)ccc1Br	778392291	JWZHCFIMHDOVAC-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
CN(c1ccccc1)c1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cn1	779207454	XFLFIAOFMDWEOF-UHFFFAOYSA-N	402.376	4.505	50	20	HJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3	783699376	CTTKEHACZWLBIL-YRNVUSSQSA-N	412.858	4.901	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1	786045226	ZLGPRCDDXGQXDT-UDWIEESQSA-N	417.490	4.644	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c1C	786316217	PKQOVVATRFPUSB-AZZDOICSSA-N	410.465	4.775	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1OC	787144641	KIALRRINWIVLGC-ZMTLZGASSA-N	405.281	4.795	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	787253557	VAFNOSQZLZQMKJ-WJDWOHSUSA-N	405.841	4.565	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2c(Cl)cccc2CC)cc(OCC)c1OCC	788699529	YDRBWSOGRADCQG-UHFFFAOYSA-N	418.921	4.862	50	20	HJGD	
CCCCCCNC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccnc1	797327157	YAFSCWUFHFGASR-JCMHNJIXSA-N	413.525	4.597	50	20	HJGD	
Cc1ccc(CNC(=O)C2CCN(Cc3ccc(OCCCCl)cc3)CC2)cc1	811459678	KZEXWOOQNVSUCK-UHFFFAOYSA-N	414.977	4.531	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=C3CC[C@@H](C(=O)O)[C@H](C)C3)c3ccccc3n2)cc1	814713795	IVCMSPHXNALDPP-VQIMIIECSA-N	415.493	4.817	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3ccccc3)C2)c1C	817109007	ZLJQFNVNOZEYEZ-RXGUQILOSA-N	405.542	4.626	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccccc2OCc2ccccc2C)c(C)c1	818296873	UTFTVFPBVPBEEV-UHFFFAOYSA-N	419.550	4.822	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2	914844339	WNUOPSNTBLXUCS-ICFOKQHNSA-N	415.493	4.656	50	20	HJGD	
COc1cc(/C=C(/C#N)c2ccccn2)ccc1OS(=O)(=O)c1cc(C)ccc1C	915841083	OOLTZJWYDDXKGY-UYRXBGFRSA-N	420.490	4.539	50	20	HJGD	
N#C/C(=C/c1cc(Br)cs1)C(=O)Nc1nc2ccccc2nc1Cl	915851750	BXCMJZDWVJOONL-UITAMQMPSA-N	419.691	4.653	50	20	HJGD	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1nc(C(C)(C)C)cs1	915863706	IZQWLSKNGBPQIT-GHXNOFRVSA-N	420.332	4.757	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cccc(OCC#N)c3)n2)c1	917622914	GIDFOCARXSMPRT-WQRHYEAKSA-N	414.490	4.875	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNC(=O)c1cccc3ccccc13)c(C)n2C1CC1	1252080902	XLGJKBDDVZKJCM-UHFFFAOYSA-N	413.477	4.521	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C)cc2)CCC1	1787795255	DTWUXDVROGADEQ-LJQANCHMSA-N	414.933	4.525	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C)c(C)c3)CC2)C1	1806162822	BQBQGIGCTANGCA-HXUWFJFHSA-N	404.982	4.556	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CC=CCC1)c1ccc(CSc2ccc(Cl)cc2)cc1	21875921	SYSGCWWGSMWWKL-MRXNPFEDSA-N	400.931	4.750	50	20	HJGD	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNc1ccccc1C(F)(F)F	30872888	OWVCMJOLYLQHLA-UHFFFAOYSA-N	409.408	4.957	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2csc(-c3ccsc3)n2)cc1	63276369	XVOIAVRBQZPGQT-DHDCSXOGSA-N	409.492	4.594	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	210575465	ZCSZECKUNUYMBC-MTOJCTJASA-N	408.864	4.758	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2csc(N(C(C)=O)c3ccccc3)n2)c1	212142058	GRXROLNBDNYXQG-BOPFTXTBSA-N	403.463	4.626	50	20	HJGD	
CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NNc2ccc(OC(F)F)cc2)cc1	726706963	LMXDKDCDDQVOPD-OAHLLOKOSA-N	407.461	4.723	50	20	HJGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)c1nc(O)c2cc(Br)ccc2n1	727974579	NFNYJDYWDHRQEG-OQFOIZHKSA-N	406.161	4.579	50	20	HJGD	
CCOC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C1	733763412	UEUHDMZFYOOJKS-KURUZVKSSA-N	405.542	4.585	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c(SC)cc1OC	741165500	MVCAHYULJRULHW-JYRVWZFOSA-N	422.428	4.990	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cn(-c4ccccc4)nc3-c3cccnc3)nc12	741472931	MABNSRQBRWJUJQ-LDADJPATSA-N	403.449	4.578	50	20	HJGD	
C[C@H](O)[C@@H](C)SCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	742460724	YMSFUINMBKGUEU-LSDHHAIUSA-N	410.461	4.575	50	20	HJGD	
C[C@@H]1CCN(C)c2ccccc2N1CCP(=O)(c1ccccc1)c1ccccc1	746474022	ZTTIKDDOAUTZKG-OAQYLSRUSA-N	404.494	4.736	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3ccc(Cl)cc3Cl)cs2)cc1OC	748009129	DQPCAHMNFUCBLN-UHFFFAOYSA-N	424.309	4.891	50	20	HJGD	
C[C@@H](C(=O)NNc1ccccc1Br)c1ccc(Br)s1	748058276	GSJZTPGXESVGLV-MRVPVSSYSA-N	404.127	4.520	50	20	HJGD	
CCCN(CC)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	749720546	NYPSSPKQOLYCHZ-UHFFFAOYSA-N	410.396	4.607	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	750039529	PLNDRCNRIIVYAQ-WSDLNYQXSA-N	419.460	4.563	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c2ccc(F)c(F)c2)c1C	750979971	VLDIARSCGDWXFO-YQYFLZKSSA-N	415.484	4.549	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCC4(CCOCC4)CC3)cc12	751516046	JIIBFYROJWXZRF-UHFFFAOYSA-N	422.554	4.852	50	20	HJGD	
CCc1nn(C)c(OC)c1CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752983526	YVXGWNQCULJCSO-UHFFFAOYSA-N	414.400	4.970	50	20	HJGD	
CCn1ccnc1C=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	755497636	NCUYXSABDPMQDT-UHFFFAOYSA-N	403.873	4.536	50	20	HJGD	
N#C/C(=C/c1cc(F)ccc1Br)S(=O)(=O)c1ccc(Cl)cc1	761202699	VSHLPHARXNPHLW-ZSOIEALJSA-N	400.656	4.580	50	20	HJGD	
C[C@@H](Oc1cccc(Br)c1)C(=O)NN=Cc1csc(Cl)c1Cl	761768579	GMTPKPCTSTZZRK-MRVPVSSYSA-N	422.131	4.735	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1N1CCCC1)c1cc(F)ccc1Br	763361864	AXRFNYIPUNZZFI-UHFFFAOYSA-N	424.701	4.606	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNc2c(Cl)cccc2Cl)c1C	763612035	GBBNZGBKPVUJQR-LWLPBDFMSA-N	421.328	4.669	50	20	HJGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	766290206	ULGVWXMGTOOPDR-OSRZUJQASA-N	404.595	4.506	50	20	HJGD	
CCCN(CC)C(=O)c1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	767404366	AYSVGNGEXSMXSZ-UHFFFAOYSA-N	412.292	4.762	50	20	HJGD	
CCn1nc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc21	769730398	YVAWHWDUOQTEOG-RAXLEYEMSA-N	406.294	4.701	50	20	HJGD	
O=C(NNc1ccccc1)Nc1ccc(Br)cc1-c1nc(C2CC2)no1	770061679	SVZABDOXEDQVIU-UHFFFAOYSA-N	414.263	4.525	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)CCCC(F)(F)F)c(C)n1C[C@@H]1CCCO1	774724562	WPGZKZQXQZPKDX-IMTAPYGQSA-N	412.452	4.855	50	20	HJGD	
O=S(=O)(NCCOc1ccccc1F)c1cccc(S(F)(F)(F)(F)F)c1	777852351	CFHMYGKERXVPAB-UHFFFAOYSA-N	421.384	4.840	50	20	HJGD	
O=C(Nc1ccc(OC2CCCC2)cc1)C(=O)NN(c1ccccc1)c1ccccc1	782822347	VIZXTRHKDAWNOC-UHFFFAOYSA-N	415.493	4.816	50	20	HJGD	
COc1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c(OC)n1	782911543	WOXFTOSWLLEFOP-UHFFFAOYSA-N	420.381	4.557	50	20	HJGD	
O=S(=O)(Nc1ccc(OCCO)cc1)c1ccc(S(F)(F)(F)(F)F)cc1	782913400	QGMRSILTIZHFJY-UHFFFAOYSA-N	419.393	4.516	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)CCCC[C@H]2CCSS2)C1	784750441	KJIODMCYIWOCRX-JXFKEZNVSA-N	416.653	4.854	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1	785158992	UOEGXJMMNSCYNA-UHFFFAOYSA-N	408.527	4.516	50	20	HJGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1	791924518	KKSDPXHMVXZUNM-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1	799755288	AWWRRDPBMHNVIY-UHFFFAOYSA-N	410.436	4.583	50	20	HJGD	
Cc1ccc2c(C(=O)NNc3cc([N+](=O)[O-])ccc3Br)csc2c1	800616277	HZIDFMSAEFFJEH-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
O=C(NNc1ncccc1F)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12	806253415	LLZXSCQRIVGTAK-UHFFFAOYSA-N	407.380	4.849	50	20	HJGD	
Cc1cc(NNC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)ncn1	806863608	MWZTXQDJJAACOQ-UHFFFAOYSA-N	422.341	4.636	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1cccc(-c2ccccc2)c1	806999239	GWGJQEFKXVGXEF-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
CSCC[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N(C)C	808843846	JMUMSKVHAUNRMS-LBPRGKRZSA-N	421.457	4.675	50	20	HJGD	
COCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1c(C)cccc1C(C)C	812768050	BZPUJYTZDQRSQR-UHFFFAOYSA-N	403.504	4.522	50	20	HJGD	
Cc1c(C(=O)NNc2oc(C(C)C)nc2C#N)sc2ccc(Br)cc12	814669300	QGMIAHIJSIWQMO-UHFFFAOYSA-N	419.304	4.712	50	20	HJGD	
C[C@@H]1C(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC[C@H](C(=O)O)C1(C)C	814770039	NXXGKAOIXJLOSE-IUODEOHRSA-N	402.491	4.797	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cn(CCC#N)c3ccccc23)cc1	915906131	LAEJHXGYRHBEHH-UHFFFAOYSA-N	409.493	4.726	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3C)cc2C=NNC(=O)c2cccnc2)cc1	916252914	WOFRVTXWOVAMBK-UHFFFAOYSA-N	409.493	4.569	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2c(F)cccc2F)c1C	918818508	RUKWYRAPWRASOY-TVSILOOVSA-N	402.441	4.802	50	20	HJGD	
O=C(NC1CCN(c2ccccc2)CC1)NN(Cc1ccccc1)c1ccccc1	919783163	GDFPJOVSLAKXDM-UHFFFAOYSA-N	400.526	4.576	50	20	HJGD	
Cc1ccsc1C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Br)CCC2)cc1	1787279425	MNLKKNWQLDERKW-ZDUSSCGKSA-N	421.360	4.588	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1	1790484310	LOFKOXSMAUPGPX-KRWDZBQOSA-N	412.908	4.963	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)ccc3C)CCC2)cc1	1790490047	QPQBWMQAAPAYNV-FQEVSTJZSA-N	414.933	4.769	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c(F)c3)cc2)CCC1	1790651284	ZRIMJIRMKIUYQO-KRWDZBQOSA-N	418.896	4.687	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccsc2)n[nH]1	1815980558	VBBFZUBXGDFLHE-QDUBOOTOSA-N	420.966	4.584	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2C)CC1	1824617911	IUEMTSZLWNIBJX-YADHBBJMSA-N	419.009	4.944	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C	105287461	KDQCCFHUMCYJSP-DUPVFGOHSA-N	405.420	4.877	50	20	HJGD	
CCc1nc(CCNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cs1	726555857	DDIJIMPFMLZQDS-UYRXBGFRSA-N	410.587	4.895	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)Cc2ccc(CN(C)C)cc2)c1C	727399681	OVNSLLOGAPVTBP-BUVRLJJBSA-N	406.574	4.532	50	20	HJGD	
COc1ccc(N(Cc2ccco2)S(=O)(=O)c2ccc(CCCl)cc2)cc1F	739675169	XVKKUYJZPJXLLV-UHFFFAOYSA-N	423.893	4.604	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1C#N	741760868	UDTATDLESSESNY-UHFFFAOYSA-N	424.435	4.685	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1Br)C(=O)N(CC(F)(F)F)C1CC1	742434370	HRBSGZGDURYEAN-BJMVGYQFSA-N	407.617	4.563	50	20	HJGD	
COc1ccc([C@H](Cc2ccccc2C)NC(=O)NNc2ccc(F)cc2)cc1OC	743341224	JQJQBYVPOAKTRU-NRFANRHFSA-N	423.488	4.761	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1nccnc1-c1nc2ccccc2s1	747405823	NMTFDFGMHYZRQN-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(-c2ccncc2)cc1	747493738	HAIGMYZHPQXHDM-QGZVFWFLSA-N	410.477	4.607	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccccc1C(=O)c1cccs1	748075206	LQQAIDMSQKDFOF-UHFFFAOYSA-N	419.275	4.638	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cccc(OCc2cn3ccccc3n2)c1	748569581	JLDNWTNSDIREPW-UHFFFAOYSA-N	412.493	4.549	50	20	HJGD	
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNc1cccc2cnccc12	748770211	YNWKHCWJULWDNX-LLVKDONJSA-N	420.694	4.561	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)NNC(=O)c3ccc4ccccc4c3)cc2)nc1	756563973	QLVPTZBJOSBWHK-UHFFFAOYSA-N	412.449	4.802	50	20	HJGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(F)(F)F)cc3)s2)n1	759085400	BGAODHKNLAKMOT-JLHYYAGUSA-N	402.401	4.713	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@@H]1C[C@H]1c1ccccc1	762642501	SQQDAIKJFLVATD-LSDHHAIUSA-N	406.376	4.955	50	20	HJGD	
C[C@H]1C[C@H](CCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	762680153	RRVZCDUDJIFMNG-NWDGAFQWSA-N	416.412	4.604	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1ccccc1NCc1ccccc1Cl	764262440	XMBIOBTWMUTMJF-UHFFFAOYSA-N	403.873	4.652	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(Br)c(Cl)c2)cc1C(F)(F)F	764324799	RUGHHTBCWAQEKY-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1	769975356	VKPCHSUVXCIZCH-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
CN1CCN(c2ccc(/C=C(\C#N)C(=O)c3c(Cl)cccc3Cl)cc2)CC1	771522189	YGQHCILOONEHDA-DTQAZKPQSA-N	400.309	4.535	50	20	HJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2ccc(Br)c(F)c2)c1	771675143	OXSOBFMMTVIQKH-UHFFFAOYSA-N	416.088	4.724	50	20	HJGD	
CCN(CC)C(=O)c1ccc(NC(=O)NNc2ccc3ccccc3n2)cc1Cl	775476708	BUZBRYOAXPMSLT-UHFFFAOYSA-N	411.893	4.519	50	20	HJGD	
CN(C[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	778253703	SKUJVIHVBGDNCI-WHOFXGATSA-N	410.889	4.921	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC(Cn2cncn2)CC1	779453368	XZZGJIFCGRWHOE-UHFFFAOYSA-N	411.400	4.880	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1C	789998348	ALHNYEFAAZSBKA-YQYFLZKSSA-N	422.554	4.670	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccc(Oc2ccc(Cl)cn2)cc1	790509337	QRBLPBDTLSDUAN-UHFFFAOYSA-N	417.784	4.723	50	20	HJGD	
COC(=O)[C@H]1CC12CCN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)CC2	792866521	IHONGGRCXDPCRE-HXUWFJFHSA-N	403.639	4.984	50	20	HJGD	
C/C(C=NNC(=O)c1nnc(-c2ccccc2)o1)=C\c1ccccc1C(F)(F)F	799877149	OUOKZAOYTKVTHK-CHUGNNDZSA-N	400.360	4.575	50	20	HJGD	
CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NNc1ccccc1F	807118217	GXTGYFXXJQWLEW-GOSISDBHSA-N	401.482	4.561	50	20	HJGD	
Cc1ccc(-c2ncccc2NC(=O)C(=O)NNc2c(C)cccc2C(C)C)s1	813048272	QQTQWPIISAWNOB-UHFFFAOYSA-N	408.527	4.632	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3CCC[C@H]3C(C)(C)C#N)cc2)n1	814702091	LYHKMAZVGABCJI-LJQANCHMSA-N	421.570	4.821	50	20	HJGD	
Cn1ccc2c(C(=O)NNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21	817014388	GHWTZRPVJXCSSU-UHFFFAOYSA-N	401.310	4.973	50	20	HJGD	
O=C(CCn1cnc2ccccc21)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015739	PNWSXZJEEPCUBJ-UHFFFAOYSA-N	416.325	4.607	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1CCN2CCC[C@H]2C1	915683548	VFWPGTQKQHJDLI-HUBLWGQQSA-N	407.889	4.654	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2COC(C)C)c(C)n1CC(C)C	918562796	QMWRPGRWKYBEMH-WYMPLXKRSA-N	407.558	4.909	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(SCc3ccccc3)cc2)c1	918687570	UDDKPGHEABGJBQ-UHFFFAOYSA-N	407.564	4.919	50	20	HJGD	
O=C(NN=Cc1ccc(OC(F)F)cc1OC(F)F)C12CC3CC(CC(C3)C1)C2	1248411425	XIYCEUIWOUEYTP-UHFFFAOYSA-N	414.399	4.556	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2nc(-c3ccccc3)oc2C2CC2)cc1	1319914000	UIXXAKMGDVALJK-UHFFFAOYSA-N	403.482	4.591	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccccc1Br)c(C)n2C1CC1	1322846355	PMVNWHLRLFIHCS-UHFFFAOYSA-N	414.303	4.813	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1nc(C2CC2)n(-c2ccccc2)n1	1325621298	GVZVLALFHKRVSR-UHFFFAOYSA-N	422.703	4.862	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1	1785799403	AMUYGCGFDWSXGH-RHSMWYFYSA-N	412.908	4.963	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1	1786069773	FRHAKOYNUUXTAH-CQSZACIVSA-N	409.368	4.588	50	20	HJGD	
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)o2)cc1C	7736265	LCRRAMUYTDXTIT-AWEZNQCLSA-N	417.494	4.676	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)C(C)C)c(C)n1C[C@@H]1CCCO1	22197417	KGNALVFFOZYCIW-PQBKBUHISA-N	405.542	4.628	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3OC)cc2)cc1OC	303820014	FKYWAYNLAJWIIY-XMHGGMMESA-N	414.461	4.925	50	20	HJGD	
O=C(NC[C@H](O)c1cccc(F)c1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	728735071	JUGJOOPVJFDYTG-ZFWWWQNUSA-N	422.831	4.900	50	20	HJGD	
CCc1nc(C)c(C(=O)NNc2ccc(Br)cc2C(F)(F)F)s1	731477663	MBDDOWQKDNKOTH-UHFFFAOYSA-N	408.243	4.552	50	20	HJGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)S(=O)(=O)c1cc(Cl)ccc1Cl	731836038	ZTUPYQZSGOFZHK-DHDCSXOGSA-N	405.262	4.987	50	20	HJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1	737777670	LIGKSPIVETXJSU-QGZVFWFLSA-N	421.566	4.817	50	20	HJGD	
COc1ccc2c(c1)OCC[C@H]2NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	741960682	WLBWLRAFGUOWQR-JPFXZVHCSA-N	421.541	4.707	50	20	HJGD	
Cc1c(-c2ccccc2)oc2c(C(=O)NNc3ccc(Cl)nc3)cccc2c1=O	743816570	RRYQPIXDJDPUAF-UHFFFAOYSA-N	405.841	4.574	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cc(C2CC2)nc2ccc(F)cc12	743821672	VAMJXKFHEFNPDI-UHFFFAOYSA-N	422.529	4.754	50	20	HJGD	
O=P(CCN1CC[C@@H](COCc2ccccc2)C1)(c1ccccc1)c1ccccc1	744411145	JROFTVNXDHMGJC-XMMPIXPASA-N	419.505	4.539	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1ccc(-c2ccncc2)cc1	746424326	AADSPKXJWRZXJQ-SFHVURJKSA-N	424.504	4.536	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CCc2ccncc2)c(C)n1-c1cccc(Cl)c1	748727591	HCCKRGWNMLKUSO-STZFKDTASA-N	418.928	4.751	50	20	HJGD	
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)NNc1ccc(Cl)c(F)c1	748874217	ADTFYOMSCMWMCZ-UHFFFAOYSA-N	402.809	4.529	50	20	HJGD	
COC(=O)c1cc2c(/C=C(/C#N)C(=O)c3c(C)[nH]c4ccccc34)ccc(OC)c2o1	748994582	OUPVSZDEOATIMS-GDNBJRDFSA-N	414.417	4.808	50	20	HJGD	
C=CCN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1	752971598	COTFJWXJEWLTIC-GFCCVEGCSA-N	420.425	4.551	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1nc(-c2cccc(F)c2)no1	753006674	KKUMJONITCQWFL-VIFPVBQESA-N	410.236	4.570	50	20	HJGD	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2c(Cl)cccc2Cl)c1	763614862	IOEMFHWYLKFFKK-UHFFFAOYSA-N	400.693	4.998	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3c(Cl)cccc3Cl)cs2)cc1OC	763617221	HDBLBKCDZZMQOM-UHFFFAOYSA-N	424.309	4.891	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cn(CCCC#N)c2ccccc12	768091089	SSLHEYCKZCUIRC-UHFFFAOYSA-N	411.303	4.773	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2c(C)cc(C)cc2C)c1C	768748483	PAKZCXJKZNCMAU-VCYKRWNGSA-N	422.525	4.571	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccc(C2SCCS2)cc1	771674314	NIHGUDNDCNMXTK-UHFFFAOYSA-N	413.337	4.824	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1	772815173	KBDBQVXEFCTNHR-UHFFFAOYSA-N	402.454	4.682	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)NNc1ccc(F)cc1)C(F)(F)F	775996995	RNIHCAFTRBOENH-GOSISDBHSA-N	421.398	4.558	50	20	HJGD	
CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776647220	BYHURCHWFHXMTA-UHFFFAOYSA-N	417.377	4.867	50	20	HJGD	
CC(C)c1nc([C@@H](C)NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	778036653	FMXNLNLKECPHGS-SECBINFHSA-N	420.429	4.625	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	781033432	ZXVFQGPZBPCRPU-UHFFFAOYSA-N	408.182	4.721	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1F)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	782196941	CCCNKTZZZUIQBH-LFYBBSHMSA-N	415.833	4.559	50	20	HJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	782522171	ACTQUGJUCNYPRG-YSLLPBIDSA-N	403.360	4.552	50	20	HJGD	
Cc1ccc(F)c(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	783462109	ZLDOWDDCSZIRNR-UHFFFAOYSA-N	419.368	4.910	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ncc(-c2ccc(Br)cc2)o1	785349841	CTVRFUAAKPYJSZ-MHWRWJLKSA-N	409.239	4.754	50	20	HJGD	
CCc1c(C(=O)NNC(=S)Nc2ccccc2C(C)C)cnn1C(CC)CC	792315803	QCDCIVCLQKJWST-UHFFFAOYSA-N	401.580	4.561	50	20	HJGD	
CCS(=O)(=O)C1CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1	792880109	ACJKDJKNGBNZRF-UHFFFAOYSA-N	411.684	4.608	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCC[C@@H]1c1cc[nH]n1	796031624	CXNXBOUESZWOSI-CQSZACIVSA-N	417.425	4.983	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1	798982250	GVHPANPKQUYHPE-LLVKDONJSA-N	406.326	4.893	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccc(Oc2cccnc2)cc1	807619228	TVWITNHNQCXBBX-GFCCVEGCSA-N	402.376	4.679	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1ccc(CSc2nc(C)cs2)cc1	816338067	TXIQLSYZJDGMQE-UHFFFAOYSA-N	403.504	4.648	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cccc(Cl)n3)c3c(C)noc3n2)c(C)s1	817004420	AZYJOPWHRUDLJC-UHFFFAOYSA-N	413.890	4.682	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1	841203339	MDIXMZXPJJXYAK-UHFFFAOYSA-N	413.865	4.545	50	20	HJGD	
O=C(CCCOc1cccc(Cl)c1Cl)NNc1ccc(OC(F)F)cc1	857474122	SOMCMHDVNUWOCJ-UHFFFAOYSA-N	405.228	4.897	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Br)c([N+](=O)[O-])c1	915848179	UEAVWSDIALWLJL-GHXNOFRVSA-N	420.650	4.865	50	20	HJGD	
Cc1cccc2cc(C=NNC(=O)CCSc3ccc(F)cc3)c(Cl)nc12	916345707	BHVVCADTMSUQAT-UHFFFAOYSA-N	401.894	4.968	50	20	HJGD	
COc1ccc(Br)c(CNC(=O)CCCC[C@@H]2CCSS2)c1	918111348	MCIQSGHQNVBQTP-CQSZACIVSA-N	404.395	4.788	50	20	HJGD	
CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)[C@H](C)CBr)cc2)CCC1	1786065851	PDLGZLRGFFKGER-LSDHHAIUSA-N	409.368	4.588	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(OC)c3)CCC2)cc1	1790488307	AAPVZEFJLGPEQB-HXUWFJFHSA-N	414.933	4.769	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)CN(CC)CC)cc2)CCC1	1791060601	AFTFEUHYYVZKND-PXNSSMCTSA-N	422.013	4.506	50	20	HJGD	
C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)Oc1ccccc1	1791143656	MVYRBOXSEVKMJB-YWZLYKJASA-N	418.896	4.513	50	20	HJGD	
Cc1cscc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824012879	YIWXMHRVWKUXFJ-GOSISDBHSA-N	411.011	4.555	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(F)cc3)c2Cl)c1	7158504	JHDLECGVDRZRRE-GZTJUZNOSA-N	408.864	4.886	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1sccc1-c1ccccc1	15756355	ZQNKPAVBIRQMQQ-MRXNPFEDSA-N	416.502	4.797	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2c(C)cc(C)cc2C)c1C	24196056	PAKZCXJKZNCMAU-QKXOWGBTSA-N	422.525	4.571	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)c1C	60033794	OWYWZSFNBHGSCA-ZPWPBLDLSA-N	421.541	4.927	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(/C=C(/C#N)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	208103039	ISEHSJRJVGPYJJ-XKZIYDEJSA-N	405.523	4.503	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NNc2ccc(Br)cc2)c1C	725882029	FTJQXGAOHHYYIH-ATVHPVEESA-N	415.335	4.718	50	20	HJGD	
CN1/C(=C/C=NNC(=O)c2cc(F)ccc2Br)C(C)(C)c2ccccc21	728436491	SFHJJVIFRJCCCC-TVLRJAPGSA-N	416.294	4.615	50	20	HJGD	
CC[C@H](C(=O)NNC(=S)Nc1ccccc1Oc1ccccc1)c1ccccc1	731941089	MXMJFAGUWNCFQZ-IBGZPJMESA-N	405.523	4.990	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC3CC3)cc2)c(C)n1C[C@@H]1CCCO1	733117024	KJJGUOPQEPCQCU-GXPYYPFNSA-N	419.525	4.618	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2cnnc3ccccc23)cc1C	733813549	UZZZFNXBVUZGCC-UHFFFAOYSA-N	401.495	4.550	50	20	HJGD	
CSc1ccc(Cl)c(C(=O)NNc2c(F)cc(F)cc2Br)c1	741977179	GPPOHXPEZSFBAH-UHFFFAOYSA-N	407.667	4.860	50	20	HJGD	
N#Cc1ccc(C=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1	743420540	DVWLOVMDEBASAE-UHFFFAOYSA-N	400.825	4.784	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCC2(c3ccc(F)cc3)CCCC2)c(Cl)c1	743553314	IDUNUDNQXGHDKI-UHFFFAOYSA-N	418.900	4.635	50	20	HJGD	
Cc1csc([C@@H](NC(=O)NNc2nc(Cl)c(Cl)cc2Cl)C2CC2)n1	745863597	HLTAGTMIMYRLNL-JTQLQIEISA-N	406.726	4.584	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1OCCCC#N	747361438	MVYQFFKTLQOWGD-XNTDXEJSSA-N	413.836	4.716	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)n1	748333465	DXWSCCBIQKTEHT-UHFFFAOYSA-N	414.705	4.626	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(N2CCCC2=O)CC1	752979388	AEGMUIJCKOCWNR-UHFFFAOYSA-N	413.412	4.963	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	756032389	TXNARAWLNAPIKV-CYBMUJFWSA-N	424.353	4.747	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)o1	756364212	RKLFEIVMYNVJII-UHFFFAOYSA-N	420.400	4.534	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c1	759311479	WORGVEZDQQXDCA-UHFFFAOYSA-N	403.413	4.913	50	20	HJGD	
CCN(CC)c1ccnc(NNC(=O)c2sc3cc(Cl)ccc3c2Cl)n1	762898605	KIIIPCDJJBMEGE-UHFFFAOYSA-N	410.330	4.601	50	20	HJGD	
CCC(=O)c1ccc(OC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c(F)c1	766551257	SZMAIOBSWHYTNW-FHTAPLDASA-N	424.472	4.528	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCC1	769933465	BJRZIMRAXJRTNP-UHFFFAOYSA-N	407.301	4.768	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccccc1C(=O)c1cccs1	771682701	SVPZLVDRXQITLP-UHFFFAOYSA-N	419.275	4.638	50	20	HJGD	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCCC[C@@H]1CCSS1	772196393	SPVUGUUBXFLBPI-OWCLPIDISA-N	402.626	4.605	50	20	HJGD	
O=C(NNc1c(F)cccc1F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	773714812	YYSLNALFAOYBNT-UHFFFAOYSA-N	417.306	4.704	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	775252549	NRKXSUMVXCAZDG-UHFFFAOYSA-N	411.305	4.942	50	20	HJGD	
O=C(O)c1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1O	776460311	VCJPZLGATUVWQB-UHFFFAOYSA-N	419.349	4.549	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F	781368100	KQOGMHVYZZGDKG-HOTGVXAUSA-N	407.523	4.653	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(Cl)c(OC)cc2Cl)cc1	787153580	FOFNCYPPXSBZLD-IYVNWDGISA-N	405.281	4.795	50	20	HJGD	
COc1cccc([C@@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)c2ccccc2Cl)c1	787386578	DRWGILNSKHUFTJ-PZSRYKBRSA-N	418.880	4.867	50	20	HJGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cn1	790100590	OREJZKANUMRLKQ-MLJKTZRHSA-N	403.313	4.629	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccccc1OC(F)(F)F	795275190	ZWTITOPGEYMIFW-UHFFFAOYSA-N	411.767	4.959	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccn3)C2)c(C)n1-c1ccc(F)cc1	798709703	VGFNSBWKKWZHCL-ORTNRGLGSA-N	414.484	4.551	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCC34CCC4)s2)cc1	799883015	MNQWNZWCDZJGHZ-UHFFFAOYSA-N	418.613	4.667	50	20	HJGD	
C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	806402419	UZZWGJWZRHJJRQ-GXTWGEPZSA-N	415.428	4.671	50	20	HJGD	
COc1ccc2c(C)c(CCC(=O)NNc3c(C)cccc3C(C)C)c(=O)oc2c1	812767137	TZOTWQVKYCLEQH-UHFFFAOYSA-N	408.498	4.618	50	20	HJGD	
Cc1cccc2c1[C@H](OC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]3CCCO3)c1C)CCO2	814031875	AMVCXXFCLUDDDH-PVLVKWEJSA-N	420.509	4.566	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)N2CCCCCCC2)c(-c2ccc(Cl)cc2)n1	818015667	YNYSZSPQPBUOOI-XDJHFCHBSA-N	421.932	4.817	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1	893803503	JLPVMSCQCWGPQY-TYSUYXETSA-N	408.498	4.667	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1	899895090	IUIXQDJOBRMAGA-YBEGLDIGSA-N	409.536	4.802	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCc2cccc3ccccc23)c1C	915179102	NJWLARKEICYWNP-IERINAHZSA-N	415.537	4.731	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1	915843282	OYTXUZSTDAFUTM-ZHZULCJRSA-N	408.461	4.664	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3C)cc2C=NNC(=O)c2ccccn2)cc1	916245420	XPLKEYMCKCLIID-UHFFFAOYSA-N	409.493	4.569	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccc(F)cc1Br	917552659	LIXBCCJPEPTZRF-UHFFFAOYSA-N	405.198	4.751	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(OC(C)C)cc2)c1C	918532300	NSPZHQASPDKXHS-AIRTYWKNSA-N	410.514	4.750	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3csnc3C)CCC2)cc1	1786444616	VOZNRYMEWMWLLH-QGZVFWFLSA-N	405.951	4.607	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncccc4c3)CCC2)cc1	1790486565	DPCNVHHBJIKSGG-FQEVSTJZSA-N	421.928	5.000	50	20	HJGD	
Cc1cc(F)c(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)c1	1790799584	BIXKRYVPQZRIMA-QGZVFWFLSA-N	410.823	4.555	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2F)CC1	1830466321	PLIQRNOSVAYNHA-PZJWPPBQSA-N	422.972	4.775	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(SC(F)(F)F)cc2)cc1	17699895	PEZMRUHMBDNHKM-RVDMUPIBSA-N	419.428	4.546	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C	209783649	AKIBDRXCZYWICS-STZFKDTASA-N	401.514	4.863	50	20	HJGD	
COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)c2ccco2)cc1	212659903	SXJXLXIIYASTAM-ZHZULCJRSA-N	409.445	4.990	50	20	HJGD	
O=C(NCc1ccc(Oc2ccccc2)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	725869651	JDLJTPXYAKEWMU-UHFFFAOYSA-N	419.525	4.526	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	727850400	UQXJKHBBZUORQC-ZWKOTPCHSA-N	413.304	4.640	50	20	HJGD	
Cc1cccc(NNC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)c1	731784836	HYVSJFAUHMHBIZ-UHFFFAOYSA-N	404.301	4.763	50	20	HJGD	
Cc1ccccc1[C@H](NC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C)C(C)C	732677004	QKTBEFNLTCGBSH-LJQANCHMSA-N	422.554	4.768	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC3CC3)cc2)c(C)n1C[C@@H]1CCCO1	733117022	KJJGUOPQEPCQCU-DNQIBQKISA-N	419.525	4.618	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1	733909721	CGHPWUZCNDCMDJ-UHFFFAOYSA-N	400.935	4.603	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c(OCC(=O)O)c1	734482942	GZJUJHVFGQQOIF-RQZCQDPDSA-N	406.463	4.655	50	20	HJGD	
O=C(NN=Cc1c[nH]c2ncccc12)c1cc(-c2ccc(F)cc2)nc2ccccc12	741760590	PCDYDUZJTQQWQR-UHFFFAOYSA-N	409.424	4.681	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)Nc1ccc(Br)cc1Cl	743807747	RAXMHQYXMLWVKF-UHFFFAOYSA-N	406.614	4.853	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3ncc(CC)o3)c2C)cc1	744455730	JZQOASFDZLZLLI-XDHOZWIPSA-N	419.481	4.694	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(CN3CCCCCC3)cc2)cc1	745975804	MCHHMHGRGAWTSD-JJIBRWJFSA-N	417.553	4.685	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3C)c2C)cc1	748081393	WVIKGWZXEPWXPW-CPNJWEJPSA-N	401.466	4.662	50	20	HJGD	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NNc2ccc(OC(F)F)cc2)c1	748643672	JLFPHHCLQPRNHQ-UHFFFAOYSA-N	410.420	4.893	50	20	HJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC	749452551	OZBHKBDLZSSMNG-BGARDKSCSA-N	405.903	4.864	50	20	HJGD	
Cc1ccc(C)c(-n2ncc(C(=O)NNc3cc(C(F)(F)F)ccc3F)c2C)c1	754153604	LEHDYUAUESLIMR-UHFFFAOYSA-N	406.383	4.712	50	20	HJGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	760210079	HPGKIPLDOADBCH-MHWRWJLKSA-N	404.278	4.517	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1csc(Cl)c1Cl	761748820	HBUZITWZSAYGMX-UHFFFAOYSA-N	402.353	4.907	50	20	HJGD	
CC(C)c1nc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c2ccccn12	762602432	GGDORPNWUAZJFS-SDNWHVSQSA-N	409.287	4.766	50	20	HJGD	
O=C(NCc1ccc2c(c1)CCO2)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762648723	OWKUGEQAXCPQMC-UHFFFAOYSA-N	422.375	4.534	50	20	HJGD	
CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772943666	NWLCZMUABSTZTE-UHFFFAOYSA-N	419.375	4.813	50	20	HJGD	
COc1ccc2c(c1)CCN2C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773753983	GEYHJLBQDJBPRQ-UHFFFAOYSA-N	422.375	4.880	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)c2ccco2)cc1	775472618	ARPVDSZPZBCHPL-UHFFFAOYSA-N	404.348	4.699	50	20	HJGD	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1	775535516	AEUYOAZDEYVGEX-AWEZNQCLSA-N	420.435	4.869	50	20	HJGD	
CC[C@H](C)C[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)O	776614777	IYGLLIQINFWOKS-CABZTGNLSA-N	411.414	4.512	50	20	HJGD	
CCN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	779390660	AVBUADANRHAIKA-WDEREUQCSA-N	424.794	4.683	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1	787143799	CJABZAFSXKSQAT-IUYQLWOBSA-N	414.259	4.532	50	20	HJGD	
COc1cc(NNC(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)ccc1Cl	788866994	NVKBEIBSJQWRML-ZDUSSCGKSA-N	407.898	4.532	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(OC(F)F)cc1)c1ccc(OC(F)(F)F)cc1	789818514	IZSOCOSADMGJON-UHFFFAOYSA-N	404.335	4.608	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c(-c2ccccc2C)noc1C	793711152	WLMUYZYQMRRYCQ-UHFFFAOYSA-N	400.276	4.786	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)Nc1nc(-c2ccncc2)cs1	797140168	UAKPZSKAASVCBP-ZROIWOOFSA-N	416.384	4.649	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802015235	GBZICBCZZVBMRY-UHFFFAOYSA-N	423.231	4.562	50	20	HJGD	
O=C(NNC(=O)c1cncc(-c2ccc(Cl)cc2)c1)Nc1ccc(Cl)cc1	802017398	KNBYBVFRIZUTSP-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
Cc1c(Cl)cccc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804206430	FRKUQCNNTRUGHH-UHFFFAOYSA-N	406.795	4.881	50	20	HJGD	
Cc1ccnc2ccc(C(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)cc12	804211533	UARZBXZZGLZMNH-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	810119803	FEMFRDIABLTAOQ-LBPRGKRZSA-N	410.474	4.743	50	20	HJGD	
COc1ccc(C(=O)NNc2c(C)cccc2C(C)C)c(OCCOC(C)C)c1	812767317	WWSJGMMIWIPWFB-UHFFFAOYSA-N	400.519	4.688	50	20	HJGD	
Cc1cccc2c1[C@H](OC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]3CCCO3)c1C)CCO2	814031869	AMVCXXFCLUDDDH-GQNNBKIPSA-N	420.509	4.566	50	20	HJGD	
COc1cc(C(=O)NN=C2CC[C@H](c3ccccc3)C[C@H]2OC)ccc1OC(C)C	814756041	JUHGLFGPKGPJJA-PGRDOPGGSA-N	410.514	4.551	50	20	HJGD	
CC(C)[C@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCCO1	815111777	YSTQKENNLDFZHO-CQSZACIVSA-N	409.442	4.780	50	20	HJGD	
CC(C)[C@H](c1ccccc1)S(=O)(=O)NC(=O)CCCC[C@@H]1CCSS1	816108909	QOJGOOZRDZIAOD-SJLPKXTDSA-N	401.619	4.544	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-]	817014773	XYHDWNKEQZHCDE-UHFFFAOYSA-N	407.270	4.698	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)c1C	855634656	NMKKIDRGNHZIHP-IAFWPLRWSA-N	407.514	4.609	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)c2ccccn2)c(C)n1CC(C)C	901004131	CIEQIEPXFAYEPJ-LWUPDDLQSA-N	412.537	4.969	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cncc(Br)c2)c1C	915167987	SCBRHIVDKBHLHZ-GIJQJNRQSA-N	416.319	4.713	50	20	HJGD	
O=C(Nc1cccc(N2CCCC2=O)c1)NN(Cc1ccccc1)c1ccccc1	915335733	MBRGVNQYTAYAHA-UHFFFAOYSA-N	400.482	4.557	50	20	HJGD	
Cc1ccc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)o1	916581906	ZJNGCGMRUWLGFO-UHFFFAOYSA-N	409.445	4.666	50	20	HJGD	
CC(C)CC[C@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)c1ccc(Cl)cc1	918231103	VXPHPWWKEQKTSI-FQEVSTJZSA-N	416.953	4.528	50	20	HJGD	
Cc1cc(C)c(NNC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c(C)c1	919795516	JQMXMBZBLPNJSC-UHFFFAOYSA-N	401.938	4.640	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1nc(-c2ccccc2)oc1C1CC1	1319483350	UGNLXULMKVNNHK-UHFFFAOYSA-N	416.250	4.878	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccnn3C(C)C)cc2)CCC1	1789796931	AVCVOMGQFLBUSS-GOSISDBHSA-N	416.953	4.619	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccc(O)cc3)cc2)CCC1	1790508592	LOHLINPGHBWTHE-MGPUTAFESA-N	414.933	4.647	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3)CCC2)cc1	1791362050	JJBJDGFIXJZWBU-SFHVURJKSA-N	415.331	4.608	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc4ccoc4c3)CC2)C1	1806164982	QUBQOHJTGNVHQC-IBGZPJMESA-N	416.949	4.685	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1	1815314611	NFTRYTNPWXSOIH-GXTWGEPZSA-N	422.879	4.542	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(C)s2)n[nH]1	1822736394	YXWPOOMYKDWEFN-ZMMKQQPBSA-N	420.966	4.503	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1	1824870371	BUZVYXZRCBRFFD-IRXDYDNUSA-N	424.935	4.746	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2Cl)CC1	1829446511	MIOPDXRYUFMVQQ-GOEBONIOSA-N	417.402	4.652	50	20	HJGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)oc1C	17700528	ZPLYINAYXHBWNZ-OVCLIPMQSA-N	421.478	4.661	50	20	HJGD	
CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	302930919	FLCFYOAQAVKGJA-ABAIWWIYSA-N	424.872	4.713	50	20	HJGD	
C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	727099100	XCZRAVUOVSKPFB-QMMMGPOBSA-N	422.095	4.529	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=c3cc[nH]c4ccccc34)c3ccccc3n2)cc1	730288973	LLRVGHPQBLIDEM-UHFFFAOYSA-N	420.472	4.637	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1	730488434	KQMYGGYGWTZQJQ-HXUWFJFHSA-N	415.348	4.607	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C)c1ccccc1	731999981	BPWSOGRJNFKQRF-LJQANCHMSA-N	424.932	4.604	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1cc(-c2ccccc2)nc2cc(F)ccc12	733812213	VOKZBWAFAUKHIW-UHFFFAOYSA-N	409.424	4.741	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3cc(F)c(F)cc3F)cc12	734553652	WGUKPBKTVLONDA-UHFFFAOYSA-N	402.401	4.570	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc(Cl)nc2ccccc12	741981330	BQGXSSCKTIXLFT-UHFFFAOYSA-N	412.621	4.686	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c(Cl)c1	743593615	UWCVWMWAPKDTDJ-GOSISDBHSA-N	404.873	4.665	50	20	HJGD	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1ccc(Cl)nc1	743816650	KKHPVBPKHKLCFV-NSHDSACASA-N	423.325	4.808	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@@H](C)C#N)c(C)n1-c1cccc(C(F)(F)F)c1	743876750	DSZXGHWDYAUTDW-WXARJGPPSA-N	414.431	4.638	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCN(C[C@H]2CCCO2)CC1	752977777	QMAFUGYATHVGQA-CQSZACIVSA-N	415.428	4.673	50	20	HJGD	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NNC(=O)CC1CC1	756767994	HRGQTZMENDMDDF-UHFFFAOYSA-N	423.492	4.685	50	20	HJGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	757797805	PXNIRUABTXMBHX-RIEGTJTDSA-N	407.889	4.510	50	20	HJGD	
O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NNc1cc(Cl)ccc1Cl	762544930	GOYDDFIYMYMHOZ-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccccc2NCCc2ccc(Cl)cc2)o1	764049768	NQZSYWGEANIILU-UHFFFAOYSA-N	423.904	4.735	50	20	HJGD	
O=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc2nc(O)[nH]c2c1	766549623	XGYRRRAHVQJJLQ-UHFFFAOYSA-N	415.365	4.727	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1coc(C2CCC2)n1	766761746	NXYZIEVPEZIGTH-UHFFFAOYSA-N	405.079	4.768	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(Br)cc1Br	768414948	BXKVNSVMLGJWPY-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNc3ccccc3C(F)(F)F)cn2)cc1	769959982	WGRLHJSXTNVQKI-UHFFFAOYSA-N	413.359	4.913	50	20	HJGD	
CCCN(C(=O)c1cccs1)C1CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CC1	770252202	NQQUUURJCGCIJB-UKWGHVSLSA-N	424.526	4.538	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc(C[S@@](=O)c2ccccc2)c1	771154774	UQWIZLPLAMAFAH-MUUNZHRXSA-N	417.893	4.936	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C)c1ccc(C#N)c(Cl)c1	774149736	OGZPMVFVPIQLSI-UWSDUSPXSA-N	424.932	4.798	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)cc(Br)c1O	775639099	LHHCLCGWNLXKJQ-IZZDOVSWSA-N	424.197	4.555	50	20	HJGD	
O=C(NCc1nc(-c2cc3ccccc3o2)cs1)NNc1cc(F)c(F)c(F)c1	776188830	OLCBNBDXEJFCLA-UHFFFAOYSA-N	418.400	4.800	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)C(=O)c1ccccc1OC(F)F	776193234	PXCRHQXFYUGJCG-WQLSENKSSA-N	410.298	4.579	50	20	HJGD	
Cc1ncc(CN(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)s1	777897411	PJJOBCJFTSXCPM-UHFFFAOYSA-N	408.439	4.930	50	20	HJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NN(C)c2ccccc2)cc1	783431609	IAIIJPJKYYREJA-QGZVFWFLSA-N	405.523	4.646	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl	784880818	FJQINIKFRYXZPN-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	787209450	BXZGCPUDYRQBJT-HAKLDRHFSA-N	416.452	4.547	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(F)cc3OC)c3ccccc3n2)cc1	788184440	LQLQKAKFWFWHJI-UHFFFAOYSA-N	417.440	4.815	50	20	HJGD	
O=Cc1ccc(OCc2occc2C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791733430	KEXWRQQBTVCVHQ-UHFFFAOYSA-N	405.237	4.735	50	20	HJGD	
CC(=NNC(=O)Cc1nc(O)c2c(C)c(C)sc2n1)[C@@H](C)c1ccc(Cl)cc1	794477090	YULGPXVQXIFNFZ-SNVBAGLBSA-N	416.934	4.505	50	20	HJGD	
O=C(NN=C1CCC12CCOCC2)c1ccc(CSc2nc3ccccc3[nH]2)cc1	799866716	QCTKTVYSASWMBL-UHFFFAOYSA-N	420.538	4.532	50	20	HJGD	
N#Cc1ccc(Cc2cnc(NC(=O)NNc3ccccc3)s2)c(C(F)(F)F)c1	806791105	YNZNXMPFRSQHLB-UHFFFAOYSA-N	417.416	4.773	50	20	HJGD	
C[C@H](Oc1ccccc1NC(=O)NNc1ccc(C(F)(F)F)cn1)C(F)(F)F	808867153	HDYSVGSIAPGTIZ-VIFPVBQESA-N	408.302	4.579	50	20	HJGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1sc2nc(C)nc(C)c2c1C	863951767	SCSBRWDZEVQPDC-UHFFFAOYSA-N	404.495	4.629	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccn2)c(C)n1-c1cccc2ccccc12	911596105	ISUIFNDVAOSUAV-PXLXIMEGSA-N	406.489	4.866	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)Cc2cc(Br)ccc2F)cc1	914489795	ZDFBAOBZFHQCCK-XNTDXEJSSA-N	417.278	4.552	50	20	HJGD	
CCN1CCC[C@@H]1Cn1c(C)cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c1C	914694063	WXUNFLKWULHGPA-GOSISDBHSA-N	421.372	4.660	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1	918089736	UWDLYUDCPGKPGI-INIZCTEOSA-N	407.445	4.632	50	20	HJGD	
CN(C(=O)CCCC[C@@H]1CCSS1)C1CCN(C(=O)OC(C)(C)C)CC1	918124121	SLZZUUXSSRSAJT-MRXNPFEDSA-N	402.626	4.558	50	20	HJGD	
O=C(NNC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1)c1ccc2ccccc2c1	918780127	RKWPMUDXTIVJLA-NRFANRHFSA-N	412.493	4.555	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F	919919835	DAGANGGBFRMOHT-SECBINFHSA-N	420.218	4.717	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccc(Cl)s1	1788580760	ZOJCOBBITGNNKI-AWEZNQCLSA-N	401.290	4.684	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3[nH]cc4c3CCC4)cc2)CCC1	1790001232	KAYJJBPOPZNUBI-UHFFFAOYSA-N	413.949	4.516	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)c2ccccc2F)cc1OC	11295215	GVORUHNVBJWLMQ-NTEUORMPSA-N	416.246	4.951	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(c2nc(-c3ccccn3)no2)CC1	726563753	GOIPQQMFENOVQS-INIZCTEOSA-N	418.588	4.552	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1C	727717965	FPTONCQWWYODKI-RQRMZWKBSA-N	409.534	4.586	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)c1c(Cl)cccc1Cl	727779278	VFRKUYWBFDZKLU-UHFFFAOYSA-N	421.715	4.964	50	20	HJGD	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727791961	AETXHMYLOKWXKQ-GFCCVEGCSA-N	409.313	4.519	50	20	HJGD	
CC1(C)CN(C2(CNC(=O)CCCC[C@@H]3CCSS3)CCCCC2)CCO1	731199597	UCYPREAGDGXFIX-GOSISDBHSA-N	414.681	4.630	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	734247973	HYFWVLZDUKDISP-LJQANCHMSA-N	415.474	4.507	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)c3nc4c(C)ccnc4[nH]3)c2)cc1	741473867	SXJWQAXWLSRRIT-PDGQHHTCSA-N	409.449	4.591	50	20	HJGD	
C[C@](O)(CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccco1	743084231	JUMDJTSZDFCWJL-ZFWWWQNUSA-N	408.829	4.528	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c(C)c1	743761842	CVYYVSAQULMICL-JOCHJYFZSA-N	400.478	4.823	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)Nc2ncc(-c3ccccc3)s2)c(Cl)c1	743810117	BGVJRGPDCQZUPC-UHFFFAOYSA-N	401.879	4.630	50	20	HJGD	
CC(=O)Nc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	746792181	NWFCGRDBAJSUOQ-NVMNQCDNSA-N	412.921	4.918	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1	748046367	OBEXHTSAHSOVOU-UHFFFAOYSA-N	413.868	4.821	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c(C)nn(-c2ccccc2)c1Cl	748731196	HOYQHTGJOMWHOE-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cc2ccccc2o1	749574654	JRXZJTOHQDUWEG-SFHVURJKSA-N	419.506	4.731	50	20	HJGD	
CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(C#N)c(Cl)c2)c1	753315620	JLDLAWYMCKBQGZ-UHFFFAOYSA-N	420.300	4.542	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC(C2OCCO2)CC1	762973366	VGMBUPHKTIHXRZ-UHFFFAOYSA-N	402.385	4.961	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1c(F)cc(Br)cc1F	768008210	XQOYJRLBDDPNHT-UHFFFAOYSA-N	414.008	4.930	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccccc1OCc1cscn1	768013755	UTZVAENKRVRIJI-UHFFFAOYSA-N	412.273	4.925	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccccc1OCC(F)(F)F	769945447	JGBZGDFKIBDOPI-UHFFFAOYSA-N	409.286	4.675	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	770197585	QIVHDEDQEMUGIB-UHFFFAOYSA-N	416.737	4.580	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)c3ccc([N+](=O)[O-])c(OC)c3)cs2)cc1	774561625	PTEYWHWFZFHZPA-OQLLNIDSSA-N	423.450	4.712	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1cccc(C(=O)N2CCCCC2)c1	775533633	VATFAFFYGJMCTN-UHFFFAOYSA-N	407.301	4.768	50	20	HJGD	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)NNc2c(F)cccc2F)cc1	775652898	LNMYAVNTODYIRG-GFCCVEGCSA-N	406.433	4.699	50	20	HJGD	
CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776658473	YPXLKOWYZPGEIE-UHFFFAOYSA-N	417.377	4.867	50	20	HJGD	
CC(C)(C)CN(CCCO)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777961434	IOSZFZDLYSZOTN-UHFFFAOYSA-N	411.458	4.763	50	20	HJGD	
O=S(=O)(NCC1(CCO)CCCCC1)c1cccc(S(F)(F)(F)(F)F)c1	778051588	CWQJXBUNSBRFBX-UHFFFAOYSA-N	423.469	4.955	50	20	HJGD	
CN(C[C@@H]1CCCC[C@H]1O)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778058831	NYZJTDBCKWFJKO-SMDDNHRTSA-N	409.442	4.516	50	20	HJGD	
C[C@](Cc1nc2ccccc2s1)(C(=O)NNc1cc(Cl)ccn1)c1ccccc1	778448599	AXILVKRROZBXCH-JOCHJYFZSA-N	422.941	4.988	50	20	HJGD	
COC(=O)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1	789149101	VKWUEGOMKLKNLM-NVNXTCNLSA-N	401.216	4.517	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2occc2CSc2ccccc2)c2ccccc2n1	789888219	AVHHWKLQXLNIKC-UHFFFAOYSA-N	417.490	4.503	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(C2CCC2)cc1	792333624	OQWWBOODQVGVTE-UHFFFAOYSA-N	413.403	4.582	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)Nc1nc(-c2ccncc2)cs1	797140165	UAKPZSKAASVCBP-NTEUORMPSA-N	416.384	4.649	50	20	HJGD	
CSc1ccccc1[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	800082593	QCPVADOGVOLHEF-MRKXZHHHSA-N	423.582	4.790	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c3cc(C)on3)c2C)cc1	810794865	FDLHLMXNBAUXBY-DAQNXSASSA-N	405.454	4.611	50	20	HJGD	
CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(OCCCCl)cc2)CC1	811463138	LMKQILBCKDKNHG-QHCPKHFHSA-N	406.998	4.697	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O	812767964	YMBUXJPCBLGRGG-KRWDZBQOSA-N	403.935	4.718	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)c1C	813286208	VJWNSVBFXSOYNT-WLGHQHAYSA-N	417.553	4.632	50	20	HJGD	
O=C(NN=Cc1sc(Sc2ccccc2)nc1Cl)c1ccc(Cl)nc1	814809785	NCOSWIDPUKCPSI-UHFFFAOYSA-N	409.323	4.760	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(C(C)C)nc2C)c1C	815170011	MSXFJNZVUCVJEA-FIJRTHIRSA-N	409.530	4.790	50	20	HJGD	
COC(=O)c1ccc(Br)c(NNC(=O)c2csc3cc(C)ccc23)c1	818750466	LTOUWPYNVUCEPG-UHFFFAOYSA-N	419.300	4.516	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c1C	913134686	NYQARMHFKDIJPE-SJJOQSKNSA-N	418.497	4.821	50	20	HJGD	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1	915843200	AGHBJXFLLLSBOR-RZKQZQCBSA-N	400.434	4.518	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(F)cc1	916293829	JIFACWMWOBYXBQ-UHFFFAOYSA-N	408.502	4.679	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)ccc1OC(=O)C1CC1	917621092	JIJIDKAKDZBDEU-NVNXTCNLSA-N	420.852	4.935	50	20	HJGD	
CCC(CC)[C@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1	918135142	LKWFXVHJENDGHF-NAVXVDNBSA-N	403.592	4.772	50	20	HJGD	
N#C/C(=C/c1csc(COc2ccc(Cl)cc2)n1)C(=O)NCCc1ccccc1	918712737	FBMUUPICQFHCOW-ATVHPVEESA-N	423.925	4.641	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCC(C)(C)c2ccccc2)c(C)n1C[C@@H]1CCCO1	919934797	GJJMAHRJWUXANP-KZVLXBEFSA-N	419.569	4.675	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(F)cc2F)c1C	920003227	XKUWIUXSQFBDEF-YVLHZVERSA-N	400.425	4.516	50	20	HJGD	
Cc1c(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cccc1C(N)=O	1116531108	AABMBRFPRWWHTI-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)c2nnc(-c3ccc(OC(C)C)c(OC)c3)o2)cc1	1326498615	OTATTWSCVKFFIX-LDADJPATSA-N	405.454	4.995	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c(F)c3)CCC2)cc1	1786447576	ZWLUPRRHQKTOKS-QGZVFWFLSA-N	418.896	4.687	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CCC1	1786912777	JHYHTKSMGXIXBN-CVTTXWKISA-N	400.906	4.834	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1	1790468834	PONLJLMCETZVEZ-MAUKXSAKSA-N	419.363	4.650	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1	1814697204	SASOHSWQZLHERG-INIZCTEOSA-N	408.974	4.659	50	20	HJGD	
Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)oc2ccccc12	1828125722	WKVFVXACROLBSI-FXAWDEMLSA-N	420.912	4.509	50	20	HJGD	
CC(C)(F)C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1842849696	RVICXNCDXLFMMV-UHFFFAOYSA-N	402.982	4.688	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccncc2)c1	213627544	TZTMVYCUQRXHAM-ZHZULCJRSA-N	406.445	4.733	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2nc(-c3ccccc3)no2)c(C)c1	728081540	JTPRRRKSQSAIDH-UHFFFAOYSA-N	417.494	4.657	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)c(Cl)c1OC	730436340	IDCJNJHVLXOXMX-YFHOEESVSA-N	412.692	4.971	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1	730595805	FTHXNSCUXCSGCB-GJZGRUSLSA-N	408.354	4.732	50	20	HJGD	
Cc1cccc(NNC(=O)CC2(CC(=O)NNc3cccc(C)c3)CCCCC2)c1	731784525	YSTXJHQUAJYSDJ-UHFFFAOYSA-N	408.546	4.621	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cs1	732715957	DZRWNIQHCXEEHS-AQTBWJFISA-N	422.554	4.834	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3nccc4sccc34)c3c(C)noc3n2)c(C)o1	734248253	NNBZGXRNTHMEMJ-UHFFFAOYSA-N	419.466	4.775	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	734553164	IAHJDHXWSXERAH-UHFFFAOYSA-N	403.316	4.561	50	20	HJGD	
N#Cc1ccc(-c2cccc(CNC(=O)NNc3ccc(OC(F)F)cc3)c2)s1	740483660	URRYBJAOYIMRMH-UHFFFAOYSA-N	414.437	4.714	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1C#N	741848529	OEJMIWBHGZOAQS-VCHYOVAHSA-N	414.490	4.853	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC2(CCOCC2)C1	743086941	FWTMJAHUCLMOSQ-AWEZNQCLSA-N	408.873	4.940	50	20	HJGD	
Cc1ccc2c(CCC(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)s3)c[nH]c2c1	744457926	DMXNSKACJOGBTG-UHFFFAOYSA-N	421.497	4.738	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(Br)cc(Cl)c1O	745989045	HQCCIWLOKQYXMB-UHFFFAOYSA-N	409.589	4.584	50	20	HJGD	
Cc1cccnc1CC(=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)C(F)(F)F	746370589	MKIMLJIXFUCQIV-HNNXBMFYSA-N	415.415	4.588	50	20	HJGD	
N#Cc1ccccc1COc1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	747605074	PVWNQUAWVKSZQJ-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
N#CCc1ccc(Oc2ccc(C(=O)NNc3ccc(OC(F)F)cc3)cc2)cc1	748655751	BHPIMZKLSUUOEF-UHFFFAOYSA-N	409.392	4.903	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3cscn3)c2C)cc1	749275429	BVZGSFLKPVCECB-VCHYOVAHSA-N	407.495	4.600	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC#N)c(C)n1-c1cccc(Cl)c1Cl	751392390	IFYWGPSQLRVXOS-HMHNVIDESA-N	401.297	4.726	50	20	HJGD	
CCCc1c(C(=O)NNC(=S)Nc2ccccc2C(C)C)cnn1C1CCCC1	753433509	GAPRFBVAEXYFSK-UHFFFAOYSA-N	413.591	4.706	50	20	HJGD	
O=C(NN=C1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(Br)s1	753691310	ULSJQCGRPZAWEZ-NSHDSACASA-N	422.304	4.547	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(OCc2ccccc2)ccn1	754142785	JZBSQIOMBKUGIR-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc2sccc2c1	761567758	AGCZODTTZRWEDD-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
CCCCOc1ccccc1C=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	767360343	LKWXRRJPZWNXMB-UHFFFAOYSA-N	415.708	4.567	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccccc2C(C)(C)C#N)c1C	767975852	JNEUHCJJFKUAFR-YPKZHZFPSA-N	419.525	4.764	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(Cl)cc(Br)c1F	768215275	BXLOYTLJKOTTLY-UHFFFAOYSA-N	413.461	4.700	50	20	HJGD	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NNc1cccc([N+](=O)[O-])c1	770012529	AJSSHHXNBHQHDL-UHFFFAOYSA-N	417.425	4.503	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1cccc(CSC2CCOCC2)c1	770032402	MJDGLEGWJDQAFK-UHFFFAOYSA-N	411.449	4.665	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1ccc2nc(C3CC3)oc2c1	770056573	HBLMYYFQFZYQFL-UHFFFAOYSA-N	405.227	4.755	50	20	HJGD	
COc1c(Br)cccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	773905712	CCINADBSUNLBEB-UKTHLTGXSA-N	405.679	4.965	50	20	HJGD	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(Br)cc1	775545023	PKNBYQPLVAFERS-UHFFFAOYSA-N	410.293	4.615	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1	778139593	FOCLIOLWPXHAMQ-UHFFFAOYSA-N	405.285	4.832	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@H]1CC2(CCC2)Oc2ccccc21	779631753	KUOSGVDAJNRSEM-HNNXBMFYSA-N	407.392	4.658	50	20	HJGD	
O=C1C[C@@H](C(=O)NNc2c(Cl)cc(Br)cc2Cl)c2ccccc21	789652707	ISNJTGQMUFWOLI-LLVKDONJSA-N	414.086	4.569	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2cccc(C#N)c2)c(OCc2ccccc2)c1	790807436	YZBALTZNTPLLEA-UHFFFAOYSA-N	401.466	4.683	50	20	HJGD	
O=C(CC1CCCC1)NC1CCC(C(=O)NNc2cc(Cl)cc(Cl)c2)CC1	791714752	ZCXMXTBPEQVXJA-UHFFFAOYSA-N	412.361	4.692	50	20	HJGD	
CCCCc1ccc([C@H](NC(=O)NNC(=O)c2cccc(C)n2)c2cccs2)cc1	792793598	WVIFKLFGLAHWBG-NRFANRHFSA-N	422.554	4.528	50	20	HJGD	
CO[C@@H](C)c1nsc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	800990961	AEJNCZDQOSIKQY-ZCQLHAAUSA-N	413.547	4.715	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CSc2nnc(C(F)(F)F)n2N)cc1	806584013	SKMGIFXTMOEBPF-UHFFFAOYSA-N	418.561	4.825	50	20	HJGD	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)CC(Cl)Cl	808247570	GKIMLADGPYDNRR-UHFFFAOYSA-N	423.724	4.977	50	20	HJGD	
COCCCCc1cccnc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	813319875	HWKLZDHGTROEOH-HYARGMPZSA-N	408.546	4.671	50	20	HJGD	
O=C(NN=C1CC(c2ccc(Br)cc2)C1)c1cc(-c2ccccc2)[nH]n1	814707248	UDCLDTONOMDRDB-UHFFFAOYSA-N	409.287	4.503	50	20	HJGD	
CCOc1ccc(NNC(=O)c2c(-c3cccc(Br)c3)noc2C)cc1	817889820	MRZSCNSMCXRTJO-UHFFFAOYSA-N	416.275	4.568	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1C	818138407	FVLQZBGBQQHQSO-NFUNWIPISA-N	415.484	4.717	50	20	HJGD	
CCC(C)(C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	852999002	XQRNFKURXGKLGB-OFBHVFLISA-N	413.562	4.754	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c2cccnc12	881466267	QEIVGHQGVUHCFO-MSTPFNHUSA-N	414.509	4.686	50	20	HJGD	
COc1cccc(C(C)=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1	916293947	PCIIHLCSRHJSCZ-UHFFFAOYSA-N	420.538	4.548	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	916352511	QTCAULMFZANWNU-UHFFFAOYSA-N	418.236	4.854	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\C2=Cc3cc(Br)ccc3OC2)c(C)c1	917400172	RQELBLRPBITFKN-MFOYZWKCSA-N	409.283	4.930	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc3ncccc3c2)c(-c2ccccc2)n1	918587623	NBUUEEDPRGGSDG-XSFVSMFZSA-N	418.460	4.558	50	20	HJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	918715378	GWKOMPISZGFROK-ONNFQVAWSA-N	401.098	4.829	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OC[C@@H]2CCOC2)c(C)n1-c1cccc(C(F)(F)F)c1	918946817	YGAVMWDDXBFHJR-TWIVVOHQSA-N	418.415	4.600	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4n3C)CCC2)cc1	1790486754	IGLNDGNIWIJBLI-LJQANCHMSA-N	423.944	4.943	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)CC3CCCC3)CCC2)cc1	1790491501	CKWPTONSFJWYGA-FQEVSTJZSA-N	411.373	4.937	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)[nH]n1	1820859648	FHUVGIZWYCLLJP-WBVHZDCISA-N	423.344	4.695	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	1831476118	JMTSJAQNPQJQNQ-AMGKQAFBSA-N	423.041	4.840	50	20	HJGD	
COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1O	3570708	ZBPGJNOTGWTFAM-NYYWCZLTSA-N	418.685	4.699	50	20	HJGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	7001095	YQNDWRKHKPDAOG-XYOKQWHBSA-N	401.413	4.946	50	20	HJGD	
O=C(NNC(=S)NCCc1cccs1)c1cc2sc3ccccc3c2s1	11521208	SAVVRWVNCAMZSW-UHFFFAOYSA-N	417.606	4.529	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cccc(NC(=O)C2CCCCC2)c1	195551013	VCMJITKMOSCDKJ-UHFFFAOYSA-N	416.319	4.725	50	20	HJGD	
CC(CCC(C)C)=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1	254618891	SNBXWCAVJSAJSW-UHFFFAOYSA-N	415.559	4.646	50	20	HJGD	
O=C(/C=C\c1cccc(OC2CCCC2)c1)NNc1ccc(Cl)cc1[N+](=O)[O-]	727674399	TYBYJPCDFCMQQA-FLIBITNWSA-N	401.850	4.726	50	20	HJGD	
CCCc1nc(C(=O)NNc2cccc(C(F)(F)F)c2)nn1-c1ccccc1Cl	728717049	QBOUQQPVMXDYJP-UHFFFAOYSA-N	423.826	4.649	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)c1ccc(Br)s1	730436661	UVNGCSLRKCYDOC-JXMROGBWSA-N	402.298	4.819	50	20	HJGD	
O=C(NNc1ncccc1Cl)[C@H](Sc1cc(F)ccc1F)c1ccccc1	734246602	JFBDTHNBEOXTBV-QGZVFWFLSA-N	405.857	4.990	50	20	HJGD	
O=C(NNC(=O)C1(Sc2ccccc2)CCCC1)c1ccc(Cl)cc1Cl	735030143	FEJNSIZJZATLKC-UHFFFAOYSA-N	409.338	4.860	50	20	HJGD	
Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2Br)c(C)n1CC(F)(F)F	739310841	HZPCNPJTSAJDHD-UHFFFAOYSA-N	421.169	4.557	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3ccn(CCN(C)C)c3c2)c1C	740691490	UJUYNSIEHMXQCP-PXLXIMEGSA-N	417.557	4.577	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cnn(C)c2)c(C)n1-c1cccc2ccccc12	741586987	UUULGQBQXFQXON-ZFJBLLOBSA-N	423.520	4.765	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)cc1	741717849	GEXFVDQYDHPDGT-JXAWBTAJSA-N	415.449	4.827	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)Nc1ccccc1F	743057782	DGVLUKAJUWYYQO-XBNGYDHASA-N	400.837	4.583	50	20	HJGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(Br)cc1Cl	743433914	GHSYFSGBFBFPLN-UHFFFAOYSA-N	417.690	4.785	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cccc(O[C@@H](C)C(=O)O)c3)n2)cc1	746684737	TZQWMSKXKPXYGC-FBJMNJBLSA-N	406.463	4.735	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(F)cc2Br)cnn1-c1ccccc1	748076596	JUIDMTRCBYYMDL-UHFFFAOYSA-N	417.282	4.654	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3cccc(F)c3)CC2)c1C	752400933	JKENAWXKJDMDNF-XNQWGTPPSA-N	423.532	4.765	50	20	HJGD	
CS(=O)(=O)CCCCCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752981402	SAFJMECXQLJOAO-UHFFFAOYSA-N	410.430	4.680	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3ccc(C#N)c(Cl)c3)c(C(C)(C)C)n2)cc1	753317230	RKRRBCRRROVUAL-UHFFFAOYSA-N	407.905	4.760	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1c[nH]nc1-c1cccc(Cl)c1	755566999	QKEKHQPAIZDHAF-UHFFFAOYSA-N	421.913	4.926	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H](Sc1ccccc1Cl)c1ccccc1	759301461	QHFWSXDXCPHKNH-KRWDZBQOSA-N	414.874	4.620	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c(C)n1C1CCCCC1	759472686	LPLXRWIQDGMXKD-PUDWNGSMSA-N	419.573	4.823	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1	763075525	FKBMTBMXBZLUMF-PDGQHHTCSA-N	421.884	4.926	50	20	HJGD	
O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NNc1ccc(Br)c(F)c1	771682435	SKCRGWGDHZOUDE-UHFFFAOYSA-N	424.657	4.582	50	20	HJGD	
N#C/C(=C/c1cc(F)cc(C(F)(F)F)c1)C(=O)Nc1nc(-c2ccncc2)cs1	772808797	YTGISYRGSPEIFK-ACAGNQJTSA-N	418.375	4.909	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-c2ccc(Br)s2)s1	772866910	ORVYCCWGTKKUPK-UHFFFAOYSA-N	423.361	4.909	50	20	HJGD	
O=C(CCc1nc2cc(Cl)ccc2s1)NNc1ccccc1OC(F)(F)F	779210215	YUDJNWQTSNURJO-UHFFFAOYSA-N	415.824	4.924	50	20	HJGD	
O=S(=O)(N[C@H]1COc2ccccc2C1)c1ccc(S(F)(F)(F)(F)F)cc1	782981766	CJRNOFSNBASPJM-GFCCVEGCSA-N	415.405	4.626	50	20	HJGD	
Cc1ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)c(-c2ccnn2C)c1	802704339	LLRJFOBYRHCYBS-UHFFFAOYSA-N	424.504	4.592	50	20	HJGD	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	806183278	BYBUBDOIUMJOQZ-XJKCOSOUSA-N	421.916	4.996	50	20	HJGD	
CC(C)(CCC#N)CNC(=O)NNc1c(Cl)cc(Br)cc1Cl	807591691	CFZHIVYNGWLFOM-UHFFFAOYSA-N	408.127	4.712	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1	812761912	GQUAURNLMJLFRD-UHFFFAOYSA-N	404.392	4.944	50	20	HJGD	
COc1ccc(Cl)c(NC(=O)NN=C(C)c2sc(-c3cccnc3)nc2C)c1	814991016	OMTKTJBEFALKTC-UHFFFAOYSA-N	415.906	4.721	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3ncco3)c2C)c1C	816797446	GVPPWWJAXKATGS-DDLUMYACSA-N	418.497	4.821	50	20	HJGD	
C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)CCCC[C@H]2CCSS2)C1=O	818638688	GNASIPBORVCMDL-AYOQOUSVSA-N	424.607	4.708	50	20	HJGD	
CC(C)c1ccc([C@H](NC(=O)NNc2cncc(Cl)n2)c2cccs2)cc1	916207093	UUEMMTTUWMOQKZ-SFHVURJKSA-N	401.923	4.731	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)c1ccc2ccccc2n1	916242956	PYVNRCXNAQUXET-UHFFFAOYSA-N	424.291	4.800	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCc2coc(-c3ccccc3)n2)c(C)n1CC(C)C	1251498403	ULWNPOISLXGYQX-XKZIYDEJSA-N	416.525	4.682	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1	1330444802	JKPDBZQERRSRSR-UHFFFAOYSA-N	421.863	4.847	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3Cl)CCC2)cc1	1786009873	USGFHBAPCAOSPB-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1	1789726525	DYDIXBIKVOUMAD-QGZVFWFLSA-N	420.340	4.890	50	20	HJGD	
N#C/C(=C\c1ccccc1OC(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl	7167071	ZKSAVSQUPYGIEP-KPKJPENVSA-N	404.221	4.933	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(F)c2)c1C	7177220	ZFIUEZWFBQZKEE-MIQLPHMESA-N	411.477	4.522	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC	212142734	BPPVRJVFUQSKBD-QCDXTXTGSA-N	407.253	4.565	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNc1ccccc1C(F)(F)F	301218405	ORIVKWAVQJETFB-UHFFFAOYSA-N	422.838	4.977	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCc2coc(-c3ccc(C)cc3)n2)c1C	726538608	ZJBVVBOODHTJOL-HMAPJEAMSA-N	416.525	4.744	50	20	HJGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NNC(=O)CCCc1ccccc1	727741013	BRCVQBXYJNOUMP-UHFFFAOYSA-N	423.582	4.816	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@H](c1ccccc1)C1CCC1	729222836	VHXQQFHOKBHRSF-LJQANCHMSA-N	420.538	4.604	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(Cl)ccc2OC)c1C	729361334	JBFMXZUFMGIVHJ-QJVAEYLJSA-N	416.905	4.625	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)n1	730207990	BSPXCYFRORHGPT-SFHVURJKSA-N	417.296	4.664	50	20	HJGD	
O=C(NNC(=O)C1CCC1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1	732144627	XPYLWPVVBFWXKR-UHFFFAOYSA-N	409.338	4.847	50	20	HJGD	
C[C@H](CC1CCCC1)C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	734013327	QWULROGFHOGOHF-SNVBAGLBSA-N	407.889	4.893	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ncccc2Cl)cc1	734245807	PXIFDKIEZBQSQZ-UHFFFAOYSA-N	417.900	4.712	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3c(cnn3C(C)C)c2)c1C	735293136	QLPRVRXIXCJYJE-MZYRPWKCSA-N	419.529	4.789	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)N2CCn3c2nc2ccccc23)cc1	742350146	RCMADKYVFDXAHX-CAPFRKAQSA-N	420.472	4.666	50	20	HJGD	
Cc1cccnc1[C@@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)C(C)C	743617005	OKULNDWFIQBMRI-NRFANRHFSA-N	417.513	4.790	50	20	HJGD	
Cc1oc(-c2ccccc2)nc1C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743825981	NJIKHMCMIZMXKA-UHFFFAOYSA-N	412.449	4.784	50	20	HJGD	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1cccc(C#N)c1	748048133	FUTNCPWBUMLVCD-ZDUSSCGKSA-N	412.902	4.632	50	20	HJGD	
Cc1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1NC(=O)Nc1ccccc1	748679971	DFURVFNLGLESFK-UHFFFAOYSA-N	419.441	4.613	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3cc(C(F)(F)F)ccc3F)s2)cc1	754152744	WGYSYXUQDSVGDO-UHFFFAOYSA-N	411.380	4.734	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1	760137219	TURFLWNHRABPNQ-UHFFFAOYSA-N	403.461	4.884	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc2ccccc2cc1OC(F)F	761996180	FGUZVBFKICVUHW-UHFFFAOYSA-N	407.214	4.961	50	20	HJGD	
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNc1c(Cl)cccc1Cl	763617054	CWTQAXSWCUTIIR-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2NCc2ccccc2)cc1C(F)(F)F	764486705	OMNRQJKMIWUKEO-UHFFFAOYSA-N	410.399	4.946	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)c1	766553511	CWGSTEPWUJENMK-APWZRJJASA-N	405.608	4.777	50	20	HJGD	
COC(=O)c1ccccc1-c1ccccc1C(=O)NNc1ccc(C(F)(F)F)cc1	768090563	NUPNLDJAMIAISC-UHFFFAOYSA-N	414.383	4.916	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@H](CCO)c1ccco1	769222420	LZYKJBGMCIFCAD-QMTHXVAHSA-N	408.829	4.744	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccc(OCc2ccccc2Cl)cc1	769977403	DGQDENBJHWNHKD-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c(C)n1CCC(C)C	774853975	UHFWVJHXMUXNKS-ODLFYWEKSA-N	419.529	4.674	50	20	HJGD	
COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1	777660923	OPNZYYPNYKSLRO-SNVBAGLBSA-N	421.413	4.549	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCOC[C@H]1c1ccco1	777949726	JBTPFQFXIMUXKH-ZDUSSCGKSA-N	419.393	4.699	50	20	HJGD	
CC[C@H](C)n1nc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1C	778015043	XQJQACNQSNSORU-QMMMGPOBSA-N	420.138	4.989	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1cccc(N2CCCC2)c1	779629845	MMNHPCZRCMNSTK-CQSZACIVSA-N	408.424	4.573	50	20	HJGD	
CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C12CCC2	782979626	IYRFQSYXBCVUKX-ZIAGYGMSSA-N	421.453	4.970	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1Cl	790178080	UFNWSFWDGYUPHI-UHFFFAOYSA-N	412.833	4.757	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cn(C(C)(C)C)nn2)c(C)n1Cc1ccccc1Cl	790215020	MQGIOMZQKJJJKI-WQRHYEAKSA-N	421.932	4.943	50	20	HJGD	
Cc1csc2ncc(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)c(=O)n12	792548660	UUXXYHBUPCAKNB-UHFFFAOYSA-N	411.377	4.974	50	20	HJGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	794780858	QPNYYLWPPBJIHP-UHFFFAOYSA-N	415.405	4.537	50	20	HJGD	
CCOC1CC2(CCN(S(=O)(=O)c3cccc(S(F)(F)(F)(F)F)c3)C2)C1	796152800	SRRVWYIXZMRWMI-UHFFFAOYSA-N	421.453	4.924	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cn(-c2ccc(Cl)c(Cl)c2)cn1	797753077	LSHGTJVNNSMTNB-UHFFFAOYSA-N	417.083	4.638	50	20	HJGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817013753	BISJJTODUXOUQO-UHFFFAOYSA-N	408.346	4.741	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2nc3ccccc3[nH]2)c(C)n1C1CCCCC1	857707528	FDEPGFDWTNPTOW-CPNJWEJPSA-N	401.514	4.710	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1c(-c2ccccc2)nc2ccccn12	915972397	LWLUNSNYUDSERI-UHFFFAOYSA-N	404.473	4.847	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NN=Cc2cn(CCC#N)c3ccccc23)cc1	916285273	CEAUCMUPLQBFPA-UHFFFAOYSA-N	402.498	4.744	50	20	HJGD	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1ccc(OC)cc1	916596647	JGIPCNNCCFVGAM-GJNQCVPDSA-N	406.482	4.686	50	20	HJGD	
O=C(NCC1CCCC1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	916622341	KENLZRGRMDXOGP-UHFFFAOYSA-N	417.962	4.767	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2c(F)cccc2F)c(C)n1C[C@@H]1CCCO1	918952827	LLWRUNGMXIEFOI-WMJHGLBSSA-N	414.452	4.774	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)nn1	1318586648	SHNAHMLKSODCDI-UHFFFAOYSA-N	410.905	4.763	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(CN(C)C)o2)c(C)n1-c1cccc(C(F)(F)F)c1	1326084518	QDANVDLUFYQSAT-CXUHLZMHSA-N	415.419	4.622	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(Oc2ccc(Cl)cn2)cc1	1329100807	GGOCTXCNBWVPPV-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
C[C@@H](CBr)C(=O)NC1(c2ccc(NC(=O)C3(C)CCCC3)cc2)CCC1	1785903419	WPSSEPATZXWYLF-HNNXBMFYSA-N	421.379	4.732	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1	1786009892	VGDFYQRXFSOBTG-AWEZNQCLSA-N	412.908	4.821	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc[nH]c4c3)CCC2)cc1	1786444562	IBPMEBHSIKSAEZ-GOSISDBHSA-N	424.932	4.718	50	20	HJGD	
CCCCCc1cccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](Cl)CC)c1	1800073083	KUTFWPVEHRRVLW-LRSLUSHPSA-N	419.009	4.617	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1	1815321737	GEKIDFSQQFDGDC-BJICUUOASA-N	406.958	4.556	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)ccc2C)[nH]n1	1815323642	AMYOUDXYUXTTCI-IEBWSBKVSA-N	416.953	4.740	50	20	HJGD	
CC1(C)CCC(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](F)Cl)n[nH]2)CC1	1818041582	JHEOMXKNLLPHBO-CRAIPNDOSA-N	412.937	4.543	50	20	HJGD	
O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Cl)[nH]n1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	1818929260	MMXKWBKFBXOECF-DONWEKBKSA-N	424.948	4.543	50	20	HJGD	
O=C([C@@H](F)Cl)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1	1828009636	CRMKRPJVJMIPPD-LEWJYISDSA-N	416.924	4.608	50	20	HJGD	
Cc1sc2nc([C@@H](C)OC(=O)CCCC[C@@H]3CCSS3)[nH]c(=O)c2c1C	5755180	ZNZFRWLTGYITHJ-DGCLKSJQSA-N	412.602	4.920	50	20	HJGD	
CCOCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OC	50234385	ADYZMUCXKMSHHW-GDNBJRDFSA-N	404.388	4.796	50	20	HJGD	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NNC(=O)CCCc1ccccc1	727846300	OVPXJEXLYRLEAO-AWEZNQCLSA-N	408.329	4.750	50	20	HJGD	
COc1cccc(CN(CC(C)C)C(=O)NNC(=O)c2c(Cl)cccc2Cl)c1	727847245	UJEAOKQFEHAJFK-UHFFFAOYSA-N	424.328	4.515	50	20	HJGD	
N#Cc1cccc(COc2cccc(C=NNC(=O)c3cccc(OC(F)F)c3)c2)c1	728435101	VTJYKFPFGFPVHT-UHFFFAOYSA-N	421.403	4.503	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1	730036800	NTJXLTJFUWCMJN-UHFFFAOYSA-N	415.440	4.711	50	20	HJGD	
CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	731480426	GJAPAHBBKZTTMU-WOJBJXKFSA-N	412.665	4.730	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H]2CCCc3nc(C)sc32)c1C	733069469	OXDKYCLMLPQFHH-WDMRJQFMSA-N	413.543	4.605	50	20	HJGD	
CC[C@H](CC1CCCC1)C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	734092249	JCKKJISFIBQNSX-GOSISDBHSA-N	415.559	4.537	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2ccccc2c1	735623476	YSWIWRZFKMQWRL-UHFFFAOYSA-N	421.856	4.726	50	20	HJGD	
N#Cc1ccccc1Sc1ccccc1C(=O)NNC(=O)c1cccc2ccccc12	741581661	CTQRUDQBSYJPBS-UHFFFAOYSA-N	423.497	4.937	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)NC(=O)CC3)c1C	741719344	DBPMKFXUDZDEFC-FYJGNVAPSA-N	424.504	4.833	50	20	HJGD	
CC(=NNC(=O)c1cccc(Br)c1)c1sc2nc(C)nc(C)c2c1C	741768080	TUGZMSAMQDBNHR-UHFFFAOYSA-N	417.332	4.533	50	20	HJGD	
O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	741896172	DICJAXHLXXRVPX-HNNXBMFYSA-N	404.797	4.995	50	20	HJGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2c(-c3ccccc3)nc3ccccn23)c1C	744743843	ZNFOLNQDVFOVNP-LJQANCHMSA-N	412.493	4.536	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1nc(-c2cccc(F)c2)no1	745918002	UIMNUULVESYOFG-VIFPVBQESA-N	410.236	4.570	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccccc2Br)c1	748059409	YPOISVYCGMLEPE-UHFFFAOYSA-N	424.726	4.844	50	20	HJGD	
O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NNc1cccc2cnccc12	748764165	WZHDHQVENKHPEK-UHFFFAOYSA-N	423.542	4.504	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2csc(CCc3ccccc3)n2)c1	753443707	PIYOZBMXMVUUKN-UNOMPAQXSA-N	404.491	4.587	50	20	HJGD	
O=C(CCCc1cc(Cl)sc1Cl)NNc1ccc(Br)nc1	755797120	MGGXQCQMXSLODE-UHFFFAOYSA-N	409.136	4.678	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(\C#N)c2nnc3n2CCCCC3)c1	759645183	VOOYUEUUURFAKM-QGOAFFKASA-N	416.529	4.696	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OCc2cccc(Cl)c2)c(-c2ccccc2)n1	761411568	VNLZEXTZEWMZPZ-UYRXBGFRSA-N	416.868	4.768	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)c1	766557216	ZFYRYISKSDOVAH-NVXWUHKLSA-N	409.571	4.607	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Br)c1	768268960	KGLFQLAPHVNUQB-WQLSENKSSA-N	423.213	4.605	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H](CC(F)(F)F)c1ccc(F)cc1	768732424	SZOUXXCYTHQKNO-GOSISDBHSA-N	419.378	4.617	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1OC	772179018	MQDONGGVNSWSFH-NVNXTCNLSA-N	416.246	4.951	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3nccnc3C(C)C)oc2c1	772843730	HNDODRGRLOSENA-UHFFFAOYSA-N	402.454	4.779	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccccc2C(=O)NNc2ncc(Cl)cc2Cl)c1	775271214	DBAAEEQFBBOCCN-UHFFFAOYSA-N	415.280	4.706	50	20	HJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNc1nc(-c2ccccn2)nc(C)c1C	775603720	BUOFMTIVGJQEIU-UHFFFAOYSA-N	422.558	4.725	50	20	HJGD	
CNC(=O)c1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	777598541	LISFDGGMVXHNNE-UHFFFAOYSA-N	416.393	4.504	50	20	HJGD	
Cc1cc2nc(-c3ccccc3)cc(C(=O)NNc3ncncc3Cl)c2cc1C	781819034	VXKSAFIYNXSZBD-UHFFFAOYSA-N	403.873	4.719	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ncnn2C(C)C)c(C)n1-c1cccc(Cl)c1	791044383	MLRONQWSCKXPEL-NVMNQCDNSA-N	423.904	4.570	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1	791209583	DOSXGZCJPQVLBH-OWFGXHLJSA-N	412.445	4.525	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1	793492722	HBHAZPMOMAWWQQ-YEORSEQZSA-N	412.704	4.537	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(-c2ccccc2)nn1	795167109	WZYWAHDFFGYWDE-UHFFFAOYSA-N	419.872	4.771	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1	798427892	ZMNBRNDENWJWJG-VIFPVBQESA-N	405.203	4.577	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1	799757862	MRHRVMGGNQTBLG-UHFFFAOYSA-N	415.946	4.932	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1	801177537	XDUVZZLVWYUBOY-UHFFFAOYSA-N	407.161	4.552	50	20	HJGD	
COCCNC(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C	821498762	QSVYYFLRPOOGCD-UHFFFAOYSA-N	417.420	4.739	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc(Cl)c1N1CCOCC1	914753052	NSFCPUGABSQKED-AWEZNQCLSA-N	400.997	4.829	50	20	HJGD	
N#C/C(=C\c1ccc2c(c1)CCO2)C(=O)Nc1nc(-c2ccccc2Cl)cs1	917517865	SRVWJEFPNMGEEJ-XNTDXEJSSA-N	407.882	4.944	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNC(=O)c2ccccc2Cl)c(C)n1C1CCCCC1	1115828576	FFYFEMQPDNNRRX-AQTBWJFISA-N	424.932	4.632	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc(C(=O)O)c3)c2)cc1	1251694356	UKWPTTWBSSDPIX-CIAFOILYSA-N	412.445	4.818	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1	1320489505	GRVFGYMALQEULK-UHFFFAOYSA-N	401.445	4.502	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1ccc(C(C)(C)C)nn1	1322543762	XZEHVJJSSHFLPC-UHFFFAOYSA-N	420.300	4.801	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](NC(C)C)C(C)C)CCC2)cc1	1786444253	RIBMVUQYLZVKHT-VQTJNVASSA-N	422.013	4.551	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1	1822957942	IPJWJRCRIGJDQL-YYTGVUGMSA-N	420.985	4.780	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(C)cc2)CC1	1831530768	XUEANBBMVJPXPZ-BVYCBKJFSA-N	419.009	4.736	50	20	HJGD	
N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)C(=O)Nc1ccc(C(=O)O)cc1	13058207	XBZWJSABENIQSN-SDNWHVSQSA-N	415.430	4.800	50	20	HJGD	
Cc1cc(C)c(NC(=S)NNC(=O)CSc2ccc(Cl)cc2)c(Cl)c1	15150814	REPUBPLLQFZYTB-UHFFFAOYSA-N	414.383	4.720	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	35227644	YAILLDURMBEJJU-QPEQYQDCSA-N	404.221	4.933	50	20	HJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	726428392	LKVSDCMCLOOUBF-HZGBGQKMSA-N	400.438	4.970	50	20	HJGD	
CC1(c2ccccc2)CC(=NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1	729635798	NCXANTBXXRAEPA-UHFFFAOYSA-N	421.504	4.772	50	20	HJGD	
CC(C)(C(=O)NNC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccccc1	731221920	JRSDBQJHZAZASE-NRFANRHFSA-N	421.928	4.738	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1ccccc1	731937721	KZYPTBRMTWZFRH-MPMPPSQCSA-N	421.298	4.624	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1cc(-c2ccc(Cl)s2)nc2ccccc12	735688673	JNZWTXVYUBHSPV-UHFFFAOYSA-N	416.293	4.817	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3cnn(C)c3)cs2)c(C)n1CCC(C)C	741607531	IHEQNYRGQLFYIE-NVMNQCDNSA-N	422.558	4.554	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc2ccc(F)cc2s1	741978171	AVWDXBHAZBTKIG-UHFFFAOYSA-N	401.207	4.838	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3C)c2C)cc1	748081396	WVIKGWZXEPWXPW-UYRXBGFRSA-N	401.466	4.662	50	20	HJGD	
N#Cc1ccc(NNC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)cc1	748100822	ABWLTLFJXVTABZ-HXUWFJFHSA-N	422.282	4.584	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cccc(OCc3ccccc3Br)c2)cc1	748115082	WHAULPVBXKHMJO-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1	748674255	RUIRGCNFCVUHHA-SFHVURJKSA-N	415.465	4.794	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1	748706733	FCCOKJKQSOMUJV-UHFFFAOYSA-N	421.810	4.574	50	20	HJGD	
CCSc1ccc(Cl)cc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	752304749	GJSGWXXWGGMIPU-UHFFFAOYSA-N	403.718	4.834	50	20	HJGD	
CC(C)OCCN1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752972066	HQOBPCPDPYJWSU-UHFFFAOYSA-N	417.444	4.919	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)c2ccccc2F)cc1Cl	755948091	VLMMMVWLPWQXEM-SFHVURJKSA-N	422.847	4.601	50	20	HJGD	
O=C(NNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(-c2ncco2)cc1	757800317	BGSSZTCVWFDEQZ-UHFFFAOYSA-N	412.858	4.676	50	20	HJGD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1c(CC)cc(SC#N)cc1CC	759781557	JHTILSJFDDZWGU-UHFFFAOYSA-N	416.568	4.603	50	20	HJGD	
CN(Cc1ccc(O)cc1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762641374	UPJDSETWMHSJJX-UHFFFAOYSA-N	410.364	4.647	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2nc3ccccc3[nH]2)cc1	768496825	SZFCNGKMUXZZTE-UHFFFAOYSA-N	422.492	4.540	50	20	HJGD	
Cc1cc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc(C)c1O	772926464	GGBCBLUJZJHOKR-UHFFFAOYSA-N	424.391	4.921	50	20	HJGD	
COc1cc(/C(C#N)=C\c2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccc1[N+](=O)[O-]	774560524	LHIVHCWLGKIMOD-GDNBJRDFSA-N	414.343	4.872	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(OC(F)F)cc(OC(F)F)c1	775776783	GNIKWPKELXNLSC-UHFFFAOYSA-N	413.154	4.953	50	20	HJGD	
C[C@@](O)(CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccsc1	777979384	XKNLFQAVRPBJBY-CYBMUJFWSA-N	423.450	4.592	50	20	HJGD	
N#Cc1ccccc1Oc1ccccc1C(=O)NNc1cccc(Br)c1	778392235	VJKNAXGACUHNNA-UHFFFAOYSA-N	408.255	4.870	50	20	HJGD	
COc1ccc(C(=O)c2ccccc2C(=O)NNc2cccc(C(F)(F)F)c2)cc1	781349215	YMEGFWBBJMFRAO-UHFFFAOYSA-N	414.383	4.702	50	20	HJGD	
COCc1nc(COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)cs1	781866972	XEFBYCGWHAPRSO-GRSHGNNSSA-N	421.522	4.656	50	20	HJGD	
C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	782009825	QXXWMWCRUAWPAV-FXONDUCNSA-N	424.482	4.878	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c1	783356704	KQAXLTCRQWMQPA-SFHVURJKSA-N	403.482	4.525	50	20	HJGD	
Cc1cc(C)c(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)o1	783461091	LCPJTALLONHPGV-UHFFFAOYSA-N	405.366	4.673	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1	785344135	SIZABFDBWMZCQG-PDGQHHTCSA-N	417.415	4.692	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	787156315	XPXCTSNCDHORGE-LUJRCDHRSA-N	417.421	4.648	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1oc(C(C)C)nc1C#N	797845434	QKUXYBBDELLYGP-UHFFFAOYSA-N	420.256	4.697	50	20	HJGD	
CCn1ncc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1C(F)(F)F	798542996	DCMYISDRLLXGNF-LZYBPNLTSA-N	407.440	4.542	50	20	HJGD	
Cc1nc([C@H](NCc2ccc(OCCCCl)cc2)c2ccc(Cl)cc2)no1	811485944	GMSPMPIYNXCKCW-LJQANCHMSA-N	406.313	4.918	50	20	HJGD	
CCCc1nc(C)c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)o1	815705924	IMBUHKBVGYQAQY-UHFFFAOYSA-N	407.095	4.762	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccc(C#N)cc3)c2C)cc1	914484600	IAELXOQUTOTFCD-NLKUQUHMSA-N	424.504	4.759	50	20	HJGD	
O=C(NN=Cc1ccccc1OCc1ccncc1)c1ccc(Cl)cc1Cl	914694048	WQXSBXUVDQCAMX-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2ccccc2OC(C)C)cc1	915857136	MSJAKZLMMGRNRU-ZHZULCJRSA-N	400.482	4.822	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2-c2noc(C)n2)c1C	915867431	YTUCMOMUDHEXCR-CPNJWEJPSA-N	403.486	4.809	50	20	HJGD	
CC(C)CCn1nc(C(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)c2ccccc2c1=O	916334186	DZVVVDAXRBJEBJ-QZTJIDSGSA-N	408.546	4.519	50	20	HJGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl	916340011	NWDDGZSVPKRGLF-GFCCVEGCSA-N	418.881	4.597	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cn(Cc2ccccc2)c2ccccc12	916340782	NFJMQOJUDSJDSA-UHFFFAOYSA-N	406.489	4.864	50	20	HJGD	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1S[C@H](Cl)C(F)(F)F	918560302	YNOJFYPYVJVOCR-HNNXBMFYSA-N	420.796	4.832	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc([C@@H]3COc4ccccc4O3)o2)c(C)n1CC(C)C	1345498142	XQEKODOUKQOKIM-KYRPUADMSA-N	404.470	4.721	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)CCCn3cccc3)CCC2)cc1	1786013393	GRVBABRNCXENNJ-UHFFFAOYSA-N	415.965	4.667	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)COC3CCCCC3)CCC2)cc1	1786441875	FMQWLTKSLYNDSS-HXUWFJFHSA-N	420.981	4.877	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@@H]3CCCC[C@@H]31)C2	1793680929	PCIFXKSPUYUREO-QQKCOMIHSA-N	409.014	4.639	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1824612288	WSOVPCAOPDIHHQ-FGZHOGPDSA-N	419.009	4.646	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2c1oc1ccccc12	1847869635	SKYHLXTUJLUWTQ-AABGKKOBSA-N	424.928	4.809	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc1	7168217	QDQHEBIRMLJBDA-LDADJPATSA-N	420.900	4.756	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc3ccccc3n2)c1C	7207287	FMOQNAYCYVRUSM-RHLNUJDMSA-N	403.482	4.511	50	20	HJGD	
Cc1c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)oc2ccc(Cl)cc12	16488868	LPGBORIUEARFHY-UHFFFAOYSA-N	424.840	4.641	50	20	HJGD	
CC(C)[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	726618904	OPIRRNVIZRRLOZ-INIZCTEOSA-N	413.827	4.700	50	20	HJGD	
O=S(=O)(Oc1ccccc1Oc1ccccn1)c1ccc(CCCCl)cc1	726974750	MFFJAXSXCLNCNY-UHFFFAOYSA-N	403.887	4.813	50	20	HJGD	
COCCOC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	727060936	AMQWKFRWSAUATQ-MHWRWJLKSA-N	406.265	4.669	50	20	HJGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	728696416	QVPCUMQWBHRVAR-QQFZQELXSA-N	402.479	4.631	50	20	HJGD	
C[C@H](NC(=O)NNc1cccc(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1	728752230	DHBNFZFFUQFYEW-INIZCTEOSA-N	404.445	4.664	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1ccccc1OCc1ccccc1Cl	733810759	WNMITPIDIKNFTI-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1ccccc1-c1ncc(-c2ccccc2F)o1	734246198	BPUWRXAYROXXBP-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(-c3ccc(Cl)s3)on2)ccc1Br	734254195	VIWBQUGAEXRTFZ-UHFFFAOYSA-N	412.696	4.884	50	20	HJGD	
O=C(Cc1ccn(-c2ccc(F)cc2)n1)NNc1c(Cl)cc(Cl)cc1Cl	741880437	KZKQPAOFIJIMHX-UHFFFAOYSA-N	413.667	4.657	50	20	HJGD	
CN(Cc1cccc(Cl)c1Cl)C(=O)NNC(=O)c1cccc2ccccc12	743628381	RAYBHNLLDGFFMA-UHFFFAOYSA-N	402.281	4.633	50	20	HJGD	
O=C(NNC(=O)N[C@H](c1ccccc1)C1CCCC1)Nc1ccc(OC(F)F)cc1	745657941	YYLFRBDOJGGTOC-GOSISDBHSA-N	418.444	4.555	50	20	HJGD	
Cc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c(OC[C@@H]2CCCO2)c1	751271309	MZSVCBYGIYUJNA-SFHVURJKSA-N	423.962	4.525	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cn1)c1ccccc1	761580618	DRUBHORGIVCFQE-AWEZNQCLSA-N	417.387	4.877	50	20	HJGD	
Cc1ccc(Cc2nc(C(=O)NNc3ccc(Br)cc3)cs2)cc1	768299144	HYYKFUGIOHJFMT-UHFFFAOYSA-N	402.317	4.562	50	20	HJGD	
COC(=O)NCc1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	770032037	HWYZWHPFTQXPJN-UHFFFAOYSA-N	417.680	4.651	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2nccnc2C(C)C)c(C)n1C1CCCCC1	772875343	LRCFOEZFAUXILR-UYRXBGFRSA-N	406.534	4.574	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)cc(Br)c1O	774557343	DKVKGTQJROBMMJ-AUWJEWJLSA-N	403.232	4.834	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NNc1ccc(C(F)(F)F)cn1	775244803	FMXGLGSEYPGLCJ-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](CCO)c2ccccc2)c(C)n1C1CCCCC1	776490635	XFAVLZYXVKVCPN-KZVLXBEFSA-N	405.542	4.757	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1	777464649	YTTZBTRRLGXBLS-ZDLGFXPLSA-N	410.399	4.804	50	20	HJGD	
O=C(O)c1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777592248	XVSWOLINXSIKKN-UHFFFAOYSA-N	403.350	4.843	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)O[C@H](c1ccccc1)c1nc(-c2ccccc2)no1	785352032	SHYLTJPUFAZRCC-QEQIRTOISA-N	407.429	4.976	50	20	HJGD	
Cc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1C(=O)N(C)C(C)C	786062210	FBWMKGCGEDXGEF-UHFFFAOYSA-N	408.424	4.643	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(N(C)C(C)C)nc2)c(C)n1CC(F)(F)F	790098437	ARACWBGEHYNWAR-MFOYZWKCSA-N	404.436	4.697	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2OC(F)(F)F)c1C	790522736	IEFRMBIUSQOLQD-AYCSXLNKSA-N	421.419	4.757	50	20	HJGD	
O=S(=O)(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cccc2c1OCO2	800839751	NCPIUYDYDFZNLL-UHFFFAOYSA-N	403.350	4.874	50	20	HJGD	
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	808957345	DRXAXLXGADRJKQ-MEBBXXQBSA-N	422.375	4.921	50	20	HJGD	
CN(C)C1CCN(c2ccc(NCc3ccc(OCCCCl)cc3)cc2)CC1	811487199	UECCGOWOENLNAA-UHFFFAOYSA-N	401.982	4.837	50	20	HJGD	
COc1ccccc1CC(=O)NN=Cc1sc(Sc2ccccc2)nc1Cl	814812763	MGKNVHYKJNQHQD-UHFFFAOYSA-N	417.943	4.649	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@]2(CCCO2)[C@@H]1C1CC1	815104517	MSRYEDFRRILAKD-LSDHHAIUSA-N	419.437	4.676	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cccc(NC(=O)c2cccnc2)c1	914857846	FZRGAXFBCGBPNX-LJQANCHMSA-N	415.584	4.664	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc(Cl)c1O	915862671	KLSKNNNLJOQXQA-ACAGNQJTSA-N	412.795	4.825	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(c3ccc(F)cc3)CCC2)c(C)n1C[C@@H]1CCCO1	920351429	HQPNGEBLSYEXKV-YSSBIZNGSA-N	421.516	4.526	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)c2nnc(Cc3cccc4ccccc34)o2)c1C	1117209593	GBVBRRGAKZQCEQ-HMAPJEAMSA-N	412.493	4.943	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2ccc(OC)cc2)c1C	1317948870	GUMOXNKIGQQLKB-ALDSOSFCSA-N	408.498	4.635	50	20	HJGD	
CCOC(=O)c1sc2[nH]c(/C(Cl)=C/c3cccc(CCl)c3)nc(=O)c2c1C	1321221704	QAZOSZZXPBWIFF-JYRVWZFOSA-N	423.321	4.945	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccc4[nH]3)CCC2)cc1	1786444863	XECBMDWNOZHKMG-KRWDZBQOSA-N	424.932	4.718	50	20	HJGD	
CCC1(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)CCC1	1789648152	SOGONRYOBNRWMJ-UHFFFAOYSA-N	402.611	4.552	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)cccc2Cl)[nH]n1	1820860826	XLTCIVOSUFVDSD-BBRMVZONSA-N	423.344	4.695	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1C	5870261	AFLMNZVRXXKQJH-BOURKTIISA-N	421.541	4.918	50	20	HJGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	29518060	GMPTULMPTYKRDC-SNVBAGLBSA-N	410.688	4.605	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc2c(c1)OCCO2	97990748	HFQBCUMUQMHBSU-PTNGSMBKSA-N	406.825	4.917	50	20	HJGD	
O=S(=O)(Nc1ccc(Oc2ccncc2)cc1)c1ccc(CCCCl)cc1	110172216	QAPVIYDGTNEEJZ-UHFFFAOYSA-N	402.903	4.846	50	20	HJGD	
O=C(NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccnc1	727057784	IDGNIXOFXBLAJG-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
O=C(CC1=CCCCC1)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	730206574	SRVRFGIGBNMAFC-UHFFFAOYSA-N	420.538	4.507	50	20	HJGD	
O=C(Cc1cc2ccccc2o1)NNc1ccc(Br)cc1C(F)(F)F	731477719	NGZAAQHBRZNQTE-UHFFFAOYSA-N	413.193	4.900	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(Nc3cccc(C)c3)CC2)c1C	741238348	ONBCPMYPCKMHQF-CJLVFECKSA-N	404.558	4.833	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)C(=O)Nc1ccccc1C(F)(F)F	743056332	DPDONUQJHCWJKH-RVDMUPIBSA-N	410.355	4.833	50	20	HJGD	
C[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CCCCC1	743925053	YWASZXJOMFLKDH-PIGZYNQJSA-N	422.900	4.929	50	20	HJGD	
CCOc1cccc([C@@H](C)NC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1	745286795	SUBROIZBGLCRCN-OAHLLOKOSA-N	415.559	4.511	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c1C	745773585	ZVNBNAGQKJRCNV-LUMUHCBBSA-N	405.542	4.829	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cccc(OCc3ccccc3F)c2)o1	746493805	GGKDJWBMLIUMON-UHFFFAOYSA-N	423.488	4.603	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc2c(s1)-c1ccccc1OC2	748076558	IWNQWHWCBWBEDI-UHFFFAOYSA-N	419.275	4.966	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	748583764	FYIKNHWUYAMCPM-OVCLIPMQSA-N	421.375	4.764	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)c1C	753774351	IWQQDOPULWFRHG-ZHZULCJRSA-N	415.497	4.951	50	20	HJGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNc1nc(-c2ccccn2)nc(C)c1C	754233812	LASXONJPTGBTMX-YJBOKZPZSA-N	401.514	4.588	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	754469981	KTXAVMRWSZVZQF-UHFFFAOYSA-N	420.394	4.985	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1cnc(C)s1	761252592	IGFJPXCWWJVSGO-UHFFFAOYSA-N	421.551	4.774	50	20	HJGD	
Cn1cnnc1C1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762976400	VWVGLMNTAURRCP-UHFFFAOYSA-N	411.400	4.884	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)C2CCC(F)(F)CC2)c(C)n1CC(C)C	763058581	ZJHMKYXESZMJIG-VXLYETTFSA-N	406.473	4.606	50	20	HJGD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	764140695	UZLDEPKJGKTMFV-YVLHZVERSA-N	419.268	4.727	50	20	HJGD	
CN1CCC[C@@H]2CN(C(=O)Nc3ccccc3S[C@@H](Cl)C(F)(F)F)CC[C@@H]21	765871577	NIMSRZWPYRRXIL-IVMMDQJWSA-N	421.916	4.854	50	20	HJGD	
NC(=O)c1cc(Oc2cccc(OC(=O)CCCC[C@@H]3CCSS3)c2)ccn1	766732681	VCFLJAJSSIANIK-QGZVFWFLSA-N	418.540	4.592	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(O)(c3ccccc3)CC2)c(C)n1CCC(C)C	768584691	ZOFIMSWCOWZUHT-QJOMJCCJSA-N	419.569	4.568	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2C(=O)c2cccs2)cc1C(F)(F)F	769678990	GFYUKNMAXPGFGN-UHFFFAOYSA-N	415.396	4.626	50	20	HJGD	
N#CCCCn1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)c2ccccc21	769845012	CMUMCIQWTBHOHV-UHFFFAOYSA-N	403.873	4.904	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)c1	769973774	IAGYOFCQEZONQW-CYBMUJFWSA-N	407.326	4.993	50	20	HJGD	
Cc1ccc(-c2noc([C@@H](C)OC(=O)[C@@]34CC[C@@H](C[C@@H]3Br)C4)n2)cc1F	769977395	CTWNZHJDRHGBQU-NCPSFGDWSA-N	423.282	4.742	50	20	HJGD	
COc1ccccc1COC1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	770244477	TXOWJVIVSOBXMB-IBGZPJMESA-N	409.617	4.917	50	20	HJGD	
CCCC[C@H](COC)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773292999	PHYCEDNUIUJWRW-GFCCVEGCSA-N	404.401	4.604	50	20	HJGD	
Cc1cc(Br)cc2cc(C(=O)NNc3ncc(Cl)cc3Cl)oc12	775266255	HXICMTDWYROIBL-UHFFFAOYSA-N	415.074	4.962	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)nc1	781519220	RHNBVXSMCCDVJQ-UHFFFAOYSA-N	403.866	4.791	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1	785377899	IBOFVYUYJQAYDA-SIWPHUPXSA-N	400.409	4.656	50	20	HJGD	
Cc1ccc([C@@H](NC(=O)NNc2ccccc2C(F)(F)F)c2ccccn2)cc1	792289189	NMHUKHBIRMLGDF-LJQANCHMSA-N	400.404	4.825	50	20	HJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3cc(Cl)ccn3)s2)cc1	792304072	URQAAWSRLRZQJR-UHFFFAOYSA-N	402.907	4.577	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1	792633733	OSWQMPOVXZBNMN-PXLXIMEGSA-N	421.522	4.627	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCc3ccc(F)cc32)c(C)n1C[C@@H]1CCCO1	794058868	IUNCSCZJIUDASH-KWJXYXLKSA-N	421.516	4.524	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c(Cl)c1	797110170	WUSWFQWJTLRCAZ-BOPFTXTBSA-N	406.873	4.697	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1C	797567569	JYWGLTXVTZLLMY-YCHCUCNZSA-N	424.570	4.850	50	20	HJGD	
CO[C@H](C)c1nsc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)n1	800990310	QEYIWIYZTZHOFB-YCPFAOKUSA-N	421.526	4.507	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ncc(-c3ccccc3F)s2)c1C	801733149	MLGAWJFINKIELC-BOPFTXTBSA-N	424.501	4.560	50	20	HJGD	
N#Cc1cc(Oc2ccc(NC(=O)NNc3ccccc3C(F)(F)F)cc2)ccn1	810283849	DZYAQOBZFDSJHU-UHFFFAOYSA-N	413.359	4.913	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)c3nccc4ccccc34)s2)cc1	811636900	NQWMKGRFQNENLA-UHFFFAOYSA-N	416.506	4.708	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)N[C@H]1CCO[C@H](c2ccccc2)C1	812198071	VOJFXPGCXXQPRM-YOEHRIQHSA-N	424.726	4.649	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2ccccn2)no1	817015070	KIGWUXNQHNAMKC-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NNc1ccc(OC(F)F)cc1	857473908	KBWHYRXUYRLHKU-LLVKDONJSA-N	404.335	4.509	50	20	HJGD	
CC(C)COc1ccc(C(C)(C)C(=O)NNc2ncnc(Cl)c2C(C)C)cc1	857545232	AOWPGQHZNLITPS-UHFFFAOYSA-N	404.942	4.709	50	20	HJGD	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1nc2ccccc2nc1Cl	915852011	IDLYXKJSFZPDCE-QINSGFPZSA-N	414.852	4.991	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3cccnc3)s2)cc1Cl	916539673	COJCFIMMDDQYGW-UHFFFAOYSA-N	406.298	4.661	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2)cc(Br)c1OC(F)F	917143761	SHOACYHOXVTMAU-QPEQYQDCSA-N	408.198	4.849	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCCOC)c(F)c2)c1C	919873564	XXVPKUSFAUDLCX-CPNJWEJPSA-N	413.493	4.615	50	20	HJGD	
CC(C)c1ccc(NC(=S)NNC(=O)NCc2cccc(C(F)(F)F)c2)cc1	921271997	JXGAPEVTPKQIKN-UHFFFAOYSA-N	410.465	4.530	50	20	HJGD	
O=C(Nc1cc(N2CCOC2=O)ccc1F)NN(Cc1ccccc1)c1ccccc1	1319781786	OOCMMGLIQFGWFO-UHFFFAOYSA-N	420.444	4.526	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1csc(Cc2ccc(Cl)cc2)n1	1338205529	VLKYJVYVAFAJRF-UHFFFAOYSA-N	404.831	4.523	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3F)CCC2)cc1	1790489570	GUMRIBFIVBCOQH-KRWDZBQOSA-N	406.860	4.730	50	20	HJGD	
Cc1ncoc1C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124324	AWOQFMUOZKTKQY-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cnc3c(cnn3C(C)C)c2)c(C)n1CC(C)C	17526419	ARASAALCYAJNPU-UFWORHAWSA-N	404.518	4.632	50	20	HJGD	
O=C(NNC(=O)[C@H]1CC=CCC1)c1ccc(CSc2ccc(Cl)cc2)cc1	21875919	SYSGCWWGSMWWKL-INIZCTEOSA-N	400.931	4.750	50	20	HJGD	
COCC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	732778757	IGCWYBMAWUKJOH-UDWIEESQSA-N	411.933	4.540	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1	733076748	XMMJFHXRVWUZMK-UHFFFAOYSA-N	416.462	4.564	50	20	HJGD	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNc1ccc(F)cc1F	733364554	KXWSAZHRZUZGDX-UHFFFAOYSA-N	421.856	4.997	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1)c1ccc(Cl)s1	734068393	GAGUCHXOPHKSHX-MRXNPFEDSA-N	423.966	4.922	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1cc2c(s1)CCCCC2)c1ccc(Cl)s1	734068997	LVUOGLSMWBCGAR-LBPRGKRZSA-N	411.980	4.827	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)[C@H]1C[C@H]1c1c(F)cccc1F	734865690	YBKQKQIMONCMFG-ZJUUUORDSA-N	401.638	4.628	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2c2ncon2)c(C)n1C1CCCCC1	737615164	GDVQCQBGGHMVGM-CNSVBDKNSA-N	407.518	4.654	50	20	HJGD	
COc1ccccc1[C@H]1CCN(C(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)C1	737747777	RIMCCYIZDAAZGI-BOURKTIISA-N	405.542	4.693	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)c(Cl)c1	743551354	BKKCFBKCEQISOI-INIZCTEOSA-N	404.898	4.599	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1ccc(C)c(C)c1)c1cccc(C(F)(F)F)c1	743822092	CKPUHFLEMUZEDK-GXDHUFHOSA-N	407.461	4.743	50	20	HJGD	
N#Cc1ccc(NNC(=O)CCCc2ncc(-c3ccccc3)o2)cc1C(F)(F)F	746892994	BACLXDLPLOLOFA-UHFFFAOYSA-N	414.387	4.698	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1	747381002	LDRNRIJJEJGZSP-UHFFFAOYSA-N	417.553	4.585	50	20	HJGD	
COc1ccc(Cl)cc1NC(=O)CCNC(=O)CCCC[C@H]1CCSS1	747426733	QOZQXVNRQPCSIP-AWEZNQCLSA-N	416.996	4.508	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)CCc1ncc(-c2ccccc2Br)o1	748561601	VTOPUEYXIGUHQA-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
COC(=O)c1cc2c(/C=C(/C#N)C(=O)c3c[nH]c4cc(F)ccc34)ccc(OC)c2o1	748997948	MEMKHGIGDDBGQJ-QPEQYQDCSA-N	418.380	4.638	50	20	HJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)Nc3cc(C)nn3-c3ccc(C)cc3)co2)cc1	749886948	RNTBLCPYSQCTNU-DEDYPNTBSA-N	423.476	4.998	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(-c2nc3ccccc3s2)o1	755858027	GNUCISWWHXJVIH-UHFFFAOYSA-N	410.402	4.789	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2Cl)o1)NNc1nc(C(F)(F)F)cs1	755860544	ZOXJZHWOYIETFL-UHFFFAOYSA-N	416.812	4.546	50	20	HJGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1	757568008	GXXHLTHMOYBNGV-KHPPLWFESA-N	422.229	4.853	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc(-c2ccccc2Cl)nc2ccccc12	759289614	AOTWZXLDABDABW-UHFFFAOYSA-N	419.828	4.615	50	20	HJGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)C1	766331051	FEJCYHPNJYBTFM-GOEBONIOSA-N	415.361	4.910	50	20	HJGD	
CN(C(=O)c1ccco1)c1ccccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	768008494	GRTCQXHQLKMUCM-UHFFFAOYSA-N	422.243	4.759	50	20	HJGD	
Cc1nn(C)c(C)c1CCOC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	773003613	GPEALGHMSYLWFW-KGENOOAVSA-N	408.546	4.653	50	20	HJGD	
C[C@]1(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCS1	773405739	XQVXNDMERCKTTM-CQSZACIVSA-N	404.426	4.684	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2ccc3ccccc3n2)c(-c2ccc(F)cc2F)n1	777463170	GGCMTEGRBCUSBB-UHFFFAOYSA-N	421.451	4.888	50	20	HJGD	
CC(C)C[C@H](CCO)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777984647	NQBUJEMHWDLKGG-LBPRGKRZSA-N	411.458	4.667	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1	779280486	FRMVHNDGFBVVMQ-ABAIWWIYSA-N	404.732	4.503	50	20	HJGD	
O=C(O)c1ccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	781661680	XEOMOOPWRPSULJ-UHFFFAOYSA-N	403.350	4.843	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ccc(-c2cccc(C#N)c2)cc1	782753077	DJPHBZYDUJCCDG-OAHLLOKOSA-N	418.884	4.584	50	20	HJGD	
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982624	YBRGTZCAWJQWDZ-UHFFFAOYSA-N	403.394	4.870	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	783367515	SVSSBRFQEIPQSU-UHFFFAOYSA-N	412.276	4.646	50	20	HJGD	
COc1cc(NNC(=O)Nc2cc(Br)c(F)cc2F)ccc1Cl	788682840	QTMRGAVBARSDQO-UHFFFAOYSA-N	406.614	4.538	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(COc2ccc(Cl)cc2)cc1	790588348	UWHIYFDKTSXLSF-UHFFFAOYSA-N	415.808	4.723	50	20	HJGD	
C[C@H](c1cccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)c1)N1CCOCC1	792300320	XSRWJZGDXQSDOX-CYBMUJFWSA-N	409.317	4.535	50	20	HJGD	
O=C(NNC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)Nc1ccccc1	801988057	IWBAIAQEBXDQTC-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNC(=O)Nc3ccc(C)cc3Cl)o2)cc1	802047678	GNUGIJNGOKIKRU-UHFFFAOYSA-N	411.845	4.578	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1	817871026	WDRZIBHXLRHENV-HLVNSREUSA-N	423.822	4.937	50	20	HJGD	
O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)NNc1cccc([N+](=O)[O-])c1	915891896	QLODWHZUDQRRGT-FQEVSTJZSA-N	415.453	4.534	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cn1)c1ccccc1	917215888	JTCXDIQAKHBQTF-CYBMUJFWSA-N	412.833	4.540	50	20	HJGD	
Nc1cnnc(NNC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)c1Cl	1319775984	AKIVDDCSTZJZND-UHFFFAOYSA-N	424.675	4.568	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1	1786012478	HVAUZSLYBHXVPY-UHFFFAOYSA-N	409.917	4.571	50	20	HJGD	
CC(C)(C)CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](O)CCl)CCC2)cc1	1791379887	MYWCJWNKSRWWLV-IBGZPJMESA-N	422.997	4.717	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)ccc2C)n[nH]1	1814575105	CLJPHUZYVJUDEV-WMZOPIPTSA-N	420.916	4.571	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)c1	6964743	JTLAIWKGHCHTJI-UHFFFAOYSA-N	416.506	4.743	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1C	730993832	DBAMZBPQZAVXBZ-DDLUMYACSA-N	422.554	4.549	50	20	HJGD	
O=C(NN=C(CC(F)(F)F)c1ccc(Br)cc1)c1ccc(Cl)nc1	731925809	XGWHMUZCPSCCAE-UHFFFAOYSA-N	420.616	4.584	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC3CC3)cc2)c1C	733117714	PGVFPHVOEIOCCL-RHLNUJDMSA-N	407.514	4.647	50	20	HJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2csc(N(C(C)=O)C3CC3)n2)cc1	734305973	IWBJOUINRZKDCG-FMNVXAMXSA-N	408.527	4.718	50	20	HJGD	
CC[C@H](c1ccncc1)N(CC)C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	739661900	UDKUBRJOXBNNMS-NCKBRZGUSA-N	420.557	4.586	50	20	HJGD	
Cc1nc(CCC(=O)NNc2c(Cl)cc(Br)cc2Cl)cs1	742005781	HXSBAJSQYZXAPR-UHFFFAOYSA-N	409.136	4.597	50	20	HJGD	
CC[C@@H](NC(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccncc1	745836213	NUMXQBQCKBJBHV-CYBMUJFWSA-N	417.229	4.640	50	20	HJGD	
CC(C)(C)C[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1	745838978	IQJVGANCFDOOTF-IBGZPJMESA-N	412.921	4.943	50	20	HJGD	
Cc1nc(C)c(CNC(=O)NNc2c(Cl)cc(Br)cc2Cl)s1	745861134	JOBGCJQPHLGLRR-UHFFFAOYSA-N	424.151	4.656	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1	748106171	IDHHTKTXHKMKCO-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)n1	748336353	UAWLIDROVQBMNB-UHFFFAOYSA-N	424.675	4.689	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc(-c2ccccn2)nc2ccccc12	748643096	BFTCXYCAFNPMSS-UHFFFAOYSA-N	406.392	4.655	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1CCN(C(=O)OCC(C)C)CC1	748674110	OJKJIYQWUQSYHW-UHFFFAOYSA-N	417.575	4.828	50	20	HJGD	
CCCCN1C(=O)CC[C@H](C(=O)NNc2cc(C)ccc2C)[C@@H]1c1ccccc1OC	750715701	SBNQGYMDMVFTDU-RDPSFJRHSA-N	423.557	4.535	50	20	HJGD	
C[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H](C)N1CCOCC1	752976297	NYNUAGUUXMHUQQ-NWDGAFQWSA-N	403.417	4.575	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NNc3cccnc3Cl)cc12	754480129	LCMJPAPEJZHXMZ-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H](C[C@H]1CCOC1)c1ccccc1	754652700	GHHLFAFZRKEOMX-CXAGYDPISA-N	411.399	4.639	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1nc(-c2cccc(C(F)(F)F)c2)no1	766750683	SXTXDDVPGXRESR-LBPRGKRZSA-N	421.213	4.608	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)NNc1ccc2ccccc2n1)c1ccccc1	777460021	LEALHSCJMJZWJZ-FQEVSTJZSA-N	420.513	4.724	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	777462531	VBFBICABLCXXHS-UHFFFAOYSA-N	400.394	4.692	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccnc2-c2ccc(C)s2)c1C	782944545	ADDRWMGPGAYINC-UYRXBGFRSA-N	420.538	4.729	50	20	HJGD	
O=S(=O)(NC[C@H]1Cc2ccccc2O1)c1ccc(S(F)(F)(F)(F)F)cc1	782984835	XEHXKFZYQFQRPH-GFCCVEGCSA-N	415.405	4.626	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cnc3c(C)cc(Br)cn23)c1C	783696187	JMIWKACJOOMKQP-NVNXTCNLSA-N	409.287	4.568	50	20	HJGD	
C[C@@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@H]([C@@H](C)O)C1	785533002	JVBAPZGPGMIDHH-GYSYKLTISA-N	409.442	4.514	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc(F)cc2Cl)c(C)n1C[C@H]1CCCO1	786310277	LHPAJSVDXNQOGI-BFHGZXLWSA-N	416.880	4.727	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(OC)c(OCCCC#N)c1)c1ccccc1	787144159	GWNGHKVGFNJZPX-WOHXKIKESA-N	403.482	4.552	50	20	HJGD	
C[C@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)c1nc(C(F)(F)F)cs1	787421305	QOCJAACZBYIZGC-YFKPBYRVSA-N	417.215	4.995	50	20	HJGD	
COc1cc(NNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)ccc1Cl	790177904	QEWIKNGPHWRFSL-UHFFFAOYSA-N	408.310	4.811	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3c(Cl)cc(Br)cc3Cl)ccc2o1	791608547	MDCOGANVTLTQAU-UHFFFAOYSA-N	415.074	4.962	50	20	HJGD	
CC(C)(C(=O)NNc1nccc2sccc12)c1csc(-c2cccs2)n1	800691553	ZQRSCSGCVQJEQK-UHFFFAOYSA-N	400.554	4.902	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCCc2occc2C1	808968059	FDTAQRASUKVWON-UHFFFAOYSA-N	410.364	4.851	50	20	HJGD	
CC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	913252339	GYGRQWXFHLSWAM-ZUZCKIMGSA-N	404.388	4.541	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccccc3I)n2)cc1	915863058	RTLKGCWGZIXRBS-GDNBJRDFSA-N	413.218	4.714	50	20	HJGD	
C[C@@H](CNC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1	915904160	PPNULVOHKFFNAV-SFHVURJKSA-N	424.504	4.650	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2SC(F)(F)F)c1C	916060694	DAVYFHDBFDTBFE-LFIBNONCSA-N	423.460	4.909	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1C	916480016	BCDXTPGCSSRSNQ-DEDYPNTBSA-N	406.530	4.589	50	20	HJGD	
N#C/C(=C/c1cc2c(cc1Br)OCO2)c1nc(-c2ccncc2)cs1	920069216	JPUJKLKFZKEGRD-ACAGNQJTSA-N	412.268	4.760	50	20	HJGD	
CCN(CC)C1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	1324211219	SGOROGDFOGCXEX-UHFFFAOYSA-N	422.485	4.839	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)s3)CCC2)cc1	1786442198	AOXKBFRCCTUWEK-INIZCTEOSA-N	420.962	4.912	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CCC3)CCC2)cc1	1790485914	MIJQITYLOJPJDY-HNNXBMFYSA-N	416.871	4.871	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1	1790487327	NNQOHNQYMBHYDC-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1	1822104153	JZLNYAWIYZFDAC-MTNOOBJLSA-N	423.001	4.882	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(C)c2)CC1	1826488071	BSHJBPMFZWBNNQ-YADHBBJMSA-N	419.009	4.565	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](C)c2ccccc2)CC1	1830312080	FWUVZDPOFIFBOD-NYVOZVTQSA-N	419.009	4.817	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2ccccc2)CC1	1832037217	BEBCOZLGMBBQIM-NYVOZVTQSA-N	419.009	4.502	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1	23778516	IRUKJIJQQJVAEQ-WOJGMQOQSA-N	415.877	4.620	50	20	HJGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	26133383	BHNKYEUBFRZXKH-MHWRWJLKSA-N	404.278	4.517	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)c3ccccc3F)c2)cc1	210366882	XKWQTPXVPAOBRT-AQTBWJFISA-N	400.409	4.876	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2cccc(Oc3ccccc3)c2)cc1	727497106	HBJLGVLUYIWZPA-UHFFFAOYSA-N	421.522	4.898	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	728175822	FVEHNMUZQCNBBZ-FRKPEAEDSA-N	422.268	4.657	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCCOC2CCCCCC2)c1C	740944439	BVGQLPAGHTXELG-SXZORUHJSA-N	402.535	4.502	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(OC(F)F)cc1	741867843	SXLXXAWRHQENLD-UHFFFAOYSA-N	421.256	4.618	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)Cc2cccc(Br)c2)cc1	745844577	WPMMGKDQHHFLDH-PDGQHHTCSA-N	413.315	4.803	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NNc3cc(F)c(F)c(F)c3)c12	746704160	VINYAQGMKGRIQD-UHFFFAOYSA-N	419.451	4.792	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cccc(Oc2nccs2)c1	748173319	GFVOCDNPAPRDJK-UHFFFAOYSA-N	408.252	4.594	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC(=O)c1cc2ccccc2o1	749833089	YDPYPVUUOBJTBB-UHFFFAOYSA-N	406.873	4.712	50	20	HJGD	
O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccccc1C1CC1	751130281	XGDVMIZSZYHXEV-UHFFFAOYSA-N	400.478	4.672	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)[C@H](C)CC(=O)c1ccccc1F	753168652	FGFJNMMOCZOEPW-GFCCVEGCSA-N	407.283	4.503	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(C(F)(F)F)ccc1F)c1nc(C2CCCCC2)no1	754663876	SKHVWHPHIMPYCU-SNVBAGLBSA-N	415.391	4.663	50	20	HJGD	
CC[C@H](C)n1ncc(C(=O)NNc2ccc(Br)cc2Cl)c1C1CC1	760504419	MPXLNFNUFBAODS-JTQLQIEISA-N	411.731	4.904	50	20	HJGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN=Cc1ccc(F)c(C#N)c1Cl	761768895	HKJNOJQHHOYXTO-GFCCVEGCSA-N	408.260	4.539	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NC1Cc2ccccc2C1	762682800	JIKBPHVBYCKVOG-UHFFFAOYSA-N	406.376	4.566	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1Br	765613691	WQPDWGBBNUXENS-YRNVUSSQSA-N	413.256	4.940	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)c1	768704586	VMMFDIKREIJUED-UHFFFAOYSA-N	417.227	4.948	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)OC[C@H](C)CBr)c12	770343253	APRCMCZYCAPBJF-LLVKDONJSA-N	408.340	4.560	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C	773771218	OQJBFJJNLNQGMJ-UHFFFAOYSA-N	412.342	4.884	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(F)cc(Cl)cc2F)c(C)n1C[C@H]1CCCO1	775498850	CIGHHECYVSUNJM-SXKJYUOZSA-N	419.859	4.761	50	20	HJGD	
O=C(NN=C1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1nnc(O)c2ccccc12	776179150	NIEVKSAJXVNKPY-LBPRGKRZSA-N	415.280	4.696	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNc3cccc(S(C)(=O)=O)c3)sc2c1	776539271	VNHPJFJMCJMEOW-UHFFFAOYSA-N	422.959	4.839	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(C)c1	780951381	CZLGBLAIKSRMLZ-UHFFFAOYSA-N	407.420	4.642	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(Br)cc2)ccc1-c1ccccc1	783009939	UDPJHZBBPQXAKU-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
Cc1cc(Cl)c(NC(=O)C(=O)NNc2cc(Cl)ccc2Cl)cc1Cl	783369555	NBSLSJNATXRGBR-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ncccn2)c(C)n1-c1cc(Cl)ccc1Cl	787290847	NSGPPCKLBGRKIP-OQLLNIDSSA-N	412.280	4.737	50	20	HJGD	
CC(C)n1c([C@H]2CCCN2C(=O)/C(C#N)=C/c2ccc(O)cc2)nc2ccccc21	787403864	SNBDFWKDMKWLMI-OVWUPXBPSA-N	400.482	4.593	50	20	HJGD	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791726184	FHRCUQSUFLBDOY-UHFFFAOYSA-N	400.693	4.998	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)c1ccc2ncccc2c1	794884670	KPNNCXFKTRGGBR-RQZCQDPDSA-N	411.442	4.877	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)C1CCOCC1	794953878	PIVCRIFKIXZYPN-WJDWOHSUSA-N	412.829	4.943	50	20	HJGD	
COc1ccc(-c2nc(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)cs2)cc1	797094562	GFPZJBPQRWDKNN-VCHYOVAHSA-N	416.911	4.810	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	797399308	WMYWOMHSJOIXFJ-ACCUITESSA-N	413.264	4.733	50	20	HJGD	
CCCOc1cccc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1	804206460	GJPOFMHSAQQYJK-UHFFFAOYSA-N	416.403	4.708	50	20	HJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCc3occc3C(=O)O)cc2)cc1C	809160316	MMGJLTWBPSNNSL-XDHOZWIPSA-N	401.418	4.964	50	20	HJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	813575420	ULMWCKDSAKOUNX-GFCCVEGCSA-N	417.296	4.573	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1CCC(OC[C@H]2CCCO2)CC1	814692415	BOABNRZRLJVKDS-UXUKBGGZSA-N	421.752	4.844	50	20	HJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c(C)c1	916154248	FJOHQNOUHISQTR-PDGQHHTCSA-N	409.917	4.648	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(OCC#N)c3)c2C)c1	916410996	LVPZLNHTUXYLEN-KGENOOAVSA-N	410.477	4.851	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(Cl)s2)c(C)n1C[C@@H]1CCCO1	916564656	SNHPSAJWRLFYPF-LTXFRBGYSA-N	417.962	4.564	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@@H]1CC(=O)N(C2CCCC2)C1	918559316	OMAUDUOMHJSMQO-DIFFPNOSSA-N	420.884	4.636	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1	918680033	HJJHRBQJHLARQM-HNNXBMFYSA-N	417.600	4.536	50	20	HJGD	
Cc1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)no1	920223799	TWOWBBWCIIKWPJ-BKUYFWCQSA-N	410.477	4.767	50	20	HJGD	
Cc1csc(CCCNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)n1	1115950171	CEMUREQIHIEUNN-XDHOZWIPSA-N	422.529	4.654	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)CC1c2ccccc2Oc2ccccc21)c1ccccc1	1318425866	KNBSAVBFSIOYGX-SFHVURJKSA-N	400.478	4.656	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1Cl	1319068712	PFUCIRLOOBEOQF-OKILXGFUSA-N	416.909	4.796	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1	1786443824	MJKZWXXAZSMHOT-LJQANCHMSA-N	424.932	4.718	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cc(F)cc(F)c1	1791606901	KYLSMBPSYMAKKI-UHFFFAOYSA-N	413.251	4.516	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccccc2)CC1	1824618442	VXEVYULVCMVKFD-BVYCBKJFSA-N	419.009	4.817	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	21670581	MKVRHIFYJGBCEO-RIYZIHGNSA-N	422.790	4.756	50	20	HJGD	
Cc1nc2ccc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)cc2s1	220137636	ABYFTKDKQRJUNL-JYWRCUDFSA-N	420.538	4.748	50	20	HJGD	
C[C@H](CN(C)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	727400426	XVLGHVCEXFBPKR-OGTCDWKQSA-N	423.520	4.633	50	20	HJGD	
CC(C)(C)c1ccc(SCC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	727792931	YGKIYVGTABKYNT-UHFFFAOYSA-N	411.354	4.844	50	20	HJGD	
O=C(Cc1cccc(OCc2ccccc2Cl)c1)NNc1ccccc1[N+](=O)[O-]	729965053	NKBBMWZRPXETHC-UHFFFAOYSA-N	411.845	4.513	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	730033383	UUVUAJWWVIDAJX-HXUWFJFHSA-N	404.482	4.526	50	20	HJGD	
N#C/C(=C/c1cc2c(cc1Br)OCO2)c1nc2cc(F)ccc2s1	730148876	OBZGGJKMLIOJKZ-KMKOMSMNSA-N	403.232	4.991	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12	730489518	SCGAQXHRMDKZAF-UHFFFAOYSA-N	415.405	4.741	50	20	HJGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1nc(-c2ccc(Cl)cc2)no1	732975572	QNILRXQKTSNEAH-UHFFFAOYSA-N	423.860	4.511	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cc2ccccc2s1	734260518	SLBCWSIWJBHTRX-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)o1	735657302	VJMPVGQWRFEWDW-WCJKSRRJSA-N	412.921	4.815	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCCC[C@@H]2c2ccc(C)o2)c1C	737742019	CUWDWBSZLONGQR-ONQWYEKWSA-N	409.530	4.704	50	20	HJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)Nc1ccccc1Br	741845494	YNGLYRSMSYCPAY-LCYFTJDESA-N	407.214	4.639	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@H]1C[C@H]1c1cccc(Cl)c1	741980529	XNHHFAQFJKNXEI-RYUDHWBXSA-N	401.638	4.628	50	20	HJGD	
O=C(CCc1nc2ccccc2n1-c1ccccc1)NNc1cc(F)c(F)c(F)c1	746710452	RGMDTSLEGJPKRR-UHFFFAOYSA-N	410.399	4.519	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(Cl)ccc1Br	748058837	BIDXHPDJVKLHMW-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(-c3cccs3)nc2C)ccc1Br	748601804	GNYNRZPLAXZJJC-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)c3cc4ccccc4o3)c2Cl)c1	749818238	TWFDASWXRWXTAM-UHFFFAOYSA-N	406.873	4.961	50	20	HJGD	
O=C(NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cc2ccccc2o1	749839851	IVICDMNTGGFHHF-QHCPKHFHSA-N	409.445	4.773	50	20	HJGD	
C[C@@H]1CCC[C@@H](CC(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)C1	749930999	LNOCUYVLUSCPNB-GHMZBOCLSA-N	407.889	4.893	50	20	HJGD	
Cc1ccc(C(=O)NN=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)o1	752173320	ALNYHJZTEPFWKJ-UHFFFAOYSA-N	416.264	4.911	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1SCC1CCCC1	754830647	RYXRPVIXMKACTI-UHFFFAOYSA-N	416.459	4.542	50	20	HJGD	
O=C(CNc1cccc(S(F)(F)(F)(F)F)c1)NC[C@@H]1Cc2ccccc2O1	762534485	RFSZXZWTZRTEBN-AWEZNQCLSA-N	408.392	4.876	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3ncc(C)s3)CC2)c1C	762724436	AWVZWOLPQMACMB-FYJGNVAPSA-N	410.587	4.983	50	20	HJGD	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@@H](Br)C(C)(C)C	768252591	BFZHLCNWMJOOGE-UKRRQHHQSA-N	418.807	4.974	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	772861273	UDXBFNMPGHCGRW-UHFFFAOYSA-N	408.314	4.787	50	20	HJGD	
CSc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	775970265	ACKKZLWVNJASCW-FHTAPLDASA-N	409.555	4.860	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)c(-c2ccc(C#N)cc2)n1	777871301	KKMAYXXRCZUKLU-RIYZIHGNSA-N	423.295	4.573	50	20	HJGD	
Cc1cc(NNC(=O)CCCCC(=O)c2ccc(F)cc2)ccc1Br	779011443	IPYWLTZXETZVLU-UHFFFAOYSA-N	407.283	4.783	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1	781553228	OGVGKOFHDOQOLU-XDHOZWIPSA-N	406.438	4.849	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1ccccc1Nc1ccc(SC(F)F)cc1	781819818	LUDYKDHFTPRDKQ-UHFFFAOYSA-N	421.860	4.945	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1	783553428	UMDYXOMZKYBUQP-UHFFFAOYSA-N	401.919	4.678	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COC(=O)/C(C#N)=C/c1ccc(O)cc1	784021090	MBUQWZFJKHGMKT-YBFXNURJSA-N	421.884	4.558	50	20	HJGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1	784790501	WAXMBCZIVQZGSA-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2cccc(C3SCCS3)c2)cc1	784806752	LFLGNVRRMPBSMV-UHFFFAOYSA-N	415.584	4.545	50	20	HJGD	
Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)NNc1ccccc1C(F)(F)F	788711924	ZKJMOOLREXYQTP-UHFFFAOYSA-N	411.334	4.533	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1ccccc1Cl	801502449	KTYCFHOPPYSUKX-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
C[C@@](CO)(NCc1ccc(OCCCCl)cc1)c1cccc(C(F)(F)F)c1	811480392	WQBGYZLDGSFUSS-IBGZPJMESA-N	401.856	4.710	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1C	844146822	QNZXHOYCLWIPLY-WBCPJCJFSA-N	409.505	4.722	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(Cl)nc2)cc1	915973184	GTBHJAGDABXEIU-UHFFFAOYSA-N	415.884	4.660	50	20	HJGD	
COCCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc3ccccc23)c1C	916060456	MYUQWCCZSKHVKM-CJLVFECKSA-N	401.510	4.697	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2csc(Nc3ccccc3C)n2)c1	916601923	HDWABYNAKLJEJL-YVLHZVERSA-N	405.479	4.854	50	20	HJGD	
CC(C)c1cccc(NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1	917572854	VUOQALCQSUHOBQ-INIZCTEOSA-N	407.539	4.748	50	20	HJGD	
CC(C)CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918238945	FIXSMIMEDFGWAS-BDJLRTHQSA-N	410.889	4.785	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)n1	920928813	FYSSWFZALVFLEP-UHFFFAOYSA-N	423.329	4.596	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cs2)CC1	1824672421	KJPAVCFPUQFHQY-ROUUACIJSA-N	411.011	4.697	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1	1830315079	VUDVEHJSPRZRNS-FCHUYYIVSA-N	416.993	4.815	50	20	HJGD	
CC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)c1	7918777	MGQFAQLYWXKNGR-UDWIEESQSA-N	401.441	4.982	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2F)ccc1OC(=O)c1ccc(F)cc1	16883066	ZQDDGONQOUPHJH-SFQUDFHCSA-N	419.383	4.982	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCOc2cccc3cccnc23)c1C	111223164	OJCNANZZUPMGQX-JWGURIENSA-N	416.525	4.555	50	20	HJGD	
COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c2c(c1)C[C@H](C)O2	727743683	GTJGFTQHTJPSPT-AXLKIAQESA-N	424.305	4.664	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c(C)c1	730037368	RRXDJAJIELTZQF-UHFFFAOYSA-N	411.477	4.880	50	20	HJGD	
O=C(CSc1cccc2cccc(Cl)c12)NNC(=O)c1cccc2ncccc12	730226998	WZTNYPKOHKAUQP-UHFFFAOYSA-N	421.909	4.595	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cc(C(C)C)no3)c2C)cc1	733945874	BIHMRCUPAYAUTL-RGVLZGJSSA-N	402.498	4.737	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3cc(C(C)C)no3)c2C)c1	733946427	LYOLLDUHDCMZGF-JAIQZWGSSA-N	402.498	4.737	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c2cccc(Cl)c2)c1C	737597573	VAGSVJNOJZIVHP-YDDPGSGASA-N	413.949	4.924	50	20	HJGD	
CC(C)(C(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	739466161	OCWGNEUDPUYYNT-UHFFFAOYSA-N	402.665	4.976	50	20	HJGD	
CCn1c(C(C)=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)nc2ccccc21	741457083	ROBKKQXMYILSKO-QGZVFWFLSA-N	400.482	4.517	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c1C	745807030	UVZKKFGEBOJLKR-QFXGEWDLSA-N	405.542	4.587	50	20	HJGD	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2c(C)nn(CCCl)c2C)cc1	746218321	GFCIFRGBVCIGOL-UHFFFAOYSA-N	417.918	4.580	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccccc2Br)cnn1-c1ccc(F)cc1	748060697	YTTYXDBDURVISB-UHFFFAOYSA-N	417.282	4.654	50	20	HJGD	
O=C(CCc1ccccc1)NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	749740821	RQHYQPTUEXJQDK-UHFFFAOYSA-N	403.429	4.912	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1cc(NCc2ccccc2)nc2ccccc12	750235549	HMFQNSLFRGQVSO-UHFFFAOYSA-N	403.873	4.652	50	20	HJGD	
N#C/C(=C/c1ccc(Br)c(Cl)c1)C(=O)N(CC(F)(F)F)C1CC1	754826949	JVYVEUMLTLILCI-YHYXMXQVSA-N	407.617	4.563	50	20	HJGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)C[C@@H]1C	758101211	ZJMRHZWKYHNWNB-RDJZCZTQSA-N	419.481	4.580	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c(Br)c1O	761013144	VZFMHDZGSPOCCB-JYRVWZFOSA-N	414.284	4.746	50	20	HJGD	
CN(C)C(=O)c1cc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1F	770061242	ILJWFHFMJNJHEV-UHFFFAOYSA-N	419.671	4.636	50	20	HJGD	
CS(=O)(=O)c1ccc(CNc2ccccc2S[C@H](Cl)C(F)(F)F)cc1	770514227	MKMKICWFNUZUJM-HNNXBMFYSA-N	409.882	4.922	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@H](CC(F)(F)F)c1ccccc1C)c1ccccc1	775181574	PBVJUSYKBYOBPP-FUHWJXTLSA-N	407.436	4.513	50	20	HJGD	
C=CCC[C@H](C(=O)NNC(=S)Nc1cccc(Br)c1)c1ccccc1	777765500	GBKLPWFXTVZUMA-KRWDZBQOSA-N	418.360	4.517	50	20	HJGD	
COc1ccc(C(=O)c2ccccc2C(=O)NNc2ccccc2C(F)(F)F)cc1	781260299	KFGSQHDYZAZMQH-UHFFFAOYSA-N	414.383	4.702	50	20	HJGD	
Cc1cc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)nn1CCC#N	782915501	HTEVSXAMDBCXIO-UHFFFAOYSA-N	416.397	4.563	50	20	HJGD	
CN(NC(=O)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1	783424587	GUQYYCCXUJXUGA-UHFFFAOYSA-N	411.914	4.597	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ncc(-c2ccccc2Br)o1	785345469	PRRHSAWNBOESSZ-XNTDXEJSSA-N	409.239	4.754	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	786042677	CXESTNQKIOWKPA-GXDHUFHOSA-N	406.847	4.730	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)ccc1Cl	788623533	CBAXSXRIEUTOHQ-UHFFFAOYSA-N	416.840	4.610	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(Br)cc2)c1)c1cnc2ccccc2n1	790227490	JSYNQPUOSMZNOA-DHDCSXOGSA-N	402.255	4.642	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)C1CCOCC1	794953918	PTYUPSDPSCNPIG-UYRXBGFRSA-N	403.507	4.563	50	20	HJGD	
Cc1ccncc1CN(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	797376964	HQRHOROGRZUOJI-UHFFFAOYSA-N	409.380	4.645	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl	797397790	HBXJSCCXVKAWLX-JLHYYAGUSA-N	413.264	4.733	50	20	HJGD	
CON(CC1CCOCC1)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	801611275	BKOCIZMXYJCWJF-CQSZACIVSA-N	412.861	4.728	50	20	HJGD	
O=C(NNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1cc(F)cc(F)c1	802001625	NWYKVSFFDYOOKR-CAOOACKPSA-N	417.412	4.559	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(F)cc1Br)c1cccc(Br)c1	812536795	ORZOYNIBQXMPDQ-SECBINFHSA-N	416.088	4.598	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cncc(-c3ccsc3)c2)c1C	816255282	PIFCRWRRGZAJSZ-FBHDLOMBSA-N	421.522	4.525	50	20	HJGD	
COc1ccc(NNC(=O)C2(c3ccc(F)cc3F)CCC2)c(C(F)(F)F)c1	816702579	TUJYHCVLZHVLCX-UHFFFAOYSA-N	400.347	4.557	50	20	HJGD	
COc1c(F)ccc(F)c1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015305	WELDQXSHKSQEOI-UHFFFAOYSA-N	414.252	4.768	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc([N+](=O)[O-])c1	817016412	TUOCZYJBWFOYII-UHFFFAOYSA-N	407.270	4.698	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1	898462618	RTBNKRPSGCUPNM-BARSGRSVSA-N	423.582	4.643	50	20	HJGD	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CC)cc1F	915916729	MIIDVULYEAGGBH-UHFFFAOYSA-N	408.477	4.717	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	916353042	AGTWNNZCUPQZTH-CYBMUJFWSA-N	412.946	4.784	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C	919925790	KBJDYGPOWCPPPJ-BKUYFWCQSA-N	408.502	4.767	50	20	HJGD	
COc1ccccc1-c1ccc([C@H](C)NC(=O)NNc2ccc(C(C)(C)C)nn2)cc1	1319175151	GNKDYNRSQDKELA-INIZCTEOSA-N	419.529	4.837	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1	1790488794	DDNZMFJYDARGQZ-FQEVSTJZSA-N	423.340	4.583	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccc(Cl)c(F)c1	1790615478	CSTMLCJYWOQIMG-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1791161107	SIRUWBTZQGSLCF-IFXJQAMLSA-N	420.887	4.673	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)CCC1)[C@H](F)Cl	1791524779	UOBDQVAKVZISSN-IBGZPJMESA-N	414.908	4.777	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1	1820860170	HMPAHNIKLGEOLW-YWTNHNAXSA-N	423.001	4.882	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2C)CC1	1830314954	QVHKYDYIMUHYTH-SFTDATJTSA-N	404.982	4.554	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CCCC12CN(C(=O)C13CC(C1)C3)C2	1845125274	JEEZCTAWSVLYQW-UHFFFAOYSA-N	409.014	4.740	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(OCC)c1	7160118	UOVKCNQOIVTSIV-RVDMUPIBSA-N	402.397	4.631	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3cc(C(=O)OC)c(C)o3)n2)cc1	17699829	VVIHQTKIFGBKCE-CXUHLZMHSA-N	421.478	4.606	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(COc2ccccc2)cc1	97632591	GQWARTHXJCHBRN-UHFFFAOYSA-N	415.276	4.647	50	20	HJGD	
N#CCCn1cc(C=NNC(=O)c2c(Cl)cccc2Cl)c(-c2ccccc2)n1	727781667	UWDNVNSVFCICRF-UHFFFAOYSA-N	412.280	4.534	50	20	HJGD	
Cc1nc(-c2ccc([C@@H](C)NC(=O)NNc3cccc([N+](=O)[O-])c3C)cc2)cs1	728128832	OFYYOMVRXWQQAK-CYBMUJFWSA-N	411.487	4.722	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=C3CCC[C@H]3C)c3ccccc3n2)cc1OC	729143923	NUTDWZOYLMPNKF-OAHLLOKOSA-N	403.482	4.825	50	20	HJGD	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNc5nccnc5Cl)(C4)C2)C3)cc1C	734261129	VELAWFAXZHMUOT-TWVWUCKLSA-N	410.949	4.728	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc3ccsc3s2)c(C)n1C[C@H]1CCCO1	735460874	GATUXAJKIXGAQI-QOBZYLRHSA-N	412.540	4.501	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)s1	746897472	ZNDXZXRRCFQZAI-UHFFFAOYSA-N	402.401	4.766	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1C	747128122	OQFZHEJJEQDADC-QFXXMJIKSA-N	415.541	4.970	50	20	HJGD	
COC(=O)Nc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1	747601115	XZXWSAKEHNDYKN-UHFFFAOYSA-N	421.297	4.659	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccc(Br)cc1Cl	748074136	PPJRWQMUBZHSHH-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1c(-n2cccc2)sc2c1CCSC2	748659249	HYBCWVORUDKUIH-UHFFFAOYSA-N	421.494	4.686	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Br)cc2F)cnn1C1CCCC1	752633024	VYNZZMNYKNOODV-UHFFFAOYSA-N	409.303	4.609	50	20	HJGD	
CC(C)(C)N1C[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1=O	752988449	VIUMKXMWQQIOQY-LLVKDONJSA-N	401.401	4.865	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccc(NC(=O)C2CC2)cc1	754558216	MUNIVVVPVFDWPO-LLVKDONJSA-N	424.398	4.580	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1ccc(-c2nc3ccccc3o2)cc1	755583899	RHZWIHVGFJRKAZ-UHFFFAOYSA-N	423.432	4.510	50	20	HJGD	
Cn1ccnc1[C@H]1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	756294958	YZEZTNVIPYIWLK-XHDPSFHLSA-N	418.872	4.661	50	20	HJGD	
Cc1ccc(Br)c(C(=O)NNc2c(F)cc(F)cc2Br)c1	763410074	YUJZLLVSVHESPR-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(-c2noc(C(F)(F)F)n2)cc1	763608940	JLVNREUYZKODJU-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@@H](CCO)c1ccco1	769222417	LZYKJBGMCIFCAD-IINYFYTJSA-N	408.829	4.744	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)C(=O)NNc2cccc(Cl)c2C)c1C	773769271	YCLYNSDKSWOYHH-UHFFFAOYSA-N	417.937	4.744	50	20	HJGD	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C(F)(F)F)cn1	775252724	RNJMZAMXWHJGDX-UHFFFAOYSA-N	414.409	4.658	50	20	HJGD	
COc1ccc(C(=O)NN=C2CC=C(c3ccc(F)cc3)CC2)cc1Br	776770236	PZGLIXNDALIVCW-UHFFFAOYSA-N	417.278	4.950	50	20	HJGD	
O=S(=O)(NCCOc1ccccc1)c1cccc(S(F)(F)(F)(F)F)c1	777853368	LGJXCHAZRIWFMG-UHFFFAOYSA-N	403.394	4.701	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1	779126602	HFWQFISJZCBFIQ-XMHGGMMESA-N	421.497	4.656	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cncn2CC(F)(F)F)c(C)n1CCC(C)C	797129503	YDDSXZIIYDXKAD-QGMBQPNBSA-N	422.451	4.560	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2SC)c1C	799404070	OQCGDSZWBVCMPW-UIPUUYQRSA-N	411.571	4.819	50	20	HJGD	
O=C(CC(F)(F)F)Nc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1	801887843	XJOWDQLRLQZTGS-UHFFFAOYSA-N	420.313	4.745	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N(Cc2ccccc2)c2ccccc2)cc1	802400138	MNUWKIHRWSJKKU-KQWNVCNZSA-N	410.473	4.679	50	20	HJGD	
COc1cc(C(=O)NNc2cccc(Cl)n2)ccc1OCc1ccc(Cl)cc1	817006027	SLSCWQQXTNPTTE-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc1OC(F)F	915863978	WEWBEDJGBBIGFA-GHXNOFRVSA-N	407.442	4.596	50	20	HJGD	
O=C(O)c1ccccc1C=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	915922868	KMJXRPFQEWPMPD-UHFFFAOYSA-N	413.408	4.503	50	20	HJGD	
CCCC(=O)Nc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	916078744	ASYHCSHLCVRWIV-LPYMAVHISA-N	420.557	4.723	50	20	HJGD	
O=C(NN=Cc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2ccco2)nc2ccccc12	916283697	NPUQSDMRBPAGTM-UHFFFAOYSA-N	420.812	4.820	50	20	HJGD	
Cc1ccccc1C(=O)NN=Cc1csc(-c2cccc(Br)c2)n1	916361788	HLYOHLSZYYPSJP-UHFFFAOYSA-N	400.301	4.645	50	20	HJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc(OC(F)F)cc1	917008150	NBCHNDDIZWTBPV-UHFFFAOYSA-N	415.420	4.734	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	918685114	FTOVLUKDPFCTGV-KWLXYHDNSA-N	420.353	4.582	50	20	HJGD	
Cc1c(/C=C(/C#N)c2nnc(-c3ccc(OCCC(C)C)cc3)o2)cc(C#N)n1C	1257758615	HFVZQENMVKUESD-ODLFYWEKSA-N	401.470	4.744	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1	1786011600	HSPOFZJBGFVQMW-UHFFFAOYSA-N	402.922	4.611	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccoc3)CCC2)cc1	1786442459	IUYDKFKTWHYNGU-CEQQRPIWSA-N	400.906	4.834	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)[nH]n1	1815322081	LDYFIEOQNQVEBC-IEBWSBKVSA-N	416.953	4.740	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc2OC)cc1	7155961	SANCHNDYBKCVAM-XDHOZWIPSA-N	407.466	4.583	50	20	HJGD	
CCCCOc1ccc(C(=O)NNC(=S)Nc2ccc(C(C)C)cc2)cc1OC	7584976	AGCSAMMBORNNPO-UHFFFAOYSA-N	415.559	4.629	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(F)cc2Cl)c1C	9843995	GJNXOSFKSCISFG-PVJNQWLSSA-N	404.869	4.755	50	20	HJGD	
CC[C@H](C)C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	28279590	QDSZMDWPCADSHD-SFHVURJKSA-N	402.494	4.740	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(SC(=O)N(C)C)cc2)c1C	111000677	TWWYGUZTAPJOLE-AQTBWJFISA-N	410.543	4.834	50	20	HJGD	
N#C/C(=C\c1csc(-c2cccs2)n1)C(=O)Nc1nc(-c2ccncc2)cs1	728439419	KMUWHVMXUPYZPP-MDWZMJQESA-N	421.532	4.936	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nn1)C(=O)Nc1ccccc1Oc1ccccc1	728694896	MGWSTUXPJUGCAM-OBGWFSINSA-N	407.433	4.605	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cccc(OCc2ccccc2C(=O)O)c1)C1CCCCC1	732715801	ADSXDZDNEBEZMW-XSFVSMFZSA-N	418.493	4.662	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CCCCC1	732716583	VVTKQBMZMJVFNO-SSZFMOIBSA-N	402.420	4.589	50	20	HJGD	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)nn(CCCl)c1C	733931218	VBVFENMDONVPEC-UHFFFAOYSA-N	422.916	4.750	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccc(N2CCc3ccccc3C2)cc1	734249050	IBQYUNINFQFMCL-UHFFFAOYSA-N	400.507	4.616	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c(C(N)=O)cc1F	736527609	PIAZSNALLWQHDY-WOJGMQOQSA-N	422.504	4.702	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	744379119	KHUCYTYYNVJYCX-ZDUSSCGKSA-N	420.941	4.577	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCN(C(C)C)C2)c(C)n1C1CCCCC1	745997890	YUWNBIVWXMGVLS-KURUZVKSSA-N	410.606	4.754	50	20	HJGD	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NNc1ccc(OC(F)F)cc1	748650908	WQBPEWKWYJHFCW-SNVBAGLBSA-N	417.225	4.512	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1SCc1ccco1	748725847	QMBXBSPOKAUNHQ-UHFFFAOYSA-N	403.847	4.890	50	20	HJGD	
CCC(=O)c1ccc(OCCCCC(=O)NNc2ccccc2Br)cc1	749267433	GKMHOJZEICFKJJ-UHFFFAOYSA-N	419.319	4.734	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1C	753371510	ZENZCQHBEAPVDU-DVSGDHBYSA-N	405.542	4.706	50	20	HJGD	
C[C@@H](C(=O)NNc1ncccc1C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1	762247577	MOPIIDGBWFLMKH-CQSZACIVSA-N	413.399	4.578	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CC[C@H](C(F)(F)F)NC1=O	762724437	QZRWHCGZWYMBRV-NXEZZACHSA-N	412.302	4.740	50	20	HJGD	
COc1ccc(/C=C2\N=C(SC/C=C/C#N)N(c3cc(C)cc(C)c3)C2=O)cc1	763299361	UPHOTUWEERWBDI-YDHMXBBVSA-N	403.507	4.869	50	20	HJGD	
COCc1ccc([C@@H]2CCCN2C(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)o1	767248473	ZMVTXNWQRCRSLR-AFHVAHMMSA-N	409.530	4.771	50	20	HJGD	
CSc1nccn1-c1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	767405412	QVOVBWGCWPKGBN-UHFFFAOYSA-N	411.289	4.797	50	20	HJGD	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NNc2cccc(C#N)c2)cc1	769976821	HIEHBCWPPMCLNZ-UHFFFAOYSA-N	419.872	4.637	50	20	HJGD	
Cc1ccc(C)c(-n2ncc(C(=O)NNc3ccnc4cc(Cl)ccc34)c2C)c1	772387610	CKCKQQKERQPGGQ-UHFFFAOYSA-N	405.889	4.756	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccoc1Cl	774199512	AAWQGYWYGIWRPM-UHFFFAOYSA-N	411.757	4.709	50	20	HJGD	
O=C(O)c1ccc(F)c(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777601935	BBVZLJXRPHUMES-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
COc1ccc(CN(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cn1	778011908	HBUMWZBRLHZDIA-UHFFFAOYSA-N	418.409	4.568	50	20	HJGD	
C[C@@H]1C[C@H](CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO1	778065040	QUMDWBVIROSTJE-VXGBXAGGSA-N	409.442	4.828	50	20	HJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(Br)c(C)c1	780516493	OWJGUGGORSITQJ-UHFFFAOYSA-N	424.320	4.925	50	20	HJGD	
CC(C)n1c([C@H]2CCCN2C(=O)/C(C#N)=C\c2ccc(O)cc2)nc2ccccc21	787403863	SNBDFWKDMKWLMI-MTPVXSITSA-N	400.482	4.593	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1	788189924	IOVJTRLBQKEWSR-UHFFFAOYSA-N	416.456	4.503	50	20	HJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNc3nnc(-c4ccccn4)s3)cc2C1	788562731	SXFMQVXHXCUZSZ-ZDUSSCGKSA-N	413.572	4.570	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2N(C)C)c1C	790138849	QDWZZIIYHCRFPX-PACYTGELSA-N	414.937	4.577	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1	792398360	VBBDRIJNHGUABO-UHFFFAOYSA-N	419.312	4.831	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)cc1	792866455	GJQZVMNJVADDAW-OAQYLSRUSA-N	402.655	4.795	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(-c3ccccc3C)no2)c1C	801068496	QIMHSYRTMVBUFI-DEDYPNTBSA-N	418.497	4.914	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3ccc([N+](=O)[O-])cc3C)c2c1	805373706	ZSDXQVXRPLEOOS-UHFFFAOYSA-N	413.437	4.579	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)Nc1nccs1	916151042	QCKDMAQKUHYNSF-LFIBNONCSA-N	417.519	4.662	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(COC(=O)/C(C#N)=C\c2ccc(C)cc2)cs1	916611355	QWSPVDQFGOCWGB-UNOMPAQXSA-N	417.490	4.787	50	20	HJGD	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NNC(=S)Nc1cccc(Cl)c1	918679832	NCAODKOAZCRROF-CQSZACIVSA-N	405.951	4.557	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(N3CCCCC3)CC2)c(C)n1CCC(C)C	918697771	YKJONRYATAMLHI-HAVVHWLPSA-N	410.606	4.535	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNC(=O)c1cccc(Cl)c1)oc1ccccc12	920931618	XVJNFILCMCNLDE-UHFFFAOYSA-N	409.829	4.715	50	20	HJGD	
O=C(NN=Cc1ccc(O)c(Cl)c1)c1cn(-c2ccccc2)nc1-c1ccccc1	921251883	UWXQFRDWZIREGV-UHFFFAOYSA-N	416.868	4.662	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC(Nc3ccccc3Cl)CC2)cc1	1115959344	AZPYOLARXGBPND-SDXDJHTJSA-N	409.917	4.749	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2nc(-c3ccccc3)oc2C(C)C)c(C)c1	1119036051	JKJPQJVJVULWMX-UHFFFAOYSA-N	408.527	4.713	50	20	HJGD	
CC[C@@H](C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccccc1	1788582484	HEDAMAANYGBYBU-RTBURBONSA-N	402.897	4.849	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2C)[nH]n1	1815315588	XFVDGTNCOMLFBB-SJLPKXTDSA-N	420.916	4.571	50	20	HJGD	
O=C(c1cccc2ccccc12)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)Cl)CC1	1827612596	FNZCGXQBTSITMY-RTWAWAEBSA-N	416.924	4.608	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2C)CC1	1830309734	JZOAFRQJXNMCAZ-PMACEKPBSA-N	404.982	4.554	50	20	HJGD	
CCCC(CCC)=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1	7942247	WYVUWTFCRLZWOQ-UHFFFAOYSA-N	415.559	4.790	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccccc1SCc1cccs1	15661879	LVUSVPUJQIYGLV-UHFFFAOYSA-N	407.520	4.597	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cn(-c2ccccc2)nc1-c1ccccc1	110783135	XANIMXAMXIJKHE-UHFFFAOYSA-N	408.383	4.714	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@H]2Cc2ccccc2)c1C	727055721	SVKSMFMINYGJBJ-FDKGTJFRSA-N	419.569	4.843	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1C(N)=O	727327952	PWFLXMBPXAKCOZ-XDHOZWIPSA-N	404.514	4.563	50	20	HJGD	
CCSc1ccc([C@H](C)NC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1	728944528	FLAOTSOWTMEHJY-KBPBESRZSA-N	417.600	4.690	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2C#N)c1)c1ccccc1	731320371	YXSMAHMKYXZZMW-OEBVFIGYSA-N	407.473	4.922	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1	731996924	HLZUIYQLOHGZRR-SFHVURJKSA-N	400.569	4.510	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)COc1cc(C)ccc1C(C)C)c1ccc(Cl)s1	734070329	XUCBRULUKFDXIL-OAHLLOKOSA-N	423.966	4.694	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNc3ncccc3Cl)cc12	734246215	DBWJOKTZBHJROS-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc(Br)c(C)c2)cc1OCC	734254870	MMPUIUKKTNJLEF-UHFFFAOYSA-N	407.308	4.702	50	20	HJGD	
COc1ccc(NC(=S)NNC(=O)Nc2ccc(Cl)cc2Cl)cc1Cl	741503453	OZDYEMNTVCBUAH-UHFFFAOYSA-N	419.721	4.679	50	20	HJGD	
O=C(Cc1ccc(NC(=O)C2CC2)cc1)NNc1c(Cl)cc(Cl)cc1Cl	742466815	ZPFWYRACFWVVNR-UHFFFAOYSA-N	412.704	4.681	50	20	HJGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	743084200	JNHPJDXRHTWLOD-IINYFYTJSA-N	412.861	4.615	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	743310705	CXWJGHNLZCNQTD-PMACEKPBSA-N	413.304	4.640	50	20	HJGD	
CCCc1c(C(=O)NNc2nccc3sccc23)nnn1-c1cccc(C(C)C)c1	743415635	ATPGASYRBXFSQN-UHFFFAOYSA-N	420.542	4.710	50	20	HJGD	
O=C(CCc1nc2ccccc2n1-c1ccccc1)NNc1cccc2cnccc12	748769843	RMRVPYBNNWLHQC-UHFFFAOYSA-N	407.477	4.650	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCC[C@H](C)c2ccccc2)c(C)n1C[C@@H]1CCCO1	749834981	XDGHNZMUMILBJM-BPXFCJCUSA-N	405.542	4.501	50	20	HJGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	750818069	OJTTWBGXNUYLFL-CXUHLZMHSA-N	403.463	4.644	50	20	HJGD	
Cc1nn(C)c2ncc(/C=C(\C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc12	750892361	GYCSBLLFSXJQTF-LDADJPATSA-N	409.449	4.615	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1C	755335420	GPUDDTBZWKXRAH-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1ccccc1SC1CCCC1	755721633	QAKPVSXJPAKOEP-UHFFFAOYSA-N	405.907	4.547	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1Br	758188599	IQYGCMYFZZFWDZ-UHFFFAOYSA-N	420.185	4.505	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cccc(Br)c1F	760505341	PFDGXUFMRDAXFK-UHFFFAOYSA-N	416.088	4.670	50	20	HJGD	
O=C1C[C@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c2ccccc21	760599896	XDIGMOMAYKKCMK-AWEZNQCLSA-N	413.389	4.950	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(Cl)c(F)c2)c1C	762722121	CCYMJFLCLJBNAY-HNIBHBHRSA-N	417.912	4.670	50	20	HJGD	
C[C@@H](OC(=O)[C@@H](Br)C(C)(C)C)c1nc(Cc2ccc(Cl)cc2)no1	766748046	WIHRZGCXMQHDDV-QMTHXVAHSA-N	415.715	4.728	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(F)F)ccc2Cl)c1C	769337674	MSBQKNRIRUCMFA-CXUHLZMHSA-N	407.848	4.888	50	20	HJGD	
Cn1cc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c(-c2cccs2)n1	769568503	ARTUTIMCZIRCCB-UHFFFAOYSA-N	410.499	4.780	50	20	HJGD	
N#Cc1ccccc1OCC(=O)NN=Cc1c(Cl)cccc1Oc1ccccc1	769568512	HXHXMONFHMBJFW-UHFFFAOYSA-N	405.841	4.533	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)c(F)c2)c(C)cc1Br	771691174	IVCPAWSODXZZJC-UHFFFAOYSA-N	416.088	4.724	50	20	HJGD	
COc1cc(/C(C#N)=C/c2cn(-c3ccc(Cl)cc3Cl)nn2)ccc1[N+](=O)[O-]	774560731	NRYABKVCZWVEJL-WUXMJOGZSA-N	416.224	4.555	50	20	HJGD	
CCCCc1nnc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)o1	775096632	SNCSVABHXNHMCS-UHFFFAOYSA-N	407.386	4.870	50	20	HJGD	
CCOc1ccc(C(F)(F)F)cc1NC(=O)NNc1ccc(C(F)(F)F)cn1	775563121	VBLLGLRKEMGLHD-UHFFFAOYSA-N	408.302	4.667	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1c[nH]nc1-c1ccc(Cl)s1	779380114	SZKNCTJIYMXPKB-UHFFFAOYSA-N	419.963	4.546	50	20	HJGD	
COc1cccc(C(=O)c2ccc(C(=O)NNc3cccc4c3CCCC4)cc2)c1	780950096	BZEFVHMNEMVPOP-UHFFFAOYSA-N	400.478	4.562	50	20	HJGD	
O=C(Nc1cccc(Cl)c1Cl)C(=O)NN(c1ccccc1)c1ccccc1	782822184	YEMOGYILBIUKSH-UHFFFAOYSA-N	400.265	4.801	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cn(-c4ccc(F)c(Cl)c4)nn3)c[nH]c2c1	782889286	GHHLWWURBXZVEK-NTUHNPAUSA-N	405.820	4.639	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1	787432074	KQXWUZNQIKTZHQ-IFNMQTAJSA-N	406.844	4.997	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1Cl	788569569	VNMTXHRKDSJJHN-UHFFFAOYSA-N	409.833	4.556	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C(C)C2CCC(F)(F)CC2)c2ccccc2c1=O	788702695	AIFHDKAVGZCSDG-UHFFFAOYSA-N	418.488	4.518	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccnc(O)c1	790287149	CUNPVDOLURMDHE-UHFFFAOYSA-N	411.914	4.887	50	20	HJGD	
O=C(CCc1cnc2ccccc2c1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	798126977	OXRNJQVJSYYHCR-UHFFFAOYSA-N	410.477	4.687	50	20	HJGD	
N#C/C(=C\c1c(F)ccc(Br)c1F)S(=O)(=O)c1ccc(Cl)cc1	799890455	MNBUENXQZFHNEL-YRNVUSSQSA-N	418.646	4.719	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCC(F)(F)C1	800324404	WTALIBGUFUYALM-MRVPVSSYSA-N	415.815	4.502	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C\c3cccc(NC(=O)C(F)(F)F)c3)nc(O)c2c1C	810215162	AAGZIAJJZOXAQF-SDQBBNPISA-N	418.400	4.579	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(-c2ccccc2C(F)(F)F)on1	812525729	LEHQXDAMSDNWME-UHFFFAOYSA-N	401.266	4.535	50	20	HJGD	
C[C@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)[C@H]1OCCc2sccc21	813871113	IKZZAVPRZGSPTA-VXJOIVPMSA-N	404.294	4.523	50	20	HJGD	
CC(CCc1ccc(O[C@H](C)C(=O)O)cc1)=NNC(=O)c1ccc(C(C)(C)C)cc1	814741678	KJRJLYODDDHFNN-QGZVFWFLSA-N	410.514	4.575	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C	883411028	OQCHVWQXTPCOII-ZDLGFXPLSA-N	422.920	4.685	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(C(=O)NCC(F)(F)F)cc1	913500055	HNLCQRJPMWCKSP-CQSZACIVSA-N	406.495	4.631	50	20	HJGD	
C=CCN(Cc1ccccc1F)C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	918171271	WSNXKRKTXSFBNI-XUKJQLKWSA-N	421.516	4.545	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	918685116	FTOVLUKDPFCTGV-PHIGAYBXSA-N	420.353	4.582	50	20	HJGD	
CCCN1CC[C@H](CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	919796704	KESJYMQRQDVTRW-DOMZBBRYSA-N	409.905	4.759	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc2c(C(F)(F)F)cc(O)nc2o1	1116347615	RXMRGUQWPFQADI-UHFFFAOYSA-N	406.147	4.616	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](CC)N(CC)CC)cc2)CCC1	1786447685	NKSFVXBUPKPOOT-VQTJNVASSA-N	422.013	4.648	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CSc3ccccc3)cc2)CCC1	1787774827	NWNXYTJWKDZLAL-LJQANCHMSA-N	416.974	4.930	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)c3ccccc3)CCC2)cc1	1790488057	SCDPSQQWMHMRPX-RTBURBONSA-N	402.897	4.849	50	20	HJGD	
C[Si](C)(C)OCC(=O)NC1(c2ccc(NC(=O)/C=C/C3CCCC3)cc2)CCC1	1790514157	VXTUXETWTSBSDW-NTEUORMPSA-N	414.622	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1820858753	STKRPYYNRUSXDS-BJICUUOASA-N	406.958	4.556	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2)CC1	1824616383	KRWCHTPJVKCMLR-NHCUHLMSSA-N	404.982	4.636	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1	1824618659	LEPXVKMOZFWEGX-MZKRTTBSSA-N	409.014	4.760	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)c1C	7460038	ZLTZESZOQWIBFE-IOVUBPJKSA-N	407.514	4.609	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)Nc1ncc(Cl)cc1Cl	11384736	NVPTWWYZTUKHMA-JQWIXIFHSA-N	423.387	4.973	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(C#N)/C(O)=N/c2nnc(CC(C)C)s2)c1C	24691386	SHTXHYUYRIVRPC-VEJKBTLKSA-N	401.536	4.558	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1	58608601	DMHJMDYSSROJSI-GHRIWEEISA-N	419.868	4.847	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCN(CCCc2ccccc2)CC1	725753405	DPAUZCVVXRUMSJ-OAQYLSRUSA-N	406.661	4.868	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c(C)n1CCC(C)C	727718026	IKVDSXSJFFNSSN-HNLWVNFGSA-N	423.561	4.832	50	20	HJGD	
O=C(NC[C@@H](O)C1CCCCC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	729554274	XWWWFTYLHJNYTI-UKRRQHHQSA-N	410.889	4.969	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2sc3cc(C)ccc3c2Cl)c1	729689034	BYYLEDDYPOBUJQ-UHFFFAOYSA-N	407.923	4.942	50	20	HJGD	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	731223937	SGIMUJBMTZEAOC-CYBMUJFWSA-N	408.329	4.705	50	20	HJGD	
Cn1nc(-c2ccccc2)c2c(NC(=O)CCCC[C@@H]3CCSS3)[nH]nc21	734470732	IPGGRUSEEJPASX-CQSZACIVSA-N	401.561	4.616	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3sc(C)nc3C)cc2)cc1	736427683	BOXAKBNNYLJRMU-UHFFFAOYSA-N	409.511	4.502	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccccc1OCc1ccc(F)cc1	740096492	SYBBRACMPFXADW-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](COCc3ccccc3)C2)c1C	742013730	CVPNNKRDNAZRDZ-GEGYVFIFSA-N	419.569	4.877	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1	742349112	JIKKNFLRKKNGCP-CYVLTUHYSA-N	420.476	4.937	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccncc2)c(C)n1-c1ccc(F)cc1	743723252	QNTRBAULTSWCCI-AQRZYSDFSA-N	402.473	4.755	50	20	HJGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	745888506	OQTWKGCFNFLHLD-DLBZAZTESA-N	404.514	4.671	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1N1CCOC1=O	746350592	JIATWTHLNUIJAA-JAIQZWGSSA-N	420.513	4.572	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	748217710	QQIMCPOVGOJUFS-NEPJUHHUSA-N	403.429	4.907	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1	748670347	RXYFBMJBBURBCL-QGZVFWFLSA-N	401.576	4.608	50	20	HJGD	
CN(Cc1ccccc1)Cc1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1	748710931	KFYLPWMMIBJBPN-UHFFFAOYSA-N	424.888	4.637	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)CCCc1ncc(-c2ccccc2)o1	748751346	USPKZWUFUMLBNH-UHFFFAOYSA-N	414.303	4.879	50	20	HJGD	
CSc1cc(Br)ccc1/C=C(\C#N)C(=O)N(CC(F)(F)F)C1CC1	755705541	PNSVVCNRHJGBKL-IZZDOVSWSA-N	419.266	4.631	50	20	HJGD	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NNC(=O)c1cccc2ccccc12	756071139	PAQIOAQGLKKMFW-HNNXBMFYSA-N	410.543	4.776	50	20	HJGD	
C[C@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)Cc1cccc2ccccc12	756486663	FCDFKKAMPVABAP-MRXNPFEDSA-N	418.522	4.629	50	20	HJGD	
CC(C)CC1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1	760942386	SSDRFVIQSOOLQG-CJLVFECKSA-N	415.541	4.655	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cc(Br)cc4c3OCC4)n2)cc1	764886685	KNEJQMOBXFFRCK-PXNMLYILSA-N	408.255	4.807	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc2c(c1)COC(C)(C)O2	766015235	JFPUMMOMQVSBST-UHFFFAOYSA-N	407.495	4.528	50	20	HJGD	
Cc1ccc(Cl)c(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	766260558	RMJXIDADUXLKJD-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
O=C(O)c1ccc(O)c(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	766569443	GLXNUXDFYRALMU-UHFFFAOYSA-N	419.349	4.549	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	770524184	SZAYGHFWWNNLDA-UHFFFAOYSA-N	406.421	4.552	50	20	HJGD	
C[C@H](Oc1ccccc1NC(=O)C(=O)NNc1cccc(Cl)c1)c1ccccc1	773745224	YZZYPCKPTXFOHX-HNNXBMFYSA-N	409.873	4.562	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)Nc1ccc(Oc2ccc(Cl)cn2)cc1	775646350	NXCZANZGPRUNRH-UHFFFAOYSA-N	406.833	4.619	50	20	HJGD	
Cc1sc(Br)c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c1C	799706567	MIKRSCFHHRJILY-UHFFFAOYSA-N	423.254	4.825	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)[C@@H](F)c1ccc(C(F)(F)F)cc1	801928931	BKJBWRMUUNGPMO-ZDUSSCGKSA-N	409.152	4.761	50	20	HJGD	
O=C(CCN1c2ccccc2Sc2ccccc21)NNC(=O)Nc1ccccc1	801989245	LRMNJOBUJZKUAC-UHFFFAOYSA-N	404.495	4.532	50	20	HJGD	
Cc1noc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n1	806185223	UIOANWNONRCMAS-FZMZJTMJSA-N	420.844	4.966	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(NC(=O)NNc2nccnc2C2CCC2)cc1	806228497	BDSWZKWEXDAQDD-UHFFFAOYSA-N	400.442	4.557	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@@H]1c2ccccc2CC12CCOCC2	812561763	WGNSVWKTYFEWJR-GOSISDBHSA-N	406.313	4.714	50	20	HJGD	
CC(CCc1ccc(O[C@@H](C)C(=O)O)cc1)=NNC(=O)c1ccc(Cl)cc1Cl	814762364	XUAHOUDUUKDHRC-ZDUSSCGKSA-N	423.296	4.584	50	20	HJGD	
Cn1c(NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)nc2ccccc21	816579894	JNSVXVHIDUUABV-UHFFFAOYSA-N	406.873	4.563	50	20	HJGD	
Cc1sc2ncnc(SCC(=O)NNc3cccc(C(F)(F)F)c3)c2c1C	912642763	FNNFMZOFPZONIX-UHFFFAOYSA-N	412.462	4.562	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1cn(-c2ccccc2)nn1	914723055	YOHGMKQFOTYADQ-MRXNPFEDSA-N	412.824	4.739	50	20	HJGD	
O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1ccc(Cl)cc1	915879999	CWYMHNKTESJKOL-UHFFFAOYSA-N	413.836	4.525	50	20	HJGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12	915922964	QPFSGHBGQALLNK-UHFFFAOYSA-N	414.396	4.713	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1	920929788	RFGYNKYJDMSOJX-UHFFFAOYSA-N	403.389	4.849	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1	1786444141	CQJWAWSNYZULRF-SFHVURJKSA-N	424.932	4.718	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)C2	1793679113	MTYGLYYNWIZNFR-KYHPRHEASA-N	408.970	4.545	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C)c2F)n[nH]1	1814582426	FWUJYUSDBXHZMD-WBVHZDCISA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)cc2C)n[nH]1	1820477827	DJIWYEJOCVUWEN-HKUYNNGSSA-N	416.953	4.740	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826366301	SUUWDVZRXYVSNU-YADHBBJMSA-N	419.009	4.646	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)[C@@H]2C[C@H]2C2CC2)C1	1841274211	ZBZQBMPIWLLPPL-LEWJYISDSA-N	423.041	4.986	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2nc(-c3ccccc3)oc2C)cc1	26773200	BZZXXSQOXYTNLO-UHFFFAOYSA-N	408.527	4.624	50	20	HJGD	
Cc1ccc(-n2c(N(C)C)nc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2Cl)cc1	50632070	LQWZOFRVVSSBOR-QINSGFPZSA-N	402.889	4.841	50	20	HJGD	
N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1nc2cc(C(F)(F)F)ccc2s1	210162535	XHZGVPKMQRRHMR-GHXNOFRVSA-N	404.369	4.843	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3scnc3C)c2C)cc1	303143236	DWTSRTQFMQVOHE-ZDLGFXPLSA-N	407.495	4.518	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccc(F)cc3)c2)cc1	727367904	HDVHUCZLIHZZMT-UHFFFAOYSA-N	406.457	4.683	50	20	HJGD	
Cc1cc(C(=O)NNC(=S)Nc2c(Cl)ccc(C)c2Cl)c2ccccc2n1	728443057	PQXIMVJYNKXLOI-UHFFFAOYSA-N	419.337	4.790	50	20	HJGD	
O=C(CCc1nc2ccccc2n1-c1ccccc1)NNc1ccc(F)c(F)c1F	728717413	VILDYLXUEGIOJV-UHFFFAOYSA-N	410.399	4.519	50	20	HJGD	
O=C(NNc1ccc(F)cc1)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1	731183929	JPVXTKUNOCXLMK-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cc3ccccc3nc2O)c(C)n1CC(C)C	733396667	ZOVRCLPTLLEIJM-RGVLZGJSSA-N	403.482	4.665	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1Br)c1ncc(-c2ccccc2)o1	740485774	ITPRZQRBIZUVQA-LLVKDONJSA-N	419.254	4.631	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(Br)cc1Cl)c1ccc(OCC#N)cc1	741770551	KEHUGKQLIFWJGW-UHFFFAOYSA-N	421.682	4.551	50	20	HJGD	
CC[C@H](Cc1ccccc1)N(C)C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	741964877	HUFHZYPBRKTLPB-BMNZLBQTSA-N	419.569	4.671	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1	742939664	ZZZKTZNXJIIZKG-IQGJIOQQSA-N	422.872	4.573	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2ccccn2)c(C)n1-c1ccccc1F	743655906	WNWSXRKJTNBCSN-HJHGFDQJSA-N	402.473	4.755	50	20	HJGD	
COc1ccc(NNC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1	746885259	DSMPHCKRJCWPTM-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1	752055993	BAWRQTKEYFFDEO-AQTBWJFISA-N	412.424	4.598	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@H](CN2CCOCC2)C1	752986524	LHYCJVAYHCNVMZ-CYBMUJFWSA-N	415.428	4.530	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)c1C	753774346	IWQQDOPULWFRHG-XSFVSMFZSA-N	415.497	4.951	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)c2cccnc12)c1ccc(COc2ccccc2)o1	760234330	GIPFXNHGVZTPNK-UHFFFAOYSA-N	405.841	4.824	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1	762363352	CGEOWXDEWDGWTG-UHFFFAOYSA-N	413.871	4.777	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3nccn3C)C2)c(C)n1C1CCCCC1	768137998	FAYDCWFLAXPCBX-AHFVYKFHSA-N	419.573	4.657	50	20	HJGD	
CC(C)(C=NNC(=O)c1ccc(Cl)cc1Cl)[C@@H](C[N+](=O)[O-])c1ccccc1	771099782	ZRKHPJVXALPSGF-INIZCTEOSA-N	408.285	4.796	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cs1)C1CC1	773154463	YQUYMTZODBLESP-SDQBBNPISA-N	423.391	4.606	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cc(C(F)(F)F)ccc1-n1cccn1	775468628	TVERIYLASCUVIY-UHFFFAOYSA-N	412.375	4.588	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cnc3c(c2)COCC3)c(C)n1C1CCCCC1	777266870	VOBNHVCAEGTYJK-ODLFYWEKSA-N	404.514	4.624	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)nn1-c1ccc(Cl)cc1	778393146	YWUIRYVIXXITLH-UHFFFAOYSA-N	424.810	4.532	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Br)c(C)c2)cc(OC)c1C(C)C	781348852	ONLKPDMOOQSSKI-UHFFFAOYSA-N	407.308	4.655	50	20	HJGD	
CC[C@H](C)Oc1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc1	782822055	WJNJJJQCDFHLFT-SFHVURJKSA-N	403.482	4.672	50	20	HJGD	
O=S(=O)(N[C@H]1CCOC2(CCC2)C1)c1ccc(S(F)(F)(F)(F)F)cc1	782981307	CKUUDGMSLNZNNS-NSHDSACASA-N	407.426	4.724	50	20	HJGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1	783043203	PFWIEDHDPNKDSR-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C/c1cn(Cc2ccccc2Cl)nc1-c1ccccc1	786044406	LTCXSVBNRYWJAL-XDHOZWIPSA-N	411.914	4.551	50	20	HJGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	794933264	HOJQOEGDLVKXHN-UKTHLTGXSA-N	408.763	4.691	50	20	HJGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)n1	797617591	GLLHCHBHJWLAGD-UHFFFAOYSA-N	412.902	4.661	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NNC(=O)Nc1ccccc1	801992518	QYSPPDWVLKHDNS-UHFFFAOYSA-N	421.309	4.512	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)cc(F)c2Br)cc1Cl	803103719	XFPZGAQIFRAEAZ-UHFFFAOYSA-N	403.038	4.524	50	20	HJGD	
Cc1cc(Br)c(C(=O)NNc2nc(C(F)(F)F)cs2)cc1Cl	807037556	VVXHWOFBJXRCDI-UHFFFAOYSA-N	414.634	4.643	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Br)c1ccc(O)c(Cl)c1	811644370	XNYVZVORZWTFAE-UHFFFAOYSA-N	421.600	4.591	50	20	HJGD	
CS(=O)(=O)CC1CCC(Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	815610173	DAHJOCNYSSKYBE-QOZQQMKHSA-N	415.930	4.921	50	20	HJGD	
Cc1ccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1	912596599	NOXJSEKTUHHSSG-DENIHFKCSA-N	405.523	4.602	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2cc(C)c(OCc3ccccn3)c(C)c2)c2ccccc2n1	915943141	UIBVGDCHQWEKOL-UHFFFAOYSA-N	424.504	4.898	50	20	HJGD	
CCOc1cc(C=NNC(=O)C(C)C)cc(Br)c1OCc1ccccc1	916327391	AJXFFFKOMZQIBZ-UHFFFAOYSA-N	419.319	4.533	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)c1C	917760891	LYYMKFHQENGKJZ-AEAFQSKTSA-N	420.557	4.674	50	20	HJGD	
Cc1ccsc1CNC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918266043	LXCUXNADEJPJHX-HNNXBMFYSA-N	422.881	4.531	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1	918654135	RYPVUZHDFKZWOI-TVJQZGFISA-N	417.509	4.646	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c(C)c1	920210958	UJLKGANSKPMLNX-CYBMUJFWSA-N	409.477	4.834	50	20	HJGD	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CO[Si](C)(C)C)CCC2)cc1	1785842963	MKMUPEJKPATNDM-UHFFFAOYSA-N	416.638	4.964	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)CCC(F)(F)F)CCC2)cc1	1786011427	PKBNWGOFGJDVFH-UHFFFAOYSA-N	404.860	4.728	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OC)c3)CCC2)cc1	1786446276	CBNWKMFPCCKEFL-HXUWFJFHSA-N	414.933	4.850	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cc2c(s1)CCC2	1788580283	PFYJWBGOFGTHQF-KRWDZBQOSA-N	406.910	4.519	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)C(F)(F)c3ccco3)cc2)CCC1	1791076738	GPHPRWVHXFBRIR-UHFFFAOYSA-N	424.875	4.771	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1824613866	XIYILWZMYAGOLW-RBUKOAKNSA-N	414.993	4.686	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1	5177767	MOUONKIKWCMMQV-AWZALFRUSA-N	414.461	4.716	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OC	5474957	WMZGBSMJSALAQI-OQLLNIDSSA-N	415.287	4.711	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12	11292069	DEGZCNIPWSDEJK-LFIBNONCSA-N	409.367	4.886	50	20	HJGD	
CCCNC(=O)/C(C#N)=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl	302906546	BLYHCUVHXBBQHO-XYOKQWHBSA-N	411.720	4.633	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NNc1cccc(C(F)(F)F)c1	727759135	RONJZKIAYCFVCE-UHFFFAOYSA-N	422.838	4.847	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1c(Cl)cccc1Cl	727793547	PQHHQUVJOORIBO-UHFFFAOYSA-N	424.671	4.685	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C#N)ccc2OC(F)F)c1C	728015178	ZSJZWAUPHOENDB-WOJGMQOQSA-N	412.440	4.924	50	20	HJGD	
CCSc1ccc([C@H](C)NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1	728958705	BFGCYXCLZPTRTG-AWEZNQCLSA-N	417.600	4.834	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](C)C#N)c(C)n1-c1cccc(Cl)c1Cl	732111341	JHSAERRRTSFZCW-WIJRQFRKSA-N	401.297	4.584	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccnc(-c3ccccc3)c2)c1C	732150890	KDGJBWOTJBBNOV-QLTNSANVSA-N	414.509	4.920	50	20	HJGD	
C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCP(=O)(c1ccccc1)c1ccccc1	732209700	NMMOBVWHTRRPHO-XLGIIRLISA-N	419.505	4.851	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ncc(C(C)C)o2)c(C)n1-c1ccc(F)cc1	733412965	YRPYGKFWAHECKX-VCHYOVAHSA-N	407.445	4.995	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ncccc2C(F)(F)F)cc1OCC	740092205	XLEUDVGTJNZNKW-UHFFFAOYSA-N	417.815	4.698	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1C	740944053	MEXTVQJBCSHFNQ-NXIIHZOPSA-N	420.340	4.579	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)c(C)c2)c1C	741620174	SXFSIVZKIZTJDC-IUOVYFEOSA-N	409.530	4.954	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)Nc2cc(OC)ccc2Cl)cc1	741859959	BFKWOWPDJTVVED-UHFFFAOYSA-N	406.939	4.714	50	20	HJGD	
C/C(=C\C(=O)NNc1c(F)cc(F)cc1Br)c1ccccc1Cl	741979935	AFTDQOGXHKNZIT-RMKNXTFCSA-N	401.638	4.927	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2ccc(F)c(F)c2F)c(-c2ccc(F)cc2F)n1	743332083	KGCWUPVKKHQDER-UHFFFAOYSA-N	424.373	4.758	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cc(Cl)ccc2OC2CCCC2)o1	743437362	UVTNBCAFSJYCAA-UHFFFAOYSA-N	417.937	4.860	50	20	HJGD	
O=C(NNC(=O)N[C@H]1CCSc2ccccc21)Nc1ccc(-c2ccccc2)cc1	743527642	WWEMIOAOHJXIHL-FQEVSTJZSA-N	418.522	4.926	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H](c1ccc(Cl)cc1)C1CCC1	743591484	GQYNLBQWRYAQMH-OAQYLSRUSA-N	407.901	4.979	50	20	HJGD	
COC(=O)C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccc(Cl)c1	743795790	QIPOLMZDSDALPJ-CVEARBPZSA-N	401.981	4.775	50	20	HJGD	
CC(C)(C)c1ncc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2Br)s1	744167744	BSLCVJMWYTUSGF-ALCCZGGFSA-N	411.277	4.730	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccccc1	746420174	DEQHIMRPRQUOKD-BEFAXECRSA-N	421.463	4.723	50	20	HJGD	
COc1cc(C(C)=NNC(=O)c2cc(Cl)ccc2O)ccc1SC(F)F	746487983	BMUGVJBLIFFCDU-UHFFFAOYSA-N	400.834	4.523	50	20	HJGD	
Cc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1N1CCOC1=O	746731554	OQIWCROCFRNIPR-UHFFFAOYSA-N	416.481	4.695	50	20	HJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)c1nc(O)c2cc(Br)ccc2n1	747033675	JWVMAORQPAURFY-IZZDOVSWSA-N	418.197	4.763	50	20	HJGD	
Cc1ccccc1C(=O)NNc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1	752034187	IPYDKCHFCJCWQE-UHFFFAOYSA-N	412.493	4.574	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3cccc(F)c3)CC2)c1C	752400935	JKENAWXKJDMDNF-ZMPUUUETSA-N	423.532	4.765	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc(Cl)cc1Cl	754823460	CQLFVSYHIPCGFC-UHFFFAOYSA-N	420.683	4.784	50	20	HJGD	
O=C(NC1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1)C1CC1	762979279	IANBGGOUYIEPGC-UHFFFAOYSA-N	413.412	4.867	50	20	HJGD	
Cc1cccc(-c2cncc(C(=O)NNC(=S)Nc3ccccc3C(C)C)c2)c1	768570338	DUVVJUKQPMPCKB-UHFFFAOYSA-N	404.539	4.812	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	774779380	OMFAIFIHIZZACQ-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
CN(C(=O)c1ccccc1NC(=O)NNc1ccc2ccccc2n1)C1CCCCC1	775540532	LMRCNAYCBBPJCO-UHFFFAOYSA-N	417.513	4.788	50	20	HJGD	
Cc1c(NC(=O)NNc2ccc3ccccc3n2)cccc1C(=O)Nc1ccccc1	775582835	WTYBVEBWNUMNBP-UHFFFAOYSA-N	411.465	4.944	50	20	HJGD	
O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(S(F)(F)(F)(F)F)c1	778018187	RHUZVESZGGLEMU-MGPQQGTHSA-N	419.437	4.580	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	778232590	JXUVZDJZMPUEAL-UHFFFAOYSA-N	424.816	4.715	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	786044736	QKJMAQJALOFBSJ-DHDCSXOGSA-N	409.294	4.545	50	20	HJGD	
C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)CCCC[C@H]1CCSS1	790210713	RIBWKLCGFDUJIK-YJBOKZPZSA-N	408.589	4.877	50	20	HJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	794870362	VECSVZXINXQBNV-YBEGLDIGSA-N	422.268	4.657	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Nc1ccc(F)cc1F	796587523	ITISKMJOWUAJNW-UHFFFAOYSA-N	409.318	4.589	50	20	HJGD	
Cc1cc(C)c(NC(=S)NNC(=O)COc2ccc3ccccc3c2)c(Cl)c1	797134956	RWQNIGUHZANGMF-UHFFFAOYSA-N	413.930	4.507	50	20	HJGD	
O=C(CCCC1CCOCC1)NNc1c(Cl)cc(Br)cc1Cl	798452926	QYLCLLXKDJCBSQ-UHFFFAOYSA-N	410.139	4.796	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)C1(c2ccc(Br)cc2)CCOCC1	799757904	NZMGNVSEBORFQY-UHFFFAOYSA-N	417.347	4.511	50	20	HJGD	
O=C(Cc1ccc(Cl)s1)NNc1c(Br)cccc1Br	801500789	YNEAOXCDPXTTLJ-UHFFFAOYSA-N	424.545	4.612	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1c(F)cccc1Cl	801500895	DFFJGKPDICNWTL-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1ncccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1	806258492	PLWZEGOOIMYPAL-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c(C)c1OC	806554401	SIVOKNJAGVQVPK-CXUHLZMHSA-N	406.404	4.783	50	20	HJGD	
CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	809860299	KVFLMKKAEPHSCH-GFCCVEGCSA-N	410.474	4.743	50	20	HJGD	
Cc1ccc2sc(C(=O)NNc3ccc([N+](=O)[O-])cc3Br)cc2c1	811221305	BWQSFYALZGRCEO-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
CC(CCCCCCC(=O)O)=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	814696462	OHFYLWCWWSCNHR-UHFFFAOYSA-N	418.497	4.828	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNc3cccc(Cl)n3)cc12	817006147	XTODFASFBVBBAM-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C2CC2)[C@@H](C)c2ccccc2)c1C	914479285	BEMJROYSJCPAQH-DENSEHQSSA-N	405.542	4.972	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)c1OC(C)C	915852699	UNZSKSQEISWUCV-PTNGSMBKSA-N	422.872	4.625	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1	915910640	PRQWJPVDQWDPKS-LJQANCHMSA-N	414.292	4.727	50	20	HJGD	
C[C@H](CC1CCCCC1)C(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	1318616907	OFIDBQWERQUNAD-CYBMUJFWSA-N	407.440	4.607	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1C	1322350270	CVGQDURJSWCEHZ-ORTNRGLGSA-N	415.541	4.704	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nc(C)c(C)s3)CCC2)cc1	1786445049	PHJXTDDRGVPTIS-QGZVFWFLSA-N	419.978	4.915	50	20	HJGD	
CCC[C@H](C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)n1cccc1	1788600098	WMFIUMSGCOYYJH-QGZVFWFLSA-N	422.356	4.767	50	20	HJGD	
C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1789585689	ZHSCMUUEPQGWCN-OUKQBFOZSA-N	421.324	4.929	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccccc34)CCC2)cc1	1790489679	IPUNTQAIDLFEME-FQEVSTJZSA-N	423.944	4.862	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccccc2)CCCC1	1792854919	DUQGMAPHNCLEDM-WOZUAGRISA-N	416.993	4.544	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1	1815321740	GEKIDFSQQFDGDC-OFHUKCQUSA-N	406.958	4.556	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)c(C)c2)n[nH]1	1821113943	JGVWCXRUSMDVKN-MAUKXSAKSA-N	420.916	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C(C)C)CCC2)n[nH]1	1823063078	HBKBIEYNUOLSKX-WBVHZDCISA-N	408.974	4.636	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1	1825856622	HZEFUVFWDQEDTL-CABCVRRESA-N	417.402	4.652	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccccc2F)C2CC2)c(C)n1C[C@H]1CCCO1	96946366	JMNIGFSZHBPUBP-QCHPHUCNSA-N	421.516	4.521	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OC)cc1Cl	207871133	CJRSRYLTZPIIQB-GHXNOFRVSA-N	421.678	4.665	50	20	HJGD	
Cc1ccc(NNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)nn1	730064812	OBENQPKXWNVNHA-SFHVURJKSA-N	402.285	4.508	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc2ncccc12	730146468	XJGSRJOFCQJBPA-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2SCCC#N)c1C	730982712	VFJCOBNMBUKIKI-NNIWKIFQSA-N	422.554	4.864	50	20	HJGD	
Cc1ccc(C[C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c(C)c1	731179505	JMLWMFVHPIMJOR-WNLWBNIXSA-N	419.569	4.555	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)N(C)C3CCCCC3)c2)cc1	732715386	SOYDYZGYCUAUCR-HMMYKYKNSA-N	417.509	4.646	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N(C)c2ccccc2)ccc1OCc1cccs1	732804310	HHKVBRNEELDNQD-AQTBWJFISA-N	404.491	4.906	50	20	HJGD	
C[C@@H]1CCC[C@@H](N2CCC(=NNC(=O)c3ccc(COc4ccccc4)o3)CC2)C1	733744822	SESOZLTWBMFGQK-UYAOXDASSA-N	409.530	4.619	50	20	HJGD	
COc1cccc(C[C@]2(C(=O)NNc3cccc(C(F)(F)F)n3)C[C@H]3CC[C@H]2C3)c1	740132470	IBYWXBNHKWXPBO-QYWGDWMGSA-N	419.447	4.601	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(c2cccc(F)c2)C2CCOCC2)c1C	740689887	CSIUFTNJBFELCW-XSFVSMFZSA-N	409.505	4.773	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CCC#N)Cc2cccnc2)c(C)n1C1CCCCC1	741936387	JCETYZCWVOSONS-HZHRSRAPSA-N	415.541	4.855	50	20	HJGD	
CCCN(CC)c1ccc(C(=O)NNc2c(F)cc(F)cc2Br)cc1	741981441	IZKCPLMDDXJUEG-UHFFFAOYSA-N	412.278	4.721	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Cl)nc2)ccc1OCc1ccc(Cl)cc1	743817300	VSPCIFXUMYGVDZ-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1c(-c2ccccc2)nc2ccccn12	744845009	CZMNAQCSLWLNDD-MNDPQUGUSA-N	408.461	4.946	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccccc2)cc1	747695778	HKXYJEROUQNCJH-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NNc3ccc(C#N)cc3)cc12	748117565	JQTSQPJBTFNQHA-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NNc3cccc4c3CCCC4)c12	748586007	SBVJNGUQMCBHIM-UHFFFAOYSA-N	411.509	4.579	50	20	HJGD	
COc1ccc(C2(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)CCCC2)cc1	748630595	YYEBGQAJJFFWRR-UHFFFAOYSA-N	403.404	4.541	50	20	HJGD	
CC[C@@H](C)n1ncc2c(C(=O)NNc3ccc(Br)cc3C)cc(C)nc21	748748568	NOLBLUSYBGJQAD-CYBMUJFWSA-N	416.323	4.539	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)c1C	749152897	IXRPJAFHTLXXPK-XDHOZWIPSA-N	405.477	4.518	50	20	HJGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	749523590	GABSFIDMZJOURW-UHFFFAOYSA-N	424.162	4.686	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c(C)n1-c1ccc(C#N)cc1	754153741	LSJBZNMGPXZAFP-UHFFFAOYSA-N	416.378	4.881	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)N[C@@H](c1cccc(Cl)c1)c1ccccn1	761789766	IOMOJEMNULCCBM-SFHVURJKSA-N	405.260	4.943	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)c1C	763925421	RUNLGRFRXLZGLP-JAIQZWGSSA-N	418.497	4.569	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc([N+](=O)[O-])c2cccnc12	765509143	AOZROFQBDXKZDQ-UHFFFAOYSA-N	411.632	4.860	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H]3CCOC4(CCC4)C3)c2C)cc1	768397346	NJRBYVRULIHRTP-ZPWPBLDLSA-N	403.526	4.527	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2OCc2ccccc2Cl)c1	768709235	YXVVEHFWPHPRQF-UHFFFAOYSA-N	413.264	4.596	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	770469178	DJEWRIUKWFAFMG-UHFFFAOYSA-N	424.892	4.654	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1	771325901	XBVDQIBQXBMPJH-UHFFFAOYSA-N	407.449	4.604	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(Cl)cc(Br)c1	771675556	WQDJFHRRKFNYMT-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CSCc1c(C(=O)NNc2ccc(Br)c(F)c2)oc2ccccc12	771689690	VQEYLULLYOHHKT-UHFFFAOYSA-N	409.280	4.954	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cccnc1Oc1ccc(Br)cc1	771708112	ZXLGGDPYRLEFNT-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)NC1Cc2ccccc2C1	773511153	KGQOOJRQNFIJNB-UHFFFAOYSA-N	406.376	4.566	50	20	HJGD	
CN(C)C1CCN(c2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)CC1	774843335	PAXJWVNQOHLNEK-FQEVSTJZSA-N	407.649	4.870	50	20	HJGD	
O=C(NNc1c(F)cccc1F)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	775535964	FYDIXXHMOZYHPA-UHFFFAOYSA-N	400.360	4.505	50	20	HJGD	
C[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1cccc(N2CCCC2)c1	775549371	LEXRSHTUCGHEAP-JOCHJYFZSA-N	418.521	4.952	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)C1(C)CCN(Cc2ccccc2)CC1	776182459	QIXWJUFDANDQOG-UHFFFAOYSA-N	416.363	4.503	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccccc2-c2nnco2)c1C	776339329	MKGAZCBUOAVQHZ-DEDYPNTBSA-N	424.460	4.965	50	20	HJGD	
Cc1nccn1CCCN(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778009952	SKDJONAYAQUMHL-UHFFFAOYSA-N	419.441	4.560	50	20	HJGD	
O=S(=O)(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(S(F)(F)(F)(F)F)c1	778072199	HOWYIJMEQAUEDL-BXUZGUMPSA-N	407.426	4.580	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1	781818698	GOFIFXPHGQXZPV-UHFFFAOYSA-N	410.758	4.712	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1ncnc2ccsc12	782012032	CNMIUJJPXLYOIL-UHFFFAOYSA-N	420.281	4.718	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N(C[C@@H]1CCOC1)C1CC1	782984873	XYVNJEHUNYTFHG-NSHDSACASA-N	407.426	4.534	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)NCc2ccc(F)c(F)c2)cc1	786051682	CFUCSKUPHOJHLR-UNOMPAQXSA-N	404.416	4.864	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ncccn2)c(C)n1-c1cccc(Cl)c1Cl	787290229	KDWISFUEWPYEGU-GDNBJRDFSA-N	412.280	4.737	50	20	HJGD	
COc1cc(OC)c(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c(OC)c1	794702735	PMZYBSSQBWSFBO-WUXMJOGZSA-N	409.335	4.660	50	20	HJGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	794933262	HOJQOEGDLVKXHN-LCYFTJDESA-N	408.763	4.691	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	797668693	YCSDZIVTQPWYCA-UHFFFAOYSA-N	423.376	4.886	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1ncnc2ccsc12	797939672	IGBZALMBZDCCPV-UHFFFAOYSA-N	420.281	4.718	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3c(F)cccc3Cl)s2)c(F)c1	799987452	DXOTYBDDEJWTSP-UHFFFAOYSA-N	409.845	4.816	50	20	HJGD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	802034884	JOOQFOVLTPUZPG-UHFFFAOYSA-N	411.465	4.519	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(C(F)(F)F)cc1N1CCCC1	802830017	FGXCYCHXLFDHQU-UHFFFAOYSA-N	415.362	4.664	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCOC[C@@H]1[C@@H]1CCCO1	806401286	JGVWZNZRWBADFR-KGLIPLIRSA-N	402.385	4.756	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2sc3cc(F)ccc3c2Cl)cc1C	812722875	WRKBIZFLLKSOBH-UHFFFAOYSA-N	406.866	4.936	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(Br)c3ccccc3c2)cc1Cl	816084695	KBRAMRAEWMEEBO-UHFFFAOYSA-N	400.663	4.884	50	20	HJGD	
CC(C)n1ncc2cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c(Cl)nc21	873871952	VBCIICLVAGIIJN-NTUHNPAUSA-N	400.269	4.865	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)NC1CCN(C2CC2)CC1	915340805	CBKZFFTVHDWTGW-HNNXBMFYSA-N	407.889	4.654	50	20	HJGD	
CC(F)(F)CCC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	915808103	LJPVWOGPVVHNTL-UHFFFAOYSA-N	412.889	4.829	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(C)on2)c1C	917034476	UUHCGHSUDGGANB-MFOYZWKCSA-N	424.888	4.907	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1C	917748030	PUJDIJBOUCWAOJ-BKUYFWCQSA-N	424.508	4.770	50	20	HJGD	
Cc1sc(NS(=O)(=O)c2ccc(CCCl)cc2)nc1-c1ccc(F)cc1	917850374	DQXOICVALFAWEN-UHFFFAOYSA-N	410.923	4.840	50	20	HJGD	
Cc1ccc([C@@H](C)N(C)C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c(C)c1	918002438	JTDUVIBHYKCREZ-GOSISDBHSA-N	421.497	4.523	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNC(=O)c1ccccc1Cl	1323640402	CKPCZKDEDJDRJR-UHFFFAOYSA-N	424.671	4.685	50	20	HJGD	
C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1789583881	QVQUKISLEBDLDZ-HHNLSAEISA-N	404.869	4.660	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1	1815320817	JRAWFDHSXMTUFY-RDJZCZTQSA-N	423.344	4.777	50	20	HJGD	
CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)cc1	1820605218	JGRSXMRVSOSECD-SFHVURJKSA-N	416.953	4.543	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C)CC1	1824617322	ROYGFBAQZZTNAM-NHCUHLMSSA-N	404.982	4.636	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)CC1	1830503716	HWVNGOAVKOBGPK-RTWAWAEBSA-N	422.972	4.775	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(-c3ccccc3C)no2)c1C	5869730	QQXQPKRRQKGBDW-XDHOZWIPSA-N	404.470	4.524	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCc3c(Br)cccc32)cc1	727740704	ISLKBNAQIZZUEX-NLBZTSMMSA-N	411.299	4.558	50	20	HJGD	
Cc1ccccc1[C@@H](NC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1)C1CC1	732892680	FBVNQNRLYOBCIA-QFIPXVFZSA-N	409.530	4.515	50	20	HJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Br)c(OC(F)F)c(OC)c1	741469722	MJWZQCUBGHNYIV-GWHHBTOMSA-N	402.235	4.971	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)c3nc4c(C)ccnc4[nH]3)c2)cc1	741473866	SXJWQAXWLSRRIT-LDADJPATSA-N	409.449	4.591	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)N(CC)CC)cc2)c1C	741598696	RLORMNAWNSRCOL-RCCKNPSSSA-N	407.514	4.510	50	20	HJGD	
O=C(NN=Cc1c(-c2ccccc2)nc2ccccn12)c1cccc(Br)c1	741770182	RAUAIBJIZVONAK-UHFFFAOYSA-N	419.282	4.528	50	20	HJGD	
COc1cc(NC(=O)NNC(=S)Nc2ccc(C(C)C)cc2)c(OC)cc1Cl	741854769	SUJYUHIYSIHRTA-UHFFFAOYSA-N	422.938	4.504	50	20	HJGD	
Cc1csc(C2(NCCP(=O)(c3ccccc3)c3ccccc3)CCCC2)n1	746493093	QINQTHUEGWHNEY-UHFFFAOYSA-N	410.523	4.825	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1occc1COc1ccccc1	748075983	VDVRIPWGHANGSP-UHFFFAOYSA-N	405.223	4.517	50	20	HJGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1ccc(OCC(F)(F)F)cc1	748701890	FSFIHEFYTHRLTP-UHFFFAOYSA-N	419.403	4.749	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCSCC3)c(C)c2)c1C	749820979	PXVXGIUZIAJVFX-QNGOZBTKSA-N	422.598	4.922	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1ccc(F)c(F)c1F	750617499	YCHIESCPECLZDV-UHFFFAOYSA-N	414.008	4.930	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NNc1cccnc1Cl	754477728	FUVSFCZPZRJHPD-UHFFFAOYSA-N	424.719	4.530	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H](N2CCCC2=O)C1	762973410	XETJTSZSPQZUJI-CYBMUJFWSA-N	413.412	4.963	50	20	HJGD	
CCc1ccc(C(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)cc1	768745473	ARLWFDJLGOBGAQ-QPXDRDFASA-N	422.525	4.596	50	20	HJGD	
COc1cc(N[C@@H]2CCCN(C(=O)CCCC[C@@H]3CCSS3)C2)cc(OC)c1	769243812	YSWWERKDMYUNDL-OXQOHEQNSA-N	424.632	4.821	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cccc(OCC(F)(F)F)c1	771010632	AXBWNLTWMXCDER-UHFFFAOYSA-N	423.616	4.801	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(F)cc1C(F)(F)F	771870602	DUTFSTKZWBPTCL-UHFFFAOYSA-N	413.421	4.697	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(N(C)C)cc1	773629900	UEKMEWXIHSOVON-KRWDZBQOSA-N	417.513	4.517	50	20	HJGD	
CCc1c(C(=O)NNc2ncc(Cl)cc2Cl)cnn1-c1cccc(Cl)c1	775276223	FLESDHWJTVACDF-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
Cc1nccn1CCCCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777975069	UOQMRVPWADSQEW-UHFFFAOYSA-N	419.441	4.608	50	20	HJGD	
O=C(NN=Cc1cscc1Br)c1ccc(Br)cc1Cl	794905008	OIFLJSAPUVBXCU-UHFFFAOYSA-N	422.529	4.690	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C	796558548	VGTQSHRRHVLQBO-GOSISDBHSA-N	417.575	4.969	50	20	HJGD	
Cc1nc(-c2ccccc2NC(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)cs1	797127039	SRGYPKUAGXWKRX-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2-c2csc(C)n2)c1C	797341344	GIPPUKDUTCSTDP-UNOMPAQXSA-N	420.538	4.729	50	20	HJGD	
O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NNc1ncccc1C(F)(F)F	806901398	XXGAIUDYPOYPGG-UHFFFAOYSA-N	420.218	4.904	50	20	HJGD	
O=C(NCC1(C(F)(F)F)CC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	807363540	KXPPRXFVNXLLAX-UHFFFAOYSA-N	412.302	4.741	50	20	HJGD	
CC(C)(C)c1cnc(C=NNC(=O)c2ccc(Br)cc2Cl)s1	814837473	WZKBWEWPLFZATJ-UHFFFAOYSA-N	400.729	4.620	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	815845894	WZHDIMZNJSSLTA-LWWSYDQCSA-N	410.408	4.787	50	20	HJGD	
O=C(NNC(=O)c1ccc(OC(F)F)c(F)c1)Nc1ccc(-c2ccccc2)cc1	816595782	AROAYNQDHLDXCD-UHFFFAOYSA-N	415.371	4.561	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1sc2cccc(C)c2c1Cl	871822954	PNEIQHKURHFBLO-UHFFFAOYSA-N	409.294	4.600	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1C	914536480	YTIXNXJGFQJJIT-IMKZUMICSA-N	419.569	4.784	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H](c1ccc(F)cc1)C1CCCC1	916646916	VSDXVSLKGNESNN-FRIJYXMCSA-N	413.537	4.604	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(F)cc2F)c(C)n1C[C@@H]1CCCO1	918952161	GGBUYKDKCOBARE-MNKDURAMSA-N	414.452	4.774	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(CCc3ccc(OC)cc3)o2)c1C	1117213272	BPUASVDLOJNOQO-WBRURWICSA-N	420.513	4.553	50	20	HJGD	
Cc1cccc(OCc2nnc(/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)o2)c1	1322687549	HDNYOQKKOMLUAS-FNUHDPNESA-N	418.497	4.619	50	20	HJGD	
CCN(CC)C1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)CC1	1327154562	ZSZSYYRZILEDMA-XLNRJJMWSA-N	410.606	4.850	50	20	HJGD	
O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NNc1cc(Cl)ccn1	1341909532	JZZRYOCVXXOYDS-UHFFFAOYSA-N	413.717	4.851	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)c(C)n1	1789964362	GQVILGZSUTYILA-UHFFFAOYSA-N	413.949	4.711	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3F)CCC2)cc1	1790488714	ILBJUGRDHNMUMJ-SFHVURJKSA-N	420.887	4.659	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(C)cc3)CC2)C1	1806162377	MEHOHOIVXYYYPA-OAQYLSRUSA-N	419.009	4.566	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)cc(C)cc2C)n[nH]1	1823153391	FQAAYIXDRVVCKF-FUHWJXTLSA-N	416.953	4.658	50	20	HJGD	
CC1=CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)CC1	1828344773	RUJFVESJYBSAOI-WOJBJXKFSA-N	409.014	4.618	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2F)CC1	1830466320	PLIQRNOSVAYNHA-FPOVZHCZSA-N	422.972	4.775	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=S)NC3CCCCC3)c3ccccc3n2)cc1	16188755	YIMNZDDNLDITGQ-UHFFFAOYSA-N	418.566	4.652	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)o1	116139809	ASAYLEWLCNWZHL-UHFFFAOYSA-N	410.861	4.659	50	20	HJGD	
Cn1cnnc1SCc1ccc(C(=O)NN=C2CCCC[C@@H]2c2ccccc2)cc1	725712477	UGUNTELFGVQEGH-HXUWFJFHSA-N	419.554	4.551	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccco3)n[nH]2)c(C)n1C1CCCCC1	725882439	SUXUCELILRTWNB-SFQUDFHCSA-N	404.474	4.534	50	20	HJGD	
O=C(NC[C@@H](O)C1CCCCC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	729554273	XWWWFTYLHJNYTI-HIFRSBDPSA-N	410.889	4.969	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)CCSc1ccc(F)cc1)c1cc2ccccc2s1	730676649	DLBWLAKKSFHPLS-ZDUSSCGKSA-N	417.531	4.614	50	20	HJGD	
CCOc1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1	731478480	KDTQNROSOYVCBT-UHFFFAOYSA-N	403.198	4.624	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccc1	732133200	SPRAIDFQWWOSKA-FHWLQOOXSA-N	419.550	4.687	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C#N)C(=O)N(C)c2ccccc2)cs1	732716732	XOTDMMDMBPJHGB-VBKFSLOCSA-N	420.469	4.537	50	20	HJGD	
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	735477119	LLBMNDQEKGUERD-FUHWJXTLSA-N	422.616	4.647	50	20	HJGD	
CN(C)c1nc(C=NNC(=O)c2cccc3ccccc23)c(Cl)n1-c1ccccc1	741462891	QHYGNCPJVIVITO-UHFFFAOYSA-N	417.900	4.509	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(Br)cc1	743300105	YZKDFPMQKHYGSG-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c3ccncc3)c2C)cc1	743723601	WZPUEOARKRXDGM-CEZZIEKDSA-N	414.509	4.624	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)c1C	744369396	HCTAQORTGMYUHE-OXVOUMBISA-N	419.569	4.761	50	20	HJGD	
Cc1ccc(CNC(=O)C2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)cc1	746866946	QQZYCDQQTOHKIG-HXUWFJFHSA-N	420.644	4.564	50	20	HJGD	
COc1ccc(Cl)cc1NC(=O)CCNC(=O)CCCC[C@@H]1CCSS1	747426737	QOZQXVNRQPCSIP-CQSZACIVSA-N	416.996	4.508	50	20	HJGD	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNc5cccc(C#N)c5)(C4)C2)C3)cc1	748033121	DHHOBAAEIAACNQ-WWVRUBFXSA-N	401.510	4.548	50	20	HJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC	749452560	OZBHKBDLZSSMNG-JVVDOCDTSA-N	405.903	4.864	50	20	HJGD	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NNC(=O)c1ccc2ccccc2c1	756055099	QZPLDWASBVZVEM-OAHLLOKOSA-N	410.543	4.776	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3cccc(C(F)(F)F)n3)c(C(C)(C)C)n2)cc1	759093916	HXJHLSSXDXAPTA-UHFFFAOYSA-N	417.435	4.649	50	20	HJGD	
C[S@@](=O)Cc1ccccc1NC(=O)NNc1c(Cl)cc(Cl)cc1Cl	762915607	HHMUNYLALXSPPF-XMMPIXPASA-N	406.722	4.674	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(OC(F)F)cc2)s1	768245977	DMRJVJNFLVXDIC-UHFFFAOYSA-N	405.382	4.682	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	768984987	ZRHHQGQUDWEBPZ-CQSZACIVSA-N	407.314	4.747	50	20	HJGD	
CCOC(=O)NNC(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C	770040602	PCPFAFRDBOLMRB-UHFFFAOYSA-N	413.453	4.514	50	20	HJGD	
O=C(NC[C@H](O)c1ccc(F)cc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	770128135	GEXLRVJYJUXSTJ-DZGCQCFKSA-N	422.831	4.900	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNc2ccnc(Br)c2)cc1	771116822	WLUGZUKQEZXTPB-GOSISDBHSA-N	422.286	4.648	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1C(F)(F)F)C(=O)Nc1nc(-c2ccncc2)cs1	771836271	CAMXMCFFQZWTGP-QPEQYQDCSA-N	418.375	4.909	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)c1cc(F)cc(F)c1	772176573	NWCCDZWMSKKIHY-RQYCBZRCSA-N	403.812	4.966	50	20	HJGD	
C[C@H](COc1ccccc1)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772947901	WTHYVVFLWOTPOG-GFCCVEGCSA-N	424.391	4.866	50	20	HJGD	
N#Cc1ccccc1OCc1cccc(C(=O)NNc2ncc(Cl)cc2Cl)c1	775275927	NGLGKEJSYDOLSA-UHFFFAOYSA-N	413.264	4.596	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)C(=O)c1ccc(Cl)cc1	777425808	KUCDIYGMBUIRMH-LLVKDONJSA-N	409.795	4.583	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C	777483017	ZQUCEASCPRCNTE-KRWDZBQOSA-N	412.493	4.844	50	20	HJGD	
COC(=O)c1ccsc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777678208	QFBTYJOOWPIZFZ-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
COCCN(Cc1ccco1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777875548	NKXRWHZMZBBKQD-UHFFFAOYSA-N	421.409	4.774	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1c(Cl)ccc2cccnc12	781123501	DEEXSGYZLPWIFH-UHFFFAOYSA-N	406.898	4.705	50	20	HJGD	
CN(C)c1cccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782980504	VSIPAGAHPSJQBF-UHFFFAOYSA-N	416.437	4.889	50	20	HJGD	
CC(C)C[C@@H](CCO)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981452	PONIBQSMQKMBLV-GFCCVEGCSA-N	411.458	4.667	50	20	HJGD	
COc1cc(NNC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)ccc1Cl	788940076	GRVVPBVJUWHVFC-UHFFFAOYSA-N	416.840	4.501	50	20	HJGD	
CSSCCNC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C	791100444	QRCKRGCVKCCDHD-UHFFFAOYSA-N	404.561	4.630	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCOc2ccc(Br)cc2C1	802259785	ZQEZFYWHPNJRLU-OAHLLOKOSA-N	416.406	4.884	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	805384923	UEXDKAINYRBMHL-JKSUJKDBSA-N	408.483	4.706	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(NC(=O)NNc2nccnc2C2CCC2)cc1F	806314913	GOESKPJRGUJRCL-UHFFFAOYSA-N	418.432	4.696	50	20	HJGD	
O=[S@](Cc1cccc(NCc2ccc(OCCCCl)cc2)c1)C1CCOCC1	811471464	RHEDHTADQOHXAB-MUUNZHRXSA-N	421.990	4.734	50	20	HJGD	
O=C(NN=Cc1cscc1C(F)(F)F)c1ccc(Br)cc1Cl	811642149	ZBLQNXVETLQZIQ-UHFFFAOYSA-N	411.630	4.947	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc2ccccc2n1	812370705	RPHULKQOLYLCDH-UHFFFAOYSA-N	402.435	4.635	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1oc2ccccc2c1COc1ccccc1	816339011	IJMWVXSZPVPLQY-UHFFFAOYSA-N	406.413	4.916	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c(C)n1CC(C)C	827772782	VPVFACNOPDJIPF-NDENLUEZSA-N	404.514	4.655	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3sccc3C#N)c2C)cc1	908107533	SCSGBRWAJHMQIF-UNOMPAQXSA-N	416.506	4.972	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)c(C)c1	917863994	BUZOZIXZBRZLQA-LZAZYHHXSA-N	409.530	4.955	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(OC(F)F)cc2)c1C	918505746	XUKHMTUSOYBJAD-HNIBHBHRSA-N	418.440	4.564	50	20	HJGD	
COc1cc(OC)cc(Oc2ccc(C=NNC(=O)c3ccccc3Cl)cc2)c1	1251280048	LWSUSHGQSOCXFS-UHFFFAOYSA-N	410.857	4.913	50	20	HJGD	
CSc1cc(C(=O)NNc2cncc(Br)c2)c(Cl)cc1Cl	1319527436	RPFYKYKRCHOLPD-UHFFFAOYSA-N	407.120	4.630	50	20	HJGD	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCBr)CCC2)cc1	1786103817	FNFHGNZONDUIFA-UHFFFAOYSA-N	419.363	4.674	50	20	HJGD	
CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Br)CCC3)cc2)CC1	1789115503	UNYMOFLTINBFHP-YOEHRIQHSA-N	423.326	4.557	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4c3)CCC2)cc1	1790486608	FNTXQJYDPOAGBM-NRFANRHFSA-N	421.928	5.000	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)c1C	211235908	IVEOZBHZKFNEKH-MTJSOVHGSA-N	407.514	4.529	50	20	HJGD	
CCN(C(=O)NNC(=O)CCCc1ccccc1)[C@H](C)c1cccc(C(F)(F)F)c1	727845785	YKUPSJBVAAQSSE-MRXNPFEDSA-N	421.463	4.852	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nn(-c3ccccc3)cc2C)c1C	730201500	PBJWOTBXOAMUQW-KGENOOAVSA-N	401.514	4.945	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl	730493093	ASLRPUHYFIKWSO-GHMZBOCLSA-N	418.107	4.865	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1ccccc1	731997723	SZNNRRXEOJTKHL-AZGFIHASSA-N	408.498	4.769	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1	733168884	PKQUEARVVYSKDH-RCCKNPSSSA-N	422.488	4.648	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccccc2N(C)c2ccccc2)c1C	734259993	QOUZARXPGQXIOY-UHFFFAOYSA-N	424.508	4.680	50	20	HJGD	
Cc1cccc([C@@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1	737339244	KPLZLZKQSAHMMY-QTCOBDOFSA-N	410.477	4.984	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1-c1ccc(Cl)cc1	740050064	YSWIRNKMGOSTAV-OAHLLOKOSA-N	418.884	4.584	50	20	HJGD	
COc1cccc(-c2noc([C@@H](C)NC(=O)CCCC[C@H]3CCSS3)n2)c1	742925611	MGZRDUUFEKHSHZ-CJNGLKHVSA-N	407.561	4.637	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccccc3)ns2)c1C	744368278	YQURQIJOPAWWEM-MBTVCVBTSA-N	420.538	4.982	50	20	HJGD	
O=C(NCC1(CCO)CCCC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	746024281	JYADASNBQHLJAN-AWEZNQCLSA-N	410.889	4.970	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCn2cnc3ccccc32)c(C)n1C1CCCCC1	746525971	YQOVGVHNQRRVFD-RCCKNPSSSA-N	415.541	4.683	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)CCc1nc2cc(Br)ccc2s1	748563489	ZMWAIWFKXJENSU-UHFFFAOYSA-N	408.296	4.582	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1sc(-c2ccccc2)nc1C	748744377	QPKHPMMZQGRNGJ-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	752993666	AKNLQOJVWVGQPW-MSOLQXFVSA-N	414.637	4.750	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn(-c2ccccc2C)c1C	753178974	XJVLSDXIHMCEDR-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
COCCc1nc2cc(NC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)ccc2o1	753327848	UBHBZUUAZAZBPZ-ODLFYWEKSA-N	420.513	4.637	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1NC(=O)c1ccco1	754147581	BBMUOWUZFWALSZ-UHFFFAOYSA-N	421.350	4.755	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)c(F)c2)cc1	757920934	TZPHWHUEZDHZQK-ZROIWOOFSA-N	408.351	4.711	50	20	HJGD	
Cc1nnc(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)n1[C@H]1CCC[C@@H](C)C1	758168383	FWQCMMZCPLFJQC-FMKPAKJESA-N	422.558	4.660	50	20	HJGD	
Cc1nc(COc2cccc(C(=O)NNc3ccc(OC(F)(F)F)cc3)c2)cs1	761598749	AFFUBWBAPQYSFP-UHFFFAOYSA-N	423.416	4.686	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCCC[C@H]3C)s2)cc1	764762710	MMABEXKIEJKBKL-CQSZACIVSA-N	420.629	4.913	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@]3(C2)OCc2ccccc23)c(C)n1CCC(C)C	770036876	DKOIFZKLDIGVKP-SCRHHBKZSA-N	417.553	4.716	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	774130243	KHIDRPFGRAPBCW-FLIBITNWSA-N	400.308	4.638	50	20	HJGD	
COc1ccccc1-c1cccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)c1	775615722	RNMFQDSWJAVHHW-UHFFFAOYSA-N	402.376	4.925	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1Cl	782108701	USNQMCXPYHVEGD-DAXSKMNVSA-N	423.609	4.945	50	20	HJGD	
CCCc1c(C(=O)NNc2cccc(C(F)(F)F)c2)cnn1-c1ccc(F)cc1	782752558	YDARFUYWBUDURQ-UHFFFAOYSA-N	406.383	4.740	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N(CCO)c1cccc(F)c1	782915716	MYADPLWPPJZRHQ-UHFFFAOYSA-N	421.384	4.671	50	20	HJGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	784676022	PUAVQKAVRKCPRG-UHFFFAOYSA-N	420.138	4.773	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNc2ccccc2)c(C(F)(F)F)c1	784767184	HNNGWQIYDKOJHC-GFCCVEGCSA-N	411.449	4.678	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)c(C)cc2OC(F)F)cc1	787151454	MVLUTBHRVRPNDT-GZQZNAIASA-N	400.425	4.698	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1	808030116	UGKLSOHNNUHFND-HNNXBMFYSA-N	408.429	4.509	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2cc(Cl)ccn2)cs1	810942578	PVRJDKDNGUPKEK-UHFFFAOYSA-N	404.898	4.727	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1	813047269	SUIROZNELIJFGW-UHFFFAOYSA-N	408.502	4.639	50	20	HJGD	
C[C@H]1C(=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC[C@@H]1CC(=O)O	814726784	CADOWAOXZCNRGC-RHSMWYFYSA-N	414.889	4.526	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc3c(s2)CN(C)CC3)c(C)n1C1CCCCC1	911592344	PXWPPEUOXNXPBF-PDGQHHTCSA-N	423.586	4.600	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc(C(C)C)cc2)c(C)n1C[C@H]1CCCO1	914483463	YMMCCRLVHTVITJ-XKKBFUJGSA-N	405.542	4.631	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	915144821	CEAYHZWXOQJIFH-UHFFFAOYSA-N	415.833	4.843	50	20	HJGD	
Cc1ccc(NNC(=O)c2cccnc2Oc2ccc(F)cc2Br)cc1	916162341	KVZQINIKSDIEBH-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)s1	917029355	DJZNRUXJMCLQTM-UHFFFAOYSA-N	403.822	4.880	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cnn(-c2ccc(Br)cc2)c1	917145778	YCDFZBAEIMRPMK-YVLHZVERSA-N	421.298	4.797	50	20	HJGD	
COc1cccc(C[C@H]2CCCN2CCP(=O)(c2ccccc2)c2ccccc2)c1	917206155	UXGRYHNDGGCHAH-HSZRJFAPSA-N	419.505	4.716	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(C)n1CC(C)C	917844045	OIXBAQFNTSEJQI-QDLIXAJISA-N	423.532	4.844	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)NNc2ccc(F)cc2)ccc1OCc1ccccc1	918232657	LXNDLJJKSOTQIK-MRXNPFEDSA-N	409.461	4.801	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cc(Br)c4c(c3)OCCO4)c[nH]c2c1	920068094	IIDLCTCPJQGBTK-AUWJEWJLSA-N	423.266	4.800	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1	1319371649	SHQMEKUCLGEPOI-UHFFFAOYSA-N	403.873	4.708	50	20	HJGD	
CCOc1ccc(CN(C)CCP(=O)(c2ccccc2)c2ccccc2)cc1OC	1319891104	XFCXGQVUZZUCBS-UHFFFAOYSA-N	423.493	4.540	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1	1786443067	VPQOJDUXSICWCW-RHSMWYFYSA-N	412.908	4.963	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1c(F)cccc1F	1790221988	MVSRUHTUNRHUQX-UHFFFAOYSA-N	413.251	4.516	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)cc2C)n[nH]1	1820477834	DJIWYEJOCVUWEN-IEBWSBKVSA-N	416.953	4.740	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)[nH]n1	1820862205	VSTVSPKMLPXOQT-NBOOPKSLSA-N	408.974	4.636	50	20	HJGD	
Cc1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c1	1824010067	FLEPUYKZCVLAQQ-QGZVFWFLSA-N	411.011	4.555	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1	1824613686	RVOQIOGEZUMKIN-ACRUOGEOSA-N	409.014	4.760	50	20	HJGD	
C[C@@H]1C[C@@]1(C)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845125025	HLTJAZKDWADZFP-DENIHFKCSA-N	411.030	4.986	50	20	HJGD	
Cc1ccc2nc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)sc2c1	14739719	VTDFQDZTOJJLGO-MVDPLZLPSA-N	420.538	4.748	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@H](C)Sc3ccccc32)c1C	24872188	XTDOETUPVONPDG-HDAKKWKLSA-N	409.555	4.576	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1OCCCC#N	64367528	GATCQPPMYICNOW-PDGQHHTCSA-N	402.479	4.960	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)c1C	205582985	GPNQRHVICJPIQE-JAIQZWGSSA-N	418.493	4.889	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1	219922722	QWNMMJWRMDTNAN-UHVIJJLKSA-N	412.873	4.525	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccncc3)ccc2C)c1C	726153456	YEXVFXLTDNMXPO-UCQKPKSFSA-N	414.509	4.667	50	20	HJGD	
COc1ccc(NC(=S)NNC(=O)c2cc3c(s2)CCCCCC3)cc1Cl	726898088	XUNTXAGDWXFQJM-UHFFFAOYSA-N	423.991	4.701	50	20	HJGD	
O=C(NC[C@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1)Nc1ccccc1	728694392	VOBBPYWWXGKLMA-MOPGFXCFSA-N	421.632	4.903	50	20	HJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1cccc2ncccc12	730145693	KUCIPACQZVEQGA-UHFFFAOYSA-N	417.900	4.961	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)Cc3ccccc3F)s2)cc1	731319675	FFHBKGJIBAMQSR-UHFFFAOYSA-N	402.882	4.680	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c(C)n1C[C@@H]1CCCO1	734355482	NOGNFMDAYXEFGH-VPMXGNKMSA-N	417.553	4.596	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2OCC2CC2)c1C	740808802	MOYWPLBQDWYLSZ-WCEBZYJUSA-N	407.514	4.647	50	20	HJGD	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NNC(=O)c1cccc2ccccc12	743630218	PTIVCPAYUMYBHV-AWEZNQCLSA-N	415.415	4.906	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)ccc1OCc1cscn1	747588430	HPKAQLPCPJDIAO-UHFFFAOYSA-N	423.416	4.506	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3cccc(F)c3)c2)cc1	748101970	VDSBSKHEBSJQHW-UHFFFAOYSA-N	406.457	4.683	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(C)n(Cc3ccccc3)c2C)ccc1Br	748610015	HPXHGHGKMNTUPO-UHFFFAOYSA-N	412.331	4.981	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	748750334	FVDSHUPTQHMMSY-GFCCVEGCSA-N	419.348	4.571	50	20	HJGD	
Cc1ccc(NNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1	749201117	WVDVNLVXAFDLCA-ILBGXUMGSA-N	413.521	4.618	50	20	HJGD	
Cc1nnc(SCc2c(C(=O)NNc3ccc(C#N)cc3)oc3ccccc23)s1	749267839	PPARAVARJJAJDS-UHFFFAOYSA-N	421.507	4.514	50	20	HJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	749463618	OFTMJXPYXPPHAO-XKBFBRDOSA-N	408.405	4.814	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc12	750303102	XPYGLZMLOJEWKS-ZDUSSCGKSA-N	414.918	4.530	50	20	HJGD	
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752972448	BQCQAZFBLRYVTG-SNVBAGLBSA-N	410.430	4.631	50	20	HJGD	
O=C(Cc1c[nH]c2cccc(Br)c12)NNc1ccccc1C(F)(F)F	753916899	AZYHCMDSFQWEOI-UHFFFAOYSA-N	412.209	4.635	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1C(F)(F)F	754148329	UZFVKUKLMUNERX-UHFFFAOYSA-N	412.309	4.572	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	755564417	HIXAJCQGQDEGRW-UHFFFAOYSA-N	416.459	4.542	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1ccc(CC(F)(F)F)cc1	756736410	GFOXAOIOKSLMPT-UHFFFAOYSA-N	406.191	4.565	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cc3ccccc3o2)c(C)n1C[C@@H]1CCCO1	758683949	INNDLMDVFWBMCU-IQKNENRKSA-N	404.466	4.681	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)/C(=C/c1ccco1)NC(=O)c1ccccc1	763614209	ADQSYKGKBMNCGG-ATVHPVEESA-N	416.264	4.501	50	20	HJGD	
O=C(NN=Cc1ncccc1C(F)(F)F)c1cc(-c2ccco2)nc2ccccc12	765558370	CJDHCPHPLLSFSK-UHFFFAOYSA-N	410.355	4.673	50	20	HJGD	
Cc1sc2nc(CC(=O)NN=C3CCC(C)(c4ccccc4)CC3)nc(O)c2c1C	766688534	VZEACKYITVEUJW-UHFFFAOYSA-N	422.554	4.560	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3ccnc4cc(Cl)ccc34)cs2)cc1	767227040	NEDPUENXNYOMOU-UHFFFAOYSA-N	410.886	4.777	50	20	HJGD	
O=C(CCCc1nnc(-c2ccccc2)o1)NNc1c(Cl)cc(F)cc1Cl	767407731	YQWIJOXGOGMRKX-UHFFFAOYSA-N	409.248	4.649	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	770197117	KJNOMMCECAWNRU-UHFFFAOYSA-N	414.824	4.756	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1	773155165	RNBWGNXHOWPILT-RIYZIHGNSA-N	410.792	4.578	50	20	HJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ccc(C(F)(F)F)cn3)c2c1	775265845	VLXKXECEQPVDTC-UHFFFAOYSA-N	400.404	4.900	50	20	HJGD	
C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NNc2cccc(Cl)c2)C1	775482390	XFNYVTQMTIZDNN-GASCZTMLSA-N	400.910	4.607	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccccc2OC(F)(F)F)cnn1-c1ccccc1	779201558	RKXIWOWKIHXCCW-UHFFFAOYSA-N	404.392	4.651	50	20	HJGD	
O=C(NNC(=O)N[C@H](CC1CCC1)c1ccccc1)Nc1ccc(OC(F)F)cc1	779382426	SMACLWSVZOKHRP-GOSISDBHSA-N	418.444	4.555	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2CCN(C)C)c(C)n1CCC(C)C	782939274	ORCGWEZGNIHHKK-KQWNVCNZSA-N	406.574	4.801	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H]1CN1CCCC1	782978343	GRZFZKNCBAYYDF-ZDUSSCGKSA-N	420.469	4.593	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	785336474	YBKRMEBKVBTVPM-WJDWOHSUSA-N	409.848	4.933	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1cnc2ccccc2n1	790228645	WPLNMMYSLOCRJK-XMHGGMMESA-N	400.445	4.942	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(-c2cc(F)c(F)c(F)c2)cc1	790585078	AYQYERKAEQPYMZ-UHFFFAOYSA-N	405.307	4.575	50	20	HJGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	799892570	QKGQLKZNENMHSK-RUDMXATFSA-N	402.821	4.658	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2	803429858	LTLHGDCZDILNLC-KEWLPNKHSA-N	421.928	4.674	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1OCc1ccccc1Cl	803430189	APMQXRZNFIWHSA-UHFFFAOYSA-N	419.868	4.517	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1cccc(NC(=O)c2ccncc2)c1	813043436	FRJWKZZJYDWYRX-UHFFFAOYSA-N	417.513	4.592	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)c(C(=O)OC)c2F)c1C	813306551	ZTNWYZZGZWVTSA-LFIBNONCSA-N	415.440	4.516	50	20	HJGD	
Cc1nsc(NC2CC2)c1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016023	BULNGDOWDGIRKQ-UHFFFAOYSA-N	424.370	4.820	50	20	HJGD	
CCCN(C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C)[C@@H]1CCc2ccccc21	914512169	JXPGNRBESSLALU-FVIVVMBBSA-N	405.542	4.584	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1C	914768156	UEIUIRNCEOMFAU-SMLKNPDNSA-N	418.497	4.877	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@H](c1ccccc1)c1ccc(Cl)cc1	915913812	CBZKAZYBYKDYNP-OAQYLSRUSA-N	418.884	4.555	50	20	HJGD	
O=C(C[n+]1ccccc1)NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1	916271660	XVNCQCGOKUVSKD-UHFFFAOYSA-O	407.497	4.594	50	20	HJGD	
O=C(NCCCNc1ccccn1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	916676621	CTYNDLLLZAZVNY-HNNXBMFYSA-N	418.872	4.925	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc(C)c1OCc1ccccn1	1321634277	OENOQFVPXOTKRP-UYRXBGFRSA-N	407.477	4.867	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cccc(Cl)c1	1790265187	GWELOVGVLMPSAA-UHFFFAOYSA-N	411.716	4.891	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1ccc(Cl)cc1	1790295759	GFCXPCISFCDXRT-UHFFFAOYSA-N	411.716	4.891	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)CCC1)C(Cl)Cl	1791531588	HJSAJDFYTYSMAU-ROUUACIJSA-N	417.336	4.728	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1	1792037440	GCTKNKISKYZUJV-UHFFFAOYSA-N	402.966	4.966	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C2	1793685233	XVDFCLDIKBJNJJ-XNTOXWQXSA-N	422.972	4.611	50	20	HJGD	
N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl	1800010925	LZYOUBLMOLXXQH-ACDBMABISA-N	410.002	4.678	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1	6337670	INLIIBCGZJTARW-RCCKNPSSSA-N	411.461	4.770	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC	211434011	CHOZQXTVQREWQF-UVTDQMKNSA-N	404.438	4.954	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](N3CCCCC3)C2)c(C)n1C1CCCCC1	730795195	VHROHUMYUBNMIE-FOOJEKODSA-N	408.590	4.604	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C)c1ccccc1	731999980	BPWSOGRJNFKQRF-IBGZPJMESA-N	424.932	4.604	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2nccs2)c(C)n1-c1cccc(Cl)c1	733257424	QENDTOYKCHIGNB-PDGQHHTCSA-N	424.957	4.860	50	20	HJGD	
C[C@@](CO)(NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccccc1	735863844	LNTPFGRWZDDHKX-RDJZCZTQSA-N	418.868	4.935	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cc(-c2ccccc2)n(-c2ccccc2)n1	740141644	MKBGGUMTLJGVAV-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1c(Cl)cccc1Cl	741922873	KLTGLANLVXUMBR-NEPJUHHUSA-N	418.107	4.865	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1	741973517	HKVNVCIJIINPIV-UHFFFAOYSA-N	419.859	4.739	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCC(C)(C)c2ccc(Cl)cc2)c(Cl)c1	743543665	HMQMMFPKSJCCGA-UHFFFAOYSA-N	409.317	4.615	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC3(CCOCC3)C2)c(C)n1-c1ccc(Cl)cc1	743784283	WJCFSVDEPKWTCR-ZHZULCJRSA-N	423.944	4.684	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](C)c1ccccc1C(F)(F)F	743821349	NDXMMTPDZGIFIA-CYBMUJFWSA-N	409.477	4.698	50	20	HJGD	
C=CCc1cc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc(OC)c1O	747063649	PRIQNOXEGRRQMP-GDNBJRDFSA-N	419.506	4.783	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)cc1OCCCC#N	747361222	HUQCZLFKUQWXKP-UYRXBGFRSA-N	400.438	4.800	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c1C	748186974	JDPVZRGYIVKRBO-JCMHNJIXSA-N	418.541	4.605	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1	748570805	NGIWRBZVMVGZJB-UHFFFAOYSA-N	407.232	4.780	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)o1	752524598	KIDVUUFDTAYGFM-UHFFFAOYSA-N	402.781	4.550	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(Cl)c2ccccc2n1C	753175948	PJDNJJQFMFQNSM-UHFFFAOYSA-N	406.711	4.914	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3ccc(C#N)c(Cl)c3)c2c1	753322498	KMYVRRYQKXPXNH-UHFFFAOYSA-N	413.868	4.887	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2SC)c1C	756996692	KTHAGJOUDXTHHU-QREGZJMFSA-N	411.571	4.566	50	20	HJGD	
O=C(NN=Cc1cnc(C2CC2)s1)c1cn(-c2ccccc2)nc1-c1ccccc1	761793008	JFCWHRSNNCFNMM-UHFFFAOYSA-N	413.506	4.637	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	767310732	BRPNLYNPUNANNL-CQSZACIVSA-N	413.699	4.933	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1ccccc1SCc1ccccc1	770822062	PXEQCHTXEZJTEG-UHFFFAOYSA-N	409.486	4.508	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1	771692921	NHNJXUAZVGLPDJ-UHFFFAOYSA-N	400.457	4.803	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(Br)cc2)c1)C(=O)c1cc(F)cc(F)c1	772176167	MEGYHILEUATQJC-RZNTYIFUSA-N	414.209	4.703	50	20	HJGD	
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NNc1c(Cl)cccc1Cl	775581547	GNNAKGMCJHBLJX-UHFFFAOYSA-N	407.301	4.686	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccc(OCC2CCOCC2)cc1	775637444	WEBUTWRGNPTMGJ-UHFFFAOYSA-N	410.301	4.947	50	20	HJGD	
COc1ccc(NNC(=O)c2cccc(F)c2Sc2ccccc2)c([N+](=O)[O-])c1	781351251	OTPKBUMRFPHMPZ-UHFFFAOYSA-N	413.430	4.651	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)c1	782755449	YSSQQNPABGGSFY-UHFFFAOYSA-N	409.339	4.573	50	20	HJGD	
COc1cc(NNC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)ccc1Cl	788611226	OZAHJNBWZMRIPQ-UHFFFAOYSA-N	424.860	4.983	50	20	HJGD	
CC(C)n1nc(-c2ccco2)cc1NC(=O)NNc1ccc(F)cc1Br	788835746	HCUNIGDHFZYVRO-UHFFFAOYSA-N	422.258	4.774	50	20	HJGD	
COc1cc(NNC(=O)c2cc(C)nc3ccc(Br)cc23)ccc1Cl	790176271	WCGNWTVZTQNNDR-UHFFFAOYSA-N	420.694	4.725	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(Cl)c(OC)c1	793980438	HNCMVQVTQWAYTC-UHFFFAOYSA-N	406.269	4.976	50	20	HJGD	
Cc1nc(/C(C#N)=C\c2c(F)ccc(I)c2F)sc1C	794942019	FWVQSAGHHYWQPK-UITAMQMPSA-N	402.207	4.707	50	20	HJGD	
C[C@@H]1CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1	795072773	GYAAFISXMNJJPK-OCGRGXNNSA-N	417.387	4.940	50	20	HJGD	
Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)NNc3cccc(C(F)(F)F)c3)c2)o1	797019636	HQPLKQAHPYWLBZ-UHFFFAOYSA-N	417.387	4.664	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1cc(-c2cncc(F)c2)ccc1C)c1ccccc1	801891314	IEYHXNRFNDRAED-FQEVSTJZSA-N	406.461	4.543	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)cc1C	812723674	PYKXXCPMSWFOHD-XFKLWTPLSA-N	424.463	4.764	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1csc(-c2ccc(Br)s2)n1	819842738	DGNNNYVUSZWZBQ-UHFFFAOYSA-N	400.150	4.510	50	20	HJGD	
Cc1noc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	913356936	VHYKRTORSFZJMT-VEJKBTLKSA-N	410.861	4.650	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	915842805	UOXUJXIZAIHXIH-FOWTUZBSSA-N	410.861	4.784	50	20	HJGD	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)c1ccsc1	915989955	TWLPKCHAEACTDR-XCVCLJGOSA-N	413.090	4.769	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2cccc(Br)c2)cn1)c1ccccc1	916981233	GOTUYXUOPLZFCI-AWEZNQCLSA-N	412.287	4.741	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1ccc(Cl)cc1[N+](=O)[O-]	917213876	YKRPXKGFNSSNQR-UHFFFAOYSA-N	423.281	4.711	50	20	HJGD	
COc1ccccc1/C=C(/C(=O)NNc1cncc(Br)c1)c1ccccc1	1319528881	LBJSEOQUZRBVAC-YBFXNURJSA-N	424.298	4.537	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)NNC(=O)c3ccccc3Cl)ccc2C)c1	1320425103	VBAFMJBPEKVRBY-UHFFFAOYSA-N	410.861	4.611	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1	1787618448	JIGFILMSGGHUNY-HXUWFJFHSA-N	411.373	4.937	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](OC)c3ccccc3)CCC2)cc1	1790485957	OZMAFQKUGAIAGF-WOJBJXKFSA-N	414.933	4.526	50	20	HJGD	
CC[C@@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)CCl)c1ccccc1	1792881225	WNECOWOURNFVTM-RQXATKFSSA-N	419.009	4.720	50	20	HJGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)cc1C	1800791048	HWUSFHHHEVPXIU-QVHKTLOISA-N	417.764	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C(C)C)CCC2)CC1	1824617765	DNMAFWNWBGQNLZ-UXHICEINSA-N	411.030	4.840	50	20	HJGD	
Cc1nocc1C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124328	BERXLPGGDLNRON-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(C)cc2Cl)c1C	6148855	BJESZSVJNOKVDQ-WOJGMQOQSA-N	413.905	4.566	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)c1cc(C)c(-c2ccc(F)cc2)s1	726631257	UMSGFAPZSYVYPY-UHFFFAOYSA-N	415.515	4.503	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	731117455	IJCPLIRZLAAWKD-HXUWFJFHSA-N	413.424	4.712	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCc2nc(C3CCCCC3)cs2)cc1	732162914	WUPKSHWVLPXTFS-RGEXLXHISA-N	409.555	4.855	50	20	HJGD	
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)NNc1ccc(Cl)cc1Cl	734675401	IOLSEGBQONFHMV-UHFFFAOYSA-N	412.664	4.523	50	20	HJGD	
Cc1cccc(C(C)(C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	736044587	CBRCEYBKQUWHML-CVGPFBNFSA-N	405.542	4.551	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3nn(C(C)C)cc3c2)c1C	736117610	ZZWXIWHGSAPLLJ-YEWRBRKMSA-N	419.529	4.789	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c2cccc(Cl)c2)c1C	737597578	VAGSVJNOJZIVHP-ZVCOJXFSSA-N	413.949	4.924	50	20	HJGD	
Cc1nc(C)c(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)s1	742089310	WGOPVAZEFPCERF-ZDLGFXPLSA-N	408.502	4.530	50	20	HJGD	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1O	747034802	XTZKTHIDNIDHQB-NSIKDUERSA-N	403.265	4.982	50	20	HJGD	
N#Cc1ccc(OCc2cccc(C(=O)NNc3ccc(C(F)(F)F)cc3)c2)cc1	747588535	MCBBMBOWUBPNDX-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(F)cc1Br)c1ccc(Br)s1	748074634	KMYSXIZFCVKVBT-SSDOTTSWSA-N	422.117	4.659	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NNc3cccc(F)c3)cc12	748099059	SHTCITQVXUOVNI-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccnc(Oc2ccccc2)c1	748204003	YQMMJWZCVWPKFE-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccccc1C(=O)c1ccc(F)c(F)c1	749281340	QPDKUDYTUXLXKI-UHFFFAOYSA-N	418.346	4.554	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(Br)s1	751388168	CESYHZSCIWDKJP-UHFFFAOYSA-N	410.518	4.683	50	20	HJGD	
Cc1nnc(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)n1[C@@H]1CCC[C@@H](C)C1	758168384	FWQCMMZCPLFJQC-IIAWOOMASA-N	422.558	4.660	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2cc3c(Cl)cccc3s2)cc1	768279786	SIMKETFRFJSVRD-UHFFFAOYSA-N	405.932	4.585	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1ccc(Br)cc1Br	768478831	OSMARJYTEAFYRR-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1C	768902958	GYDPGZBNGMEJJA-JCMHNJIXSA-N	423.532	4.769	50	20	HJGD	
Cc1cc(/C(C#N)=C\c2cc(Br)c3c(c2)OCCO3)ccc1[N+](=O)[O-]	774559434	RKESFUNAYDZSQV-AUWJEWJLSA-N	401.216	4.501	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c(C)n1C[C@@H]1CCCO1	775557984	FACDYHCMTJEGAA-YJADQXIJSA-N	414.509	4.825	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)C(=O)c1ccc(OC(F)F)cc1	776259674	OLSUQCWWDOQYOQ-MFOYZWKCSA-N	413.811	4.976	50	20	HJGD	
Cc1cc(C(=O)NNc2nccc3sccc23)nn1-c1ccc(Cl)cc1Cl	776474115	ARSOJNKLTXFEDE-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
Cc1ncsc1/C=C/C(=O)NNc1c(Cl)cc(Br)cc1Cl	776851628	MFRWYPDMJVGAPB-NSCUHMNNSA-N	407.120	4.677	50	20	HJGD	
C[C@H](COCC(F)(F)F)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777911632	MRLMCVVUWWROSF-MRVPVSSYSA-N	423.347	4.590	50	20	HJGD	
CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NNc1nc2ccccc2s1	782811923	CVYFDKYKDISJER-UHFFFAOYSA-N	420.947	4.532	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccc(OCc2ccc(F)cc2)cc1	787313424	COEFMXQGFWLGIL-RHTHQAGFSA-N	416.452	4.895	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)ccc1Cl	788567437	CYGPSEHLPIIOEE-UHFFFAOYSA-N	410.861	4.750	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F	790022464	FBYCAHJUMMWNOT-GFCCVEGCSA-N	404.230	4.639	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	798311350	PFYDOZXZBUBWSU-HZPDHXFCSA-N	406.511	4.507	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CCCC(F)(F)C1)Nc1c(Cl)cc(Cl)cc1Cl	802072234	IEYYYQSQTNEHEV-SSDOTTSWSA-N	400.640	4.625	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2c(F)cncc2F)c(C)n1CCC(C)C	804826947	FMEJEAWRDFKZOQ-QJVAEYLJSA-N	400.473	4.609	50	20	HJGD	
CCC[C@@]1(CO)CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	808813122	BYOXRDOVNKNLDI-GOEBONIOSA-N	410.889	4.922	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812245966	ZNUFJVMHEMWHMB-GHXNOFRVSA-N	400.225	4.855	50	20	HJGD	
O=S(=O)(NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1ccc(S(F)(F)(F)(F)F)cc1	813721946	HCDTVNPWFDFVQT-SLEUVZQESA-N	421.453	4.564	50	20	HJGD	
CNC(=O)Oc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1	814162721	NVLSMSUWQMGGSS-UYRXBGFRSA-N	420.513	4.874	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cccc(Cl)n3)c3cnn(C(C)C)c3n2)c(C)o1	817006882	DEHJQUJPVWGEAB-UHFFFAOYSA-N	424.892	4.694	50	20	HJGD	
O=C(NN=Cc1ccc(OC(F)F)cc1)c1cc(-c2ccncc2)nc2ccccc12	916284598	NNWRGDYYXNOLFZ-UHFFFAOYSA-N	418.403	4.662	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(Br)cc1F	916336653	LLDUNODICJUJFW-ZDUSSCGKSA-N	415.262	4.659	50	20	HJGD	
CCCn1cc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)ccc1=O	919845268	NPBPVOOMJRGQBL-KGENOOAVSA-N	414.509	4.520	50	20	HJGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	921151447	ZDOJXLAUOURDJF-MKBNYLNASA-N	411.873	4.819	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2C(F)(F)F)o1	1324465170	FEPWNBYRWFHGQF-UHFFFAOYSA-N	408.763	4.694	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)c3ccccc3)CCC2)cc1)C(Cl)Cl	1791603556	NBMGQVHUKHSKGF-INIZCTEOSA-N	409.288	4.635	50	20	HJGD	
CCCCCc1ccc(/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](F)Cl)cc1	1796803897	CTEWSELTMNHLGN-ZLGHJQDHSA-N	420.956	4.605	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)cc2F)[nH]n1	1815322038	KGPLTSNNFIEPHW-MAUKXSAKSA-N	420.916	4.571	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)cccc2Cl)[nH]n1	1820860830	XLTCIVOSUFVDSD-XJKSGUPXSA-N	423.344	4.695	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc(F)c(Cl)cc1Cl	18052806	VMDLYGVAWOSVPM-LLVKDONJSA-N	421.255	4.514	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(-c3ccccc3)no2)c(C)n1-c1ccc(Cl)cc1	732112379	WSYMCJXEEADUSB-UHFFFAOYSA-N	407.861	4.554	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cc(C(F)(F)F)ccc1F	733202266	ZBVYMWOOCWYQCU-ZDUSSCGKSA-N	404.363	4.915	50	20	HJGD	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NNc3nccc4sccc34)c12	734250508	ZLXUHGVACNVCPX-UHFFFAOYSA-N	419.466	4.973	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c3nccs3)c2C)cc1	734803714	GGJKHSQPVBIPHE-CPNJWEJPSA-N	404.539	4.818	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(C)nc3ccccc23)c1C	735889978	OTHDQCBYTPUIAC-AGKWGAAGSA-N	417.509	4.819	50	20	HJGD	
Cc1oc(-c2ccccc2)nc1C(=O)Oc1ccc([N+](=O)[O-])cc1Br	739310402	DCRYADNDJKVHKV-UHFFFAOYSA-N	403.188	4.540	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)C(=O)c1ccc(Cl)cc1	742005487	WYLGIPDRGADGSR-UHFFFAOYSA-N	422.493	4.735	50	20	HJGD	
CC(C)(CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1	743532972	FSNYYGWWBLCRLZ-UHFFFAOYSA-N	402.498	4.667	50	20	HJGD	
CCC(CC)[C@H](NC(=O)NNC(=O)c1cccc(Br)c1)c1ccccc1	745525266	NOZCKZDVIJYGSK-SFHVURJKSA-N	418.335	4.571	50	20	HJGD	
COc1ccc(NNC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1	746883260	MTPVCZGSXUULHU-CYBMUJFWSA-N	417.918	4.769	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc2noc(-c3ccc(F)cc3)c2c1	747590154	AZFOMIYFJNOAQU-UHFFFAOYSA-N	416.334	4.805	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc3ccccc3c2)o1	747987925	NYLBEXFBXCLKFB-UHFFFAOYSA-N	403.394	4.677	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1sc(-c2ccco2)nc1-c1ccccc1	748006053	YZDWJPDLGXOSTM-UHFFFAOYSA-N	406.423	4.735	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ccccc1Br	748059573	OBHCFTPPBBQVMC-UHFFFAOYSA-N	424.657	4.962	50	20	HJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ccc(F)cc1Br	748073881	GGQFPRRXYYIZIL-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
C=C1c2ccccc2C(=O)N1CCC(=O)Nc1c(CC)cc(SC#N)cc1CC	748667264	KEUCGELWFPTHHH-UHFFFAOYSA-N	405.523	4.840	50	20	HJGD	
NC(=O)c1cccc(CCNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	752978529	LVAIUARMSBZACB-UHFFFAOYSA-N	409.380	4.807	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2ccc(OC(F)F)cc2)c1-c1ccccc1	754280681	IXSWFHKXJDGMII-UHFFFAOYSA-N	400.429	4.663	50	20	HJGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)NNC(=O)c1ccc(O)c(Cl)c1	756310563	OIPDLNAWASPTEA-UHFFFAOYSA-N	407.923	4.711	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@H](c1cccc(F)c1)c1ccccn1	766289324	LJISIAVNEDJROS-GOSISDBHSA-N	404.367	4.655	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F	766543744	FYTRANZIODKLMU-UONOGXRCSA-N	408.424	4.542	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)Nc1ccc(NC(=O)C2CC2)cc1	769942865	JQKKSPJDVAGOKG-UHFFFAOYSA-N	423.698	4.600	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)NNc2ccc(Br)cc2Cl)cc1C	769950833	BQQRVPDNDVHACT-UHFFFAOYSA-N	411.687	4.518	50	20	HJGD	
C[C@@H](CBr)CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1	770667628	QWMISMOARZMECY-SFHVURJKSA-N	418.375	4.892	50	20	HJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2ccccn12)C(=O)c1cccc2c1OCCO2	771512864	GLCMRHUVDCLWCE-SDXDJHTJSA-N	407.429	4.562	50	20	HJGD	
CC(C)(C)c1cc(NC(=O)NNc2ccc(C(F)(F)F)cc2)n(-c2ccccn2)n1	775760518	LEWYFWXVOORKGZ-UHFFFAOYSA-N	418.423	4.732	50	20	HJGD	
CC(C)(C)Cc1nc(-c2ccc(C(=O)NNc3ccc4ccccc4n3)cc2)no1	777465403	LUIGODYEMSOWDX-UHFFFAOYSA-N	401.470	4.630	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cncc(Cl)c2Cl)c(C)n1C[C@@H]1CCCO1	778076922	IUWOXODCOWNUBD-NHKNYXOTSA-N	419.312	4.531	50	20	HJGD	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNc2cc(Cl)ccn2)cc1	778453495	ZGZGQADJKCYPAK-UHFFFAOYSA-N	420.900	4.968	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3ccccc3OC(F)(F)F)cs2)c1	779208061	AIVGCPZLNFBLOB-UHFFFAOYSA-N	407.417	4.703	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)n1CCC(C)C	780149581	OTSCXOSMNCTBHR-PKIWBCANSA-N	404.514	4.988	50	20	HJGD	
COc1cccc(C(=O)c2ccc(C(=O)NNc3nc4ccccc4cc3C)cc2)c1	781001065	YAWUOKUNQDNNKF-UHFFFAOYSA-N	411.461	4.540	50	20	HJGD	
COc1ccc(SCCCC(=O)NNc2ccccc2OC(F)(F)F)cc1	781040362	JCGPHEWZMSDFGI-UHFFFAOYSA-N	400.422	4.609	50	20	HJGD	
CC(C)c1nc2cc(NC(=O)C(=O)NN(c3ccccc3)c3ccccc3)ccc2o1	782820637	DHHNKGVNDINBAC-UHFFFAOYSA-N	414.465	4.759	50	20	HJGD	
CCOc1ccccc1Oc1ccc(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)cn1	785340484	KTLFHIDIVLQKBF-CPNJWEJPSA-N	417.440	4.635	50	20	HJGD	
N#C/C(=C/c1ccccc1OCC(=O)N1CCCC1)C(=O)c1cc2ccccc2s1	788329726	YALKGNNSDCAUNK-UYRXBGFRSA-N	416.502	4.692	50	20	HJGD	
COc1cc(NNC(=O)c2cccc(COc3ccccc3C#N)c2)ccc1Cl	790189748	SNSGLLBGDLIDOQ-UHFFFAOYSA-N	407.857	4.556	50	20	HJGD	
Cc1cc(C(=O)NN=C2CCC(N(C)Cc3ccccc3)CC2)c2ccccc2n1	797785776	TWLJRQDZDIIWCB-UHFFFAOYSA-N	400.526	4.704	50	20	HJGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1C	802070640	VIJJTDFEUUSZKI-QMMMGPOBSA-N	418.712	4.589	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCOc2ccc(Br)cc2C1	802259783	ZQEZFYWHPNJRLU-HNNXBMFYSA-N	416.406	4.884	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(O)nc2c(Br)cccc12	812766524	IVSABYPFBXKPBW-UHFFFAOYSA-N	414.303	4.892	50	20	HJGD	
COc1c(NC(=O)NNc2c(C)cccc2C(C)C)cc(Cl)cc1C(=O)N(C)C	812983117	HMKLCLFJUODXHX-UHFFFAOYSA-N	418.925	4.631	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc(Cl)c(F)cc1Cl	815699880	MMGVGHUPBDEOJT-UHFFFAOYSA-N	414.008	4.930	50	20	HJGD	
CCOC1(C)CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)CC1	816787658	AKCUHYXORCLUHO-HKWRFOASSA-N	409.505	4.558	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cl)ccc(Cl)c2Cl)cc1	817929583	QGGJIUPSJWZBEF-FMIVXFBMSA-N	422.699	4.894	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2nc3ccccc3n2C)c(C)n1C1CCCCC1	823092545	XSTKOJYKKKGYMO-XSFVSMFZSA-N	415.541	4.720	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(c2ccc(F)cc2)CCCC1	887566729	ZXDRENYTIVMYCC-UHFFFAOYSA-N	411.355	4.708	50	20	HJGD	
N#C/C(=C\c1csc(Br)c1)C(=O)Nc1nc2ccccc2nc1Cl	913617920	ZTWKTCVELRFFQN-BJMVGYQFSA-N	419.691	4.653	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccn(Cc3ccccc3)n2)c(C)n1CC(C)C	916508184	MYWIBVNTGIMHGB-LPYMAVHISA-N	401.514	4.551	50	20	HJGD	
COc1ccc(-c2nc(NS(=O)(=O)c3ccc(CCCl)cc3)sc2C)cc1	917846534	SMSTUDANHMAKBV-UHFFFAOYSA-N	422.959	4.709	50	20	HJGD	
O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918559248	LRCMRRYVPJJGRZ-OAHLLOKOSA-N	420.796	4.832	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCN(C(C)(C)C)CC2)c(C)n1-c1ccc(F)cc1	919851433	VERIUGQPFRBMJZ-HKWRFOASSA-N	422.548	4.519	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)nn1	1320814995	YUIPYVRFGMCEFO-UHFFFAOYSA-N	420.904	4.523	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)c2nnc(Cc3ccc4ccccc4c3)o2)c1C	1322257735	WDRVQZSTZFXTFQ-HAHDFKILSA-N	412.493	4.943	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccco3)CCC2)cc1	1790488350	MIXFJHQVLCPVQO-HNAYVOBHSA-N	402.922	4.610	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccc(F)cc1)C(C)C	1802146929	NTCCSUSXGSOMIR-XNTOXWQXSA-N	422.972	4.611	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccs2)n[nH]1	1817494906	OMMOYZIOUYXONX-ZMMKQQPBSA-N	420.966	4.584	50	20	HJGD	
C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)C(C#N)=C1Nc2ccccc2N1	24271652	WXTKWZIANAAUJZ-LLVKDONJSA-N	423.885	4.712	50	20	HJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC)c(OC)c2)cc1	97527787	JYDHWOPKRPEPCC-CPNJWEJPSA-N	408.498	4.991	50	20	HJGD	
Cc1ccc(-c2ncc(C(=O)NNc3ccc(Br)cc3)s2)c(C)c1	116196787	XRCWWKZVLILTOV-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
CCOc1cccc2cc([C@@H](C)NC(=O)NNc3ccc(OC(F)F)cc3)oc12	726702217	HTMSUEWKMUQYSP-GFCCVEGCSA-N	405.401	4.820	50	20	HJGD	
CC[C@@H](C)[C@@H](C(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	728832713	PAIYKUKOMBPIBY-SJKOYZFVSA-N	423.738	4.693	50	20	HJGD	
C=CCN1CCC(NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	730124716	CPYKJLIKWIJLPC-HNNXBMFYSA-N	407.889	4.678	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NN=c1cc[nH]c2ccccc12	730287712	QDTCLBOTXOHRBG-UHFFFAOYSA-N	400.916	4.560	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2ccc(Br)s2)c1	730436344	IMZKUIFJBMHYMA-KPKJPENVSA-N	414.284	4.699	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1cccc(OCc2ccccc2C(=O)O)c1)c1ccccc1	731932003	WIEYOSZOELHZIG-JOCHJYFZSA-N	416.477	4.608	50	20	HJGD	
C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1CCP(=O)(c1ccccc1)c1ccccc1	732209698	NMMOBVWHTRRPHO-TVZXLZGTSA-N	419.505	4.851	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=C(C)c2cccc(-c3ccncc3)c2)cc1Cl	741769166	HQNDHOQSNPALSF-UHFFFAOYSA-N	424.888	4.965	50	20	HJGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)Nc2ccc(Br)cc2Cl)c1	741771427	SUESPSPHTGYKNY-UHFFFAOYSA-N	423.698	4.607	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C)Sc2ccccc2)c1C	742788699	VOWOOWFSJFOWET-QPMAMFFCSA-N	411.571	4.516	50	20	HJGD	
Cc1cc(CSc2ncccc2C(=O)NNc2ccc(Cl)cc2Cl)no1	748008188	PWWMZVAPNGURFU-UHFFFAOYSA-N	409.298	4.734	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(F)c3)s2)cc1	750891829	BBDCRHOMIOBEKY-GHRIWEEISA-N	419.481	4.802	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(F)(F)F	750900642	OWNUXOOAANLXTJ-JYRVWZFOSA-N	410.779	4.835	50	20	HJGD	
C[C@@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)NNc3cccnn3)c2C1	753090473	JPQUZPUACVNKGT-FDCFBWIESA-N	421.504	4.905	50	20	HJGD	
C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NNc1ccc(C#N)c(Cl)c1	753322898	QNSZEPBOFJYQFF-CQSZACIVSA-N	406.873	4.513	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](C)c2nccs2)c(C)n1-c1ccccc1F	754735652	IVWFRKQWZRRNTB-JVVDOCDTSA-N	408.502	4.517	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(-c2ccccn2)ccc1Cl	755181707	XJGGOYDKOLFWBN-UHFFFAOYSA-N	402.679	4.921	50	20	HJGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c1	756783713	LGRQSFCXNXJLQN-DHDCSXOGSA-N	412.421	4.661	50	20	HJGD	
COc1ccc(-c2ccccc2)cc1/C=C(\C#N)C(=O)Nc1ccc(NC(C)=O)cc1	756789534	YIXHMFUNBWSRQK-RCCKNPSSSA-N	411.461	4.866	50	20	HJGD	
Cc1ccc(-c2cncc(C(=O)NNC(=S)Nc3ccccc3C(C)C)c2)cc1	758156339	VAJNUZSAEJZJOJ-UHFFFAOYSA-N	404.539	4.812	50	20	HJGD	
Cc1cc(C2CCN(C(=O)/C(C#N)=C/c3cc(C)n(C4CCCCC4)c3C)CC2)n[nH]1	760425326	CHWYCWMAVXMKCT-PXLXIMEGSA-N	419.573	4.955	50	20	HJGD	
CCOc1cc(C(=O)NNc2c(Cl)cccc2Cl)cc(OCC)c1OCC	763616100	UFCSCCSDNQXUBR-UHFFFAOYSA-N	413.301	4.946	50	20	HJGD	
COc1cc([N+](=O)[O-])c(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1SC	767409508	LWMFYPQHOGRNGS-UHFFFAOYSA-N	420.249	4.528	50	20	HJGD	
N#C/C(=C\c1cc(Br)ccc1Cl)C(=O)N(CC(F)(F)F)C1CC1	767730203	XOHFDPFBVYIIMH-BJMVGYQFSA-N	407.617	4.563	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NNc1c(F)cccc1Cl	770197120	KMMSIHJOAYPOJS-UHFFFAOYSA-N	421.856	4.997	50	20	HJGD	
COc1cc(/C(C#N)=C/c2ccc(OCc3occc3C(=O)O)cc2)ccc1[N+](=O)[O-]	774560608	MMLHRUKMZABKIF-MHWRWJLKSA-N	420.377	4.538	50	20	HJGD	
CCCn1c(C)c(C(=O)NNc2ccc(C(F)(F)F)cn2)c2cc(OC)ccc21	775261432	GDAKHDBWJABWTJ-UHFFFAOYSA-N	406.408	4.539	50	20	HJGD	
N#C/C(=C\c1ccc(OCCN2CCCC2)cc1)C(=O)c1ccccc1OC(F)F	775639436	QFIPDGKVTFGBAC-OBGWFSINSA-N	412.436	4.552	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3ccc(Br)cc3Cl)cc2C)cc1	777426094	WFAZYTNTZYMOAQ-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)NNc1cccc(C#N)c1	779699448	VDTMQTHSJFELOC-FQEVSTJZSA-N	421.501	4.609	50	20	HJGD	
CN(C[C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782984846	UYGLZMZNXNOSLX-FZMZJTMJSA-N	409.442	4.516	50	20	HJGD	
CC(C)c1nc(SCC(=O)/C(C#N)=C2\Nc3ccccc3N2C)c2ccccc2n1	783452260	NDVXYLFRAMLJCX-CJLVFECKSA-N	415.522	4.711	50	20	HJGD	
C[C@@H]1CCC[C@@H](C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783462897	KTBYKVNSFTXUJN-GHMZBOCLSA-N	407.426	4.975	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccc(Cl)c(Cl)c3)nn2)c(C)c1	783695369	BEQFNNYPCLWECO-ZSOIEALJSA-N	412.280	4.737	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1ccc2ccccc2n1	790919572	QWMRFUSUOHZERE-UHFFFAOYSA-N	406.486	4.658	50	20	HJGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	798367391	CZUHYZNJNMKZHI-HWPZZCPQSA-N	403.857	4.698	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1csc2c1CCCC2	804207731	NNRPMDDZOVKATF-UHFFFAOYSA-N	418.444	4.860	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cccc2cccc(Br)c12	806900977	FKPULYJKVYIYAQ-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cn3ccc(Br)cc3n2)c(C)c1	811686228	RDZSYPJWNWHQPY-OVCLIPMQSA-N	409.287	4.568	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cn1	812244920	KOMSWJMOWVMNHB-DEDYPNTBSA-N	407.433	4.966	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3CS[C@H](C(C)C)C3)cc2)n1	814702007	KFNQRWPOQKXFDU-IBGZPJMESA-N	414.600	4.633	50	20	HJGD	
O=C(CC1CC1)NNC(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1	819117664	BKJDWTJEHQPGJF-UHFFFAOYSA-N	412.408	4.557	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1	857831235	MVVAXMZVYBGGNR-UHFFFAOYSA-N	414.512	4.885	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2C(F)(F)F)c1C	914475011	XTIIIHBNKDIDKZ-GDXCHIGESA-N	419.447	4.555	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@H](c1ccccc1)c1cccc(Cl)c1	916652135	UMLROJVXEXJVQP-OAQYLSRUSA-N	418.884	4.555	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(Oc2cccc(F)c2)nc1	1321387867	XBALERLXGXRNRF-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(-c3cc4c(s3)CCC4)o2)c1C	1323956859	PZPQMUIJRLETRG-WXARJGPPSA-N	408.527	4.977	50	20	HJGD	
CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)on1	1790161008	JXXDMUJSBRTDTO-UHFFFAOYSA-N	417.937	4.811	50	20	HJGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12	1801201777	LETYSBPAZXMSEG-UIVXKWKOSA-N	424.928	4.855	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1F	1801497329	GNZQVBYMBIYMLG-WPVAHCMFSA-N	414.993	4.732	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)[C@H](CC)c3ccccc3)C2)CC1	1809007176	XWTIGAAQTVKZRQ-NHCUHLMSSA-N	419.009	4.819	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(F)c(F)c2)c1C	5972072	GWGDFUONFOJIFU-VCHYOVAHSA-N	400.425	4.516	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(OC)c1OC	34736621	AGUPBTBLTOQLMX-JYRVWZFOSA-N	420.437	4.573	50	20	HJGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NNC(=O)c1cc2c(s1)CCCCC2	303217124	UDUXVUXTYCHOCY-OAHLLOKOSA-N	410.461	4.514	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1cccc2cccnc12	726871834	OLBVUZPJWLVDJL-UHFFFAOYSA-N	423.432	4.510	50	20	HJGD	
O=C(Cc1cccc(C(F)(F)F)c1)NNc1ccc(Br)cc1Cl	729275187	AOEJWEPPZRDENM-UHFFFAOYSA-N	407.617	4.807	50	20	HJGD	
COc1ccc2oc([C@@H](C)NC(=O)NNC(=O)c3ccc4ccccc4c3)c(C)c2c1	730272779	LXWNICUTNDWSLI-OAHLLOKOSA-N	417.465	4.608	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	733763628	DJWQTTJOGUTELP-HIPSJFSSSA-N	406.461	4.622	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1	735022966	WQELHOQIQZPEPU-NDEPHWFRSA-N	421.994	4.572	50	20	HJGD	
COc1cc(C=NNC(=O)c2cc3c(s2)CCCCC3)c(SC)cc1OC	741164010	UCIYTUJHXGAVSJ-UHFFFAOYSA-N	404.557	4.520	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC[C@H](C)c2ccc(OC)cc2)c1C	741615851	UYXKTMGRDDYKDC-DYOPXDPWSA-N	423.557	4.538	50	20	HJGD	
CSc1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)ccn1	742005068	JGDGGSRTDZVDCC-UHFFFAOYSA-N	407.120	4.630	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccccc2Br)cc1OCCC	748058993	FFVPYFYGMFJFBW-UHFFFAOYSA-N	407.308	4.784	50	20	HJGD	
Cc1nc(-c2cccs2)c(CC(=O)NNc2ccc(Br)c(C)c2)s1	748606089	DLRNUKWGZPDYGX-UHFFFAOYSA-N	422.373	4.937	50	20	HJGD	
Cc1cc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c(F)cc1F	748840701	KRFLOGRCPCZDRT-UHFFFAOYSA-N	423.794	4.577	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3oc(COC)nc3c2)c1C	751052194	SXLHQKUTCZHONJ-WQRHYEAKSA-N	406.486	4.738	50	20	HJGD	
N#C/C(=C\c1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl	767717331	LLTVMXVAUJHNJM-YRNVUSSQSA-N	406.623	4.556	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)c1	770029635	FOZFDXSTTZIZKF-UHFFFAOYSA-N	405.845	4.613	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccc(Oc2ccccn2)cc1	770030435	PCYUKFONSMYUCM-UHFFFAOYSA-N	404.348	4.921	50	20	HJGD	
CCC(=O)c1ccc(OCCCCC(=O)NNc2ncc(Cl)cc2Cl)cc1	776264750	SQHPRVSBRKOJST-UHFFFAOYSA-N	410.301	4.674	50	20	HJGD	
O=C(O)CCCCCCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776441659	NUDLCNOJOMEYTG-UHFFFAOYSA-N	411.414	4.657	50	20	HJGD	
Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777952177	KPXODEWFLCDWPO-SECBINFHSA-N	420.425	4.858	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(NC(=O)NNc2ccccc2OC(F)(F)F)cc1	779392188	IQKMMHAPPKOBLF-UHFFFAOYSA-N	410.396	4.718	50	20	HJGD	
C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)NN=c3cc[nH]cc3)c2C1	781019385	ICOVJEMIPKGTGP-CFBLSMTOSA-N	410.477	4.525	50	20	HJGD	
Cc1ccc(F)cc1COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	782234154	MXNBGDCXQRHFMQ-XDHOZWIPSA-N	414.440	4.562	50	20	HJGD	
Cc1noc(C)c1CN(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782983391	OWDOEMSLGJUKER-UHFFFAOYSA-N	406.398	4.770	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	786042941	NGLPLMIZOAAJOM-YBEGLDIGSA-N	406.847	4.730	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1Cl	787386617	GEFLKKHKKWSIRJ-OKRNDORHSA-N	418.880	4.867	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1)c1ccccc1	788587262	CCOKIXNWKCOHKI-CQSZACIVSA-N	401.388	4.997	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(=O)n(Cc2ccccc2Cl)c1	791734557	UKBYUWKXNKJDLK-UHFFFAOYSA-N	422.699	4.614	50	20	HJGD	
O=P(CCN(Cc1c(F)cccc1F)C1CC1)(c1ccccc1)c1ccccc1	792323670	VEWKMRFLLPSUHG-UHFFFAOYSA-N	411.432	4.943	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccc(Br)cn1	793395223	KORXSRJOBTUMNT-MRVPVSSYSA-N	404.095	4.538	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(NC(=O)N(C)C)c2)c1C	794412817	MJHBBXGKSAEQFT-DEDYPNTBSA-N	421.545	4.853	50	20	HJGD	
Cc1cnn(C)c1/C=C(/C#N)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	794685363	FUPDHKMMHGWNTF-YBEGLDIGSA-N	410.424	4.527	50	20	HJGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	794686235	LZIUNYCCMBPUAT-OVCLIPMQSA-N	403.419	4.513	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1OCc1ccc([N+](=O)[O-])cc1	806557118	MNUOEGREYCMHPG-VCHYOVAHSA-N	404.378	4.565	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2noc3c2CCCC3)c(C)n1C1CCCCC1	807736785	HBILRHONXIFCGI-UYRXBGFRSA-N	406.530	4.700	50	20	HJGD	
Cn1nc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1C1CC1	810447895	UBUUGKINTFIWBH-UHFFFAOYSA-N	410.368	4.532	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(O)nc2ccccc12	817015239	SVLXNYUZVKMFSV-UHFFFAOYSA-N	415.293	4.735	50	20	HJGD	
CCc1cc2oc(=O)cc(COC(=O)/C(C#N)=C\c3cccc(OC)c3)c2cc1Cl	849205062	MZVLTSSAJOVGJU-APSNUPSMSA-N	423.852	4.668	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1C	912912861	JMWUCTZMUXEOLM-VUFYJBQKSA-N	401.457	4.901	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)CCC1	1788950289	UAFLCEPVGCESJN-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccs3)CCC2)cc1	1790485856	IWBSQZNEYIXKHI-DOJUMQAQSA-N	402.947	4.913	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccn4c3)CCC2)cc1	1790486351	ZMMJSBMVELPHKG-QGZVFWFLSA-N	415.946	4.766	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccc4o3)cc2)CCC1	1790851850	TYWCEESARBBUSX-MRXNPFEDSA-N	411.889	4.593	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H]3C)CCC2)cc1	1791359721	WLKTWHSDDNFMJW-JLSDUUJJSA-N	421.379	4.730	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)oc1C	1795126150	YQMWJRGKXUNMQR-DFGXFYAUSA-N	408.970	4.545	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)cccc2C)n[nH]1	1821187018	VQJPNPWROXKWLZ-SJLPKXTDSA-N	416.953	4.740	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Cl)CC1	1830309173	GVDHIKGJLYLICL-HKUYNNGSSA-N	411.373	4.591	50	20	HJGD	
N#C/C(=C\c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	14175721	ULZMCUDIYQCRQV-PRDNPTHXSA-N	416.399	4.809	50	20	HJGD	
CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1	209982164	GMPSKPNOAGZQMI-SILNSSARSA-N	405.498	4.503	50	20	HJGD	
CC(C)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc(-c2ccncc2)no1	727855039	YDAFYRLTENSXCT-NVXWUHKLSA-N	406.577	4.659	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)c(C)n1CC(C)C	728494338	IMYOVMASKTWTQK-HMAPJEAMSA-N	419.525	4.510	50	20	HJGD	
CC(C)(C)n1cc(C=NNC(=O)CCc2ccccc2O)c(-c2ccccc2Cl)n1	731153683	YMMHQPHYNZHTCD-UHFFFAOYSA-N	424.932	4.747	50	20	HJGD	
CC1(CNC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CCCC1	731286617	JFLORGLDRYYDKH-OAHLLOKOSA-N	408.873	4.541	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3nccc4sccc34)cs2)cc1	734249210	OERBTTXVKGRZQS-UHFFFAOYSA-N	410.524	4.966	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CCc2ccc(Cl)c(Cl)c2)c1C	734256006	CJYZRCPCWJNHJW-UHFFFAOYSA-N	416.312	4.538	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CC2CCC(c3ccccc3)CC2)c1C	734257378	ULUSMXYTDQAUCG-UHFFFAOYSA-N	415.541	4.963	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc1	741473909	UTCBBRTWXTUQST-DEDYPNTBSA-N	424.460	4.696	50	20	HJGD	
Cc1ccccc1-c1cc(C(=O)NNc2ccc(Cl)nc2)c2cnn(C(C)C)c2n1	743816125	KKAOFAWRIPVOBM-UHFFFAOYSA-N	420.904	4.793	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	744502184	NKPXNOXIIFAKRP-NCPSJORJSA-N	403.265	4.779	50	20	HJGD	
Cc1cnc([C@H](NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)C2CC2)s1	745865888	CGVLIARWSAKCKA-LJQANCHMSA-N	421.526	4.606	50	20	HJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1ccc(F)cc1Br	748073638	PRADZADDJTUVMZ-UHFFFAOYSA-N	410.246	4.884	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2cccc3c2CCCC3)cc1	748580368	AQAPWLJLIHHJIL-UHFFFAOYSA-N	400.482	4.966	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(C)oc2ccc(OC)cc12	753178053	RULHVPVCLJGSFA-UHFFFAOYSA-N	403.276	4.832	50	20	HJGD	
O=C(NNC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1	758506883	NZZVGXUWXAQWBZ-UHFFFAOYSA-N	423.178	4.750	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@@H]1c1cccc(Br)c1	767295280	POYMXNJJYANYDF-KGLIPLIRSA-N	403.158	4.922	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3c(Cl)cccc3Cl)s2)cc1OC	768058634	KDOCIHCKIRURBU-UHFFFAOYSA-N	424.309	4.891	50	20	HJGD	
CN(CCCn1ccnc1)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	768956774	DGVZZVWSWMJMFZ-CQSZACIVSA-N	406.861	4.656	50	20	HJGD	
O=C(NN=Cc1ccc(F)cc1C(F)(F)F)c1ccc(COc2ccccc2)o1	771885418	TTWJYDMUZKDXHU-UHFFFAOYSA-N	406.335	4.780	50	20	HJGD	
O=C(Nc1ccc(OC2CCC2)c(F)c1)C(=O)NN(c1ccccc1)c1ccccc1	782821706	VKWROSQYYUYNOE-UHFFFAOYSA-N	419.456	4.565	50	20	HJGD	
C/C(C=NNC(=O)c1ccc(COc2ccccc2)o1)=C\c1cccc([N+](=O)[O-])c1	787153636	WNXNZMBIWVBFKG-XFYLAVLZSA-N	405.410	4.586	50	20	HJGD	
N#C/C(=C\c1cccc(C(=O)O)c1Cl)C(=O)Nc1ccc(SC(F)F)cc1	787167944	HHNQRUQBPVJNJH-DHZHZOJOSA-N	408.813	4.899	50	20	HJGD	
COc1ccc2c(c1)CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@@H](c1ccccc1)C2	787422846	AICFOOLTSILKHD-AHBWMYNMSA-N	410.473	4.634	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(Sc3ccccc3Cl)nn2)ccc1Cl	790179649	ZIPHASOUMRQKSX-UHFFFAOYSA-N	421.309	4.700	50	20	HJGD	
COc1cc(NNC(=O)c2cn(-c3ccc(C)cc3)nc2C(C)(C)C)ccc1Cl	790180030	LVLDVKZHULVOEC-UHFFFAOYSA-N	412.921	4.897	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)[C@H]1CCCOC1	794884538	PZFSCBAPLKZMJA-UZNZLNSGSA-N	401.441	4.581	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=C2CCC[C@H](c3ncccc3C)C2)c1	799112900	ZKMNMEIBECMQGE-AWEZNQCLSA-N	416.319	4.605	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	806333315	OWKCJAVJQRLXIC-UHFFFAOYSA-N	411.462	4.571	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)c1C	813286186	VJWNSVBFXSOYNT-DLBLZJNESA-N	417.553	4.632	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c1	877255621	FUCYEFNZQRGREV-UNOMPAQXSA-N	416.456	4.737	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)c(C)c1	912800344	NLQGTYZHXAMYKS-UHFFFAOYSA-N	408.483	4.502	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1C	914501226	CWMZBBAEZXDBHW-QVHMZZSFSA-N	418.541	4.528	50	20	HJGD	
O=C(NN=Cc1ccccc1OCc1ccncc1)c1cc2c(s1)CCCCC2	914693456	DNZGZMHSXMWPPP-UHFFFAOYSA-N	405.523	4.755	50	20	HJGD	
N#C/C(=C/c1ccccc1Br)C(=O)Nc1nc(-c2ccncc2)cs1	916132836	TZOGQTDNFXIQFC-ZROIWOOFSA-N	411.284	4.513	50	20	HJGD	
COc1ccc([C@@H](NC(=O)NNc2nc(Cl)c(Cl)cc2Cl)C2CC2)cc1	916228548	FZTLRMQHGCHCLF-AWEZNQCLSA-N	415.708	4.828	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1	920296005	JSSZNIUXUSVHFS-XDHOZWIPSA-N	417.440	4.635	50	20	HJGD	
CN(c1ccccc1)c1ccc(C=NNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-]	1115813039	KNVRGGHWNJODSE-UHFFFAOYSA-N	408.845	4.780	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCc2coc(-c3ccccc3)n2)c1C	1318186158	JAVWANKTSUWILO-PXLXIMEGSA-N	416.525	4.826	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@]3(F)CCCCC3(F)F)cc2)CCC1)[C@H](F)Cl	1789164068	ICGXRWOHGFYRDF-KSSFIOAISA-N	420.834	4.573	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CCC1	1789278472	IGFYDFGYVGMXJO-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
C[C@@H]1CCC[C@H]1C(=O)NC1(c2ccc(NC(=O)[C@](C)(Cl)CCl)cc2)CCC1	1790494242	GSIXGMDBSXIBST-WIBUTAKZSA-N	411.373	4.793	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1	1820860161	HMPAHNIKLGEOLW-MTNOOBJLSA-N	423.001	4.882	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2C)CC1	1830641835	QZXLLQRGKJTNMA-PMACEKPBSA-N	404.982	4.554	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	212749751	PQMFKKHSECVVMA-PTNGSMBKSA-N	406.413	4.997	50	20	HJGD	
Cc1cc(O[C@H](C)C(=O)NNC(=O)c2c(Cl)cccc2Cl)ccc1C(C)C	727792263	NJMBJTNEJYEUOD-CYBMUJFWSA-N	409.313	4.654	50	20	HJGD	
O=C(NN=Cc1cc2ccccc2nc1Cl)c1cc(F)ccc1Br	728438508	YGSGPOKZZREVIK-UHFFFAOYSA-N	406.642	4.554	50	20	HJGD	
COCc1c(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)oc2ccccc12	732051960	GHVOXCADXOUXNA-UHFFFAOYSA-N	424.453	4.522	50	20	HJGD	
CCCCC(CC)=NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	732923589	FBIYOUDMTSNRRZ-UHFFFAOYSA-N	421.950	4.827	50	20	HJGD	
CC(C)C[C@@H](NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1)c1ccc(Cl)cc1	745840247	QJENVUAHPFPGJP-LJQANCHMSA-N	417.941	4.529	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)nnn1-c1cccc(Cl)c1	747605038	OLNMOTLLDJHPCA-UHFFFAOYSA-N	423.826	4.649	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)/C(=C/c1ccco1)NC(=O)c1ccccc1	748017748	PIZFLVDQLPNLBW-PDGQHHTCSA-N	416.264	4.501	50	20	HJGD	
Cc1nn(-c2ccc(C(=O)NNc3ccccc3Cl)cc2)c(C)c1Br	748292316	NKTKAJQQQWWAAO-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
N#Cc1ccc(NNC(=O)/C=C/c2ccccc2OC(F)(F)F)cc1C(F)(F)F	748623564	OQCMYTHCJZWYHN-SOFGYWHQSA-N	415.293	4.632	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1c(C)nc2ccnn2c1C	748673086	VOZRRZMTBCQWMH-UHFFFAOYSA-N	407.543	4.615	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1c(-n2cccc2)sc2c1CCSC2	748897797	GWGLNNOKLAIEMY-UHFFFAOYSA-N	407.923	4.878	50	20	HJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC	749452563	OZBHKBDLZSSMNG-XWAFYUISSA-N	405.903	4.864	50	20	HJGD	
Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C2=O	762517760	MTJFWGRFBGSJHK-UHFFFAOYSA-N	420.359	4.887	50	20	HJGD	
C[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H](C)N1CCOCC1	762965193	DXJJUYUGFWWULA-NWDGAFQWSA-N	403.417	4.575	50	20	HJGD	
C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNc1c(Cl)cccc1Cl	763617103	DFMMGEZPMBOFFT-QMMMGPOBSA-N	421.111	4.562	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1NCc1ccccc1	765010703	OZBJPGHOXYFLPR-UHFFFAOYSA-N	415.415	4.997	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc(Br)c1O	766780217	VXUOYRBITLQHSZ-AWNIVKPZSA-N	419.231	4.534	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)cc1	767270810	JOGXCJIIJAXBFD-NTEUORMPSA-N	416.355	4.896	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Br)c1	768268961	KGLFQLAPHVNUQB-XYOKQWHBSA-N	423.213	4.605	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)c1	768711112	ABTTZSXAURBBQL-UHFFFAOYSA-N	413.264	4.596	50	20	HJGD	
Cc1ccnc(NNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)c1	768721799	NSSOTAYUHWBVAS-UHFFFAOYSA-N	414.874	4.860	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)c2ccc(C)c(C)c2)c1C	768746277	FIJGCIUDCMHQTG-MHVUPUDBSA-N	422.525	4.651	50	20	HJGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1NCc1cnc(N2CCOCC2)s1	770513447	FRZAUKKDMVHOFR-CQSZACIVSA-N	423.913	4.811	50	20	HJGD	
CC(C)(C)c1nc2cc(NC(=O)C(=O)NNc3c(Cl)cccc3Cl)ccc2o1	773694204	IDFPXOLLXHELFV-UHFFFAOYSA-N	421.284	4.514	50	20	HJGD	
COc1cc(C)ccc1Oc1ccc(NC(=O)NNc2c(F)cccc2F)cn1	775508560	VQRPFZWYYWHUTR-UHFFFAOYSA-N	400.385	4.618	50	20	HJGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1	776465637	ZRGUZRGUDKZTHR-UHFFFAOYSA-N	409.471	4.654	50	20	HJGD	
COC[C@@H]1CCCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	778074028	VLQXQFQUJHFNLN-GFCCVEGCSA-N	409.442	4.781	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)NNc3ccccc3OC(F)(F)F)cc2)nn1	779435156	TXAIADDEGFZXGP-UHFFFAOYSA-N	419.363	4.625	50	20	HJGD	
CCCCN1CCC(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782978254	FNHSAZJONBKNDJ-UHFFFAOYSA-N	422.485	4.887	50	20	HJGD	
C[C@@H]1C[C@@H](CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO1	784419613	ZYHAWBPBOSLHBO-NEPJUHHUSA-N	409.442	4.828	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)c(Cl)c1	794759691	GBMPMSSFQRZAPV-UHFFFAOYSA-N	404.894	4.546	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2csc(-c3ccc(Cl)cc3)n2)cc1	797304331	IMJCURTVBQJGEQ-ATVHPVEESA-N	423.925	4.738	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)C1CCN(C)CC1	814701599	CVVLEMRGSLSADV-UHFFFAOYSA-N	415.537	4.866	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)C(C)C)c(C)n1C[C@@H]1CCCO1	837213132	KGNALVFFOZYCIW-BJYRUZDYSA-N	405.542	4.628	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=Cc3ccsc3)c3ccccc3n2)cc1OC	916344633	WSDDXINAHCIRLN-UHFFFAOYSA-N	417.490	4.744	50	20	HJGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1C	917537218	AULJZMSJPZKPIO-SFHVURJKSA-N	424.932	4.677	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC(C)C)c2)c(C)n1C[C@@H]1CCCO1	917701046	QMVYGMQRVJNCLL-NYIUWGNGSA-N	421.541	4.864	50	20	HJGD	
Cc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)c(OCC(F)(F)F)c1	919962980	VFALTMXVBLCWTF-UHFFFAOYSA-N	407.841	4.518	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=Cc3cnc(C(C)(C)C)s3)s2)cc1	920370226	FMVHNFFALAYMPA-UHFFFAOYSA-N	414.556	4.524	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c(Br)cc1O	921258775	BKTVQHVGDWMPCU-QPEQYQDCSA-N	411.255	4.743	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)NNc3ccc(C(C)(C)C)nn3)s2)cc1	1251943559	NOSQJXDUDOTLCU-HNNXBMFYSA-N	424.574	4.902	50	20	HJGD	
CCN(CC)C1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)CC1	1318620535	NTLQXWHATZIHMS-HAVVHWLPSA-N	418.585	4.642	50	20	HJGD	
CC(C)(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)c[nH]1	1787039534	CLEIRUWQENRNBM-QGZVFWFLSA-N	405.901	4.594	50	20	HJGD	
C[C@@H](Sc1ccccc1)C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788582165	CNECDLGMMYFSSO-KDOFPFPSSA-N	420.937	4.836	50	20	HJGD	
C[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)Oc1ccccc1	1788588921	PLERBADDWFZOFU-QRWLVFNGSA-N	418.896	4.513	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccc4o3)CCC2)cc1	1790490064	RVANUHZXTNVKRY-MRXNPFEDSA-N	411.889	4.593	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)Cl)n[nH]1	1818043308	GXOKVKLKWFVHAE-CRAIPNDOSA-N	414.953	4.933	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)CC1	1831505705	BTDQFDHIMINBHT-BVYCBKJFSA-N	419.009	4.817	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1csc(-c2ccc(Cl)cc2)n1	15756301	JZUXUDPTSHIDBF-UHFFFAOYSA-N	423.350	4.748	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccc(F)cc2)c1Cl	33375583	KOJMQZTXTAWQCS-QINSGFPZSA-N	424.863	4.918	50	20	HJGD	
COc1ccccc1[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)N1CCCC1	302709110	MSGWHOINCUWWNV-IEBWSBKVSA-N	408.633	4.662	50	20	HJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(Br)c(OC(F)F)c(OC)c1	726119287	WXBNHEFNXQOCIF-SDQBBNPISA-N	402.235	4.971	50	20	HJGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)cc1	729972380	YTMDLYVEQXIBEG-FQEVSTJZSA-N	421.909	4.506	50	20	HJGD	
CN(CCC#N)c1ccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)cc1	730439488	MLTKVLNUAGHRHX-KAMYIIQDSA-N	400.301	4.650	50	20	HJGD	
COc1cc(F)c(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cc1OC	730505212	ZUFOIKUZVXDDAU-VCHYOVAHSA-N	413.493	4.853	50	20	HJGD	
Cc1noc(C)c1CCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	730664931	QVKUIEYNOHXIFK-AWEZNQCLSA-N	407.845	4.875	50	20	HJGD	
Cc1ccc(-n2c(NNC(=O)c3coc4ccccc34)nc3ccccc3c2=O)c(C)c1	733264635	BWDPBPGYELSNMT-UHFFFAOYSA-N	424.460	4.506	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Br)cc2Cl)cnn1-c1ccccc1	733808269	WEOQCPIFSIHSJO-UHFFFAOYSA-N	419.710	4.608	50	20	HJGD	
CCc1nc([C@H]2CCCCN2C(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)no1	737624954	MZQLLNGZRBFACS-JCZXDDDQSA-N	423.561	4.757	50	20	HJGD	
CSCCCCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1	739470670	JHCZPWPCPCXJHI-UHFFFAOYSA-N	420.962	4.522	50	20	HJGD	
CSc1cccc([C@@H](NC(=O)NNC(=O)CC(C)(C)C)c2cc(F)ccc2F)c1	745903690	LVTPKQMZMDFFFB-LJQANCHMSA-N	421.513	4.543	50	20	HJGD	
O=C(Nc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1)OCC(F)(F)F	748011743	AFZIINVWRVDUMH-UHFFFAOYSA-N	422.190	4.861	50	20	HJGD	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NNc3ccc(C#N)c(Cl)c3)ccc21	753306959	XPVHCTQBOMNTFF-UHFFFAOYSA-N	421.810	4.918	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H](c1ccccc1)c1nccs1	754641342	QYKKSBRCNCRIIF-OAHLLOKOSA-N	410.396	4.717	50	20	HJGD	
O=C(NN=C1CCC(O)CC1)c1ccc(CSc2nc3ccccc3s2)cc1	761744128	YYYRTIWIVCBXHF-UHFFFAOYSA-N	411.552	4.609	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C3CCCCC3)nn2C)c1C	764162927	UXDIQLRAAUSRCA-RHLNUJDMSA-N	423.561	4.639	50	20	HJGD	
COc1ccc(-c2nc(C=NNC(=O)CSc3ccc(Cl)cc3)cs2)cc1	767033516	OYKXJDDLWBIRKD-UHFFFAOYSA-N	417.943	4.715	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1ccc(Br)cc1Br	768481350	LBOWVTYJZSUINF-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(Cl)cc1C(F)(F)F	769828216	CVYVXSORIZBDSI-UHFFFAOYSA-N	406.791	4.516	50	20	HJGD	
O=C(CCCc1cccc(C(F)(F)F)c1)NNc1ccc(-c2ccccc2)nn1	771737897	URFVKMADUQQDMC-UHFFFAOYSA-N	400.404	4.628	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)ccc1NC(=O)OC(C)(C)C	772475053	QCYILTMVXWXACP-UHFFFAOYSA-N	419.485	4.556	50	20	HJGD	
CS[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773333736	IRARWCRAIVUVPD-WDEREUQCSA-N	404.426	4.683	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1cnc2ccccc2n1	774776109	QOLWUNNYUIZERY-UHFFFAOYSA-N	401.904	4.534	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1	779280489	FRMVHNDGFBVVMQ-XHDPSFHLSA-N	404.732	4.503	50	20	HJGD	
COc1ccc(NNC(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)nc1	781005488	XMFPPVBZAOBOAU-NSHDSACASA-N	417.922	4.563	50	20	HJGD	
COC(=O)COc1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	782189788	UVTDBKKPAUSKIW-JYRVWZFOSA-N	418.396	4.931	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)C(=O)NCc1cccc(Cl)c1	786044534	MYEMFTUACKHUDZ-GZTJUZNOSA-N	408.864	4.505	50	20	HJGD	
COc1cc(NNC(=O)c2cc3cc(C)cc(Br)c3o2)ccc1Cl	790186123	FNDXDDHBPMQVAA-UHFFFAOYSA-N	409.667	4.923	50	20	HJGD	
CN(C)c1ccc(-c2cncc(C(=O)NNc3cc(Cl)cc(Cl)c3)c2)cc1	791726092	CJYFQILWRFYICY-UHFFFAOYSA-N	401.297	4.878	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	797399205	VHMXNFPVHWJIND-GXDHUFHOSA-N	415.346	4.829	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	799520718	LOCJLDNFLUASSC-UHFFFAOYSA-N	422.699	4.646	50	20	HJGD	
COCCC[C@@H](CNC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccc(Cl)cc1	804128145	TZVRVMUWDIFTMY-DYGKOUCMSA-N	400.881	4.713	50	20	HJGD	
O=C(NNc1ncccc1F)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	804219299	FNDCLYQRNQVZPU-UHFFFAOYSA-N	416.412	4.957	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)cc1OCC	805384197	ABUKPCIBWXXNFL-UHFFFAOYSA-N	407.854	4.501	50	20	HJGD	
Cc1cccc(Oc2ccc(NC(=O)NNc3nccnc3C3CCC3)cn2)c1C	806303216	RVPNZCZIMPTVSW-UHFFFAOYSA-N	404.474	4.697	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C/C(C)=C/c2ccccc2OC(F)F)o1	811639918	KCEDUJIPSPLRKW-CSTQMSLISA-N	405.445	4.542	50	20	HJGD	
Cn1cnnc1SCc1ccc(C(=O)NN=Cc2ccc(C3CCCC3)cc2)cc1	812223133	WODXESLFCZRHNW-UHFFFAOYSA-N	419.554	4.529	50	20	HJGD	
O=C(NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)Nc1nccs1	875392244	FIXPAIUXPDSASR-UHFFFAOYSA-N	418.931	4.555	50	20	HJGD	
O=C(NN=Cc1ccc(OCc2ccncc2)cc1)c1cc2c(s1)CCCCC2	915956150	PQBWTJDYYJVBKF-UHFFFAOYSA-N	405.523	4.755	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2ccccn2)nc2ccccc12	917213400	IJSDNGJRMQGPAZ-UHFFFAOYSA-N	419.828	4.615	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NN=Cc2cccc(Oc3ccccc3)c2)CC1	1116084547	RCTMSQPXEZXDEB-UHFFFAOYSA-N	423.513	4.576	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(COc3ccccc3[N+](=O)[O-])o2)c(C)n1CC(C)C	1118132044	NZXILNJORGWVBA-VCHYOVAHSA-N	421.457	4.695	50	20	HJGD	
CN1CCN(c2ccc(/C=C(\C#N)C(=O)c3c(Cl)cccc3Cl)cc2F)CC1	1319161301	NAQGUQNKSOXSCR-RVDMUPIBSA-N	418.299	4.674	50	20	HJGD	
C[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NCC(F)(F)F	1321136477	QPSPIOCUFGBYEJ-ZETCQYMHSA-N	415.306	4.533	50	20	HJGD	
CCC1(C(=O)NC2(c3ccc(NC(=O)[C@H](C)CBr)cc3)CCC2)CCC1	1786070642	KFKJJEDGOAZOPE-OAHLLOKOSA-N	421.379	4.732	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccco3)CCC2)cc1	1790489540	WRFSWPNNZIOONI-SQUSKLHYSA-N	421.324	4.663	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Br)cc2)CCC1	1791434433	JVZXVAVFSMYXSY-CRAIPNDOSA-N	419.363	4.672	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)Nc1nccs1	6210144	HYLQXFDWNMHVQZ-GXDHUFHOSA-N	408.870	4.594	50	20	HJGD	
N#CC(=C\c1ccc(N2CCCCC2)o1)/C(O)=N/c1nc(-c2ccncc2)cs1	26395223	MSWQWSGEHLYJPN-FOWTUZBSSA-N	405.483	4.984	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c1C	34746869	MAQXAXDBJKGSER-JAIQZWGSSA-N	418.493	4.889	50	20	HJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c(F)c2)cc1	727263943	KNARVRXPIBZSBQ-LCJWNIEWSA-N	407.489	4.721	50	20	HJGD	
COC(=O)c1ccccc1-c1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)o1	727781090	DGRFIGMSNXFMQD-UHFFFAOYSA-N	417.248	4.804	50	20	HJGD	
C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)C(C#N)=C1Nc2ccccc2N1	729680532	VCQWAJHBJNLERB-LBPRGKRZSA-N	405.458	4.538	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1OCCC(C)C	732714916	HIZBZUAFUWNRDW-MHWRWJLKSA-N	410.436	4.580	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](O)c2ccccc2Cl)c(C)n1CCC(C)C	740928886	MIARZZJPIBAYKI-BHSBJAHRSA-N	413.949	4.561	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)C(F)(F)c1cccc(Cl)c1	741979242	ZZNOZNFJDSXZQX-UHFFFAOYSA-N	411.580	4.616	50	20	HJGD	
COc1ccc(F)cc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	742004972	ICTNCYLXBOPLQL-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	743310707	CXWJGHNLZCNQTD-VQTJNVASSA-N	413.304	4.640	50	20	HJGD	
N#Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)cc1C(F)(F)F	746896685	OJSKFCICACBHRD-LSDHHAIUSA-N	424.220	4.586	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccccc3F)c3ccccc3n2)cc1OC	748056276	PNGIEYNYKJBUSK-UHFFFAOYSA-N	417.440	4.815	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)/C(=C/c1ccco1)NC(=O)c1ccccc1	748510486	HOCDLXQOIFURCQ-PDGQHHTCSA-N	416.264	4.501	50	20	HJGD	
C[C@H](CCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	749875070	SHODHTBLSDXDMP-YYTOJMEDSA-N	423.520	4.681	50	20	HJGD	
O=C(NCCCCN1CCC[C@@H]1CO)Nc1ccc(S(F)(F)(F)(F)F)cc1	752976952	IBLYZLLXPGDMEG-CQSZACIVSA-N	417.444	4.702	50	20	HJGD	
Cc1noc(C)c1COc1ccccc1C(=O)NNc1cc(C(F)(F)F)ccc1F	754153740	LKBHNIGBXWJEGX-UHFFFAOYSA-N	423.366	4.785	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1coc(-c2ccc(C(F)(F)F)cc2)n1	756200782	ZYJAMTNSHBAVRJ-DHDCSXOGSA-N	414.339	4.716	50	20	HJGD	
Cc1coc(-c2cc(NC(=O)NNC(=O)Cc3ccc4ccccc4c3)ccc2C)n1	757710248	VXXDTBWEBRTVPF-UHFFFAOYSA-N	414.465	4.507	50	20	HJGD	
N#CCOc1cccc(CC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1	760366999	CCXDYDKJVUAJFM-KRWDZBQOSA-N	414.836	4.989	50	20	HJGD	
O=C(NN[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1ccc2ccccc2c1	762633916	KQHUOQXLUAXPPU-QHCPKHFHSA-N	420.472	4.914	50	20	HJGD	
CN(CCC1CCOCC1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762671427	GKSFJNMCHWULSD-UHFFFAOYSA-N	416.412	4.558	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc(C(F)F)cc2)c(C)n1C[C@@H]1CCCO1	764502490	DGECTGBLVDDAER-IQKNENRKSA-N	414.452	4.872	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCOC4(CCC4)C3)c2C)c1	769341077	MNZVAZYTMZPZOR-QJUACMODSA-N	403.526	4.527	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1	769947193	UHUIEWLGJFDHOH-UHFFFAOYSA-N	405.241	4.987	50	20	HJGD	
COC[C@@H]1CCCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773566489	UADIRTAPUCHHST-GFCCVEGCSA-N	416.412	4.558	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(Oc2ccccc2)c1	773762010	DMNLDVMVOVPSAP-UHFFFAOYSA-N	415.371	4.580	50	20	HJGD	
COC[C@H](C)n1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1	777659084	HWJNYHRCNCENII-JTQLQIEISA-N	421.413	4.549	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c(C)c1	777768685	MULSJGBPIMBNLZ-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
CC(C)Sc1cc(Br)ccc1C=NNC(=O)c1cccc([N+](=O)[O-])c1	779754995	JNIASUUUKAMVPT-UHFFFAOYSA-N	422.304	4.622	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1csc(Cc2cccc(F)c2)n1	780635304	WGDIYPJRCCCKAE-UHFFFAOYSA-N	411.380	4.529	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2nc3ccccc3o2)c(C)n1C[C@@H]1CCCO1	781805321	GCUUUVCGWNZRPL-WFBRRHHDSA-N	419.481	4.637	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(/C#N)C(=O)c3c[nH]c4ccccc34)cnc12	783701515	XZUOCQZVJDTIQF-QPEQYQDCSA-N	405.255	4.676	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)c([N+](=O)[O-])c1	788516672	QXXXCQIBZUCASA-OAHLLOKOSA-N	407.426	4.500	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1cccc(C(F)(F)F)n1	790766112	AIASCQONKQDOTD-UHFFFAOYSA-N	424.423	4.523	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ncnn2C(C)C)c(C)n1-c1cccc(Cl)c1	791044380	MLRONQWSCKXPEL-GIJQJNRQSA-N	423.904	4.570	50	20	HJGD	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NNc1cc(Cl)cc(Cl)c1	791719037	FDURSFAHUZPMFN-UHFFFAOYSA-N	417.318	4.862	50	20	HJGD	
COC(=O)c1nc([C@@H]2CCCN2C(=O)CCCC[C@@H]2CCSS2)sc1C	792556552	NWJHFLHXIMYYAK-KGLIPLIRSA-N	414.618	4.616	50	20	HJGD	
COCc1nc(C(=O)NNc2ccc(C(F)(F)F)cc2)c(-c2ccccc2)s1	799705934	RYHWIKOEVQXBLR-UHFFFAOYSA-N	407.417	4.732	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1ccnc2ccccc12	801502054	WEZYCDJHKIAEPQ-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
O=C(CSc1ccc(F)cc1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804208492	NPGHJXGQIOUKAL-UHFFFAOYSA-N	422.407	4.537	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1sc(C(C)(C)c2ccccc2)nc1C	805387192	XUNJBBZPSFBBLP-UHFFFAOYSA-N	410.499	4.751	50	20	HJGD	
Cc1ccccc1-n1cc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)nn1	806574026	ZJJCUPCZNKXUAM-ZSOIEALJSA-N	400.335	4.524	50	20	HJGD	
C[C@H]1C[C@H](C=NNC(=O)c2ccc(Cl)cc2Cl)CCN1C(=O)OC(C)(C)C	807956800	BZFHFMUTGQKVCE-QWHCGFSZSA-N	414.333	4.745	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)C(=O)NNc3c(C)cccc3C(C)C)cc2)cs1	813047311	UKERMQWYJWAHQB-UHFFFAOYSA-N	408.527	4.632	50	20	HJGD	
Cc1ccc([C@@H](NC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)C2CC2)cc1	813543587	OEEDTNGUGPVBLD-LJQANCHMSA-N	420.538	4.522	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2nccnc2cc1F	817016485	XKABXUXIXIVGPS-UHFFFAOYSA-N	418.272	4.563	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2coc(-c3cccs3)n2)c(C)n1CC(C)C	841876943	JPQRVJONQRUDCM-GIJQJNRQSA-N	408.527	4.701	50	20	HJGD	
COc1ccccc1Nc1ccccc1C(=O)NNc1cc(C(F)(F)F)ccn1	857513550	FSXLYUJKELARHY-UHFFFAOYSA-N	402.376	4.610	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cn3cccn3)c2)c(C)n1CC(C)C	914736401	KRDBHEMDURRVFP-XKZIYDEJSA-N	401.514	4.551	50	20	HJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1	916129638	QAMREDIPXNOTIE-WMZJFQQLSA-N	411.049	4.609	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1	916131174	DMHWUSYHYLJFIR-AQTBWJFISA-N	401.426	4.699	50	20	HJGD	
COc1ccc(NC(=O)c2ccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)cc2)cc1	916646807	OUMPDRDYUPGZGB-JXAWBTAJSA-N	415.424	4.632	50	20	HJGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)CCSc1ccc(F)cc1)c1ccc(F)cc1	918218721	NBXAVTVQTLKSEF-LJQANCHMSA-N	421.513	4.565	50	20	HJGD	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	918546303	QCGLZVSASTWASO-UHFFFAOYSA-N	416.525	4.877	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2cc(F)ccc2F)c1C	918817696	IQAKHHANIGGTMJ-JLYGDYLGSA-N	402.441	4.802	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2cccc(OC(C)C)c2)cc1	921262128	QGFSFMJEGQKIDC-DEDYPNTBSA-N	400.482	4.822	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCSC3)CCC2)cc1	1786447934	SMQHARMKOQWRLG-CRAIPNDOSA-N	408.995	4.671	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCSC3)CCC2)cc1	1786447938	SMQHARMKOQWRLG-QAPCUYQASA-N	408.995	4.671	50	20	HJGD	
Cc1cccc2[nH]c(C(=O)NC3(c4ccc(NC(=O)[C@H](F)Cl)cc4)CCC3)cc12	1788584594	FPSVTICROGYTSA-IBGZPJMESA-N	413.880	4.758	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCCCn3cccc3)cc2)CCC1	1789603761	BABITKVLNLUIFF-HXUWFJFHSA-N	415.965	4.810	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)c(C)c1	1814697418	FIPFBCIHSNEWGI-GOSISDBHSA-N	416.953	4.597	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1cccc2ncccc12	14328799	LHHZMTIBIWJFPQ-UHFFFAOYSA-N	424.485	4.586	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1	18945751	WCXKDWSSAWHGOG-UHFFFAOYSA-N	411.552	4.754	50	20	HJGD	
C[C@H](Sc1nnc(-c2ccccc2F)[nH]1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	206135049	QPAPAJSESBSMCV-YODGCNRUSA-N	423.498	4.613	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(OC)c2)ccc1OCC(C)C	212139362	YMUJRRNQIQYUTE-WQRHYEAKSA-N	424.497	4.683	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cl)c1C	214223229	IGJAKJXEXSONLM-JIHKLPAASA-N	413.905	4.646	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1	725727950	QTAAAZCCVRCQBX-PGMHBOJBSA-N	415.493	4.738	50	20	HJGD	
COc1ccc2cc(/C=C/C(=O)NNC(=O)c3c(Cl)cccc3Cl)ccc2c1	727793359	FAQXRSIQMCFLNY-UXBLZVDNSA-N	415.276	4.630	50	20	HJGD	
CC(C)Cc1ccc(C(=O)CCC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	727804930	UMJMOZCBIDIVKZ-UHFFFAOYSA-N	421.324	4.616	50	20	HJGD	
CN(Cc1csc2ccccc12)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727846775	XVUOPHWOMOJJKL-UHFFFAOYSA-N	408.310	4.695	50	20	HJGD	
N#C/C(=C\c1cccc(OC(F)(F)F)c1)C(=O)Nc1nc(-c2ccncc2)cs1	727973767	ATCJJTPJBDHXMF-RIYZIHGNSA-N	416.384	4.649	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	728613860	LJAZSXGAKBBJNL-UHFFFAOYSA-N	416.506	4.599	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)N(CC(F)(F)F)C1CC1	732714823	FUEVSTDCBWGMQV-WQRHYEAKSA-N	400.400	4.726	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1	733083487	KDHQGYUDWZBABV-FBJMNJBLSA-N	404.451	4.503	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCN(C2CCC2)CC1	733618661	JGYTUBUWWHQZEV-HNNXBMFYSA-N	407.889	4.608	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Br)c(C)c2)ccc1OCC(C)C	734254905	OPDWYIVEFUQZQU-UHFFFAOYSA-N	407.308	4.558	50	20	HJGD	
CCc1cc(NNC(=O)c2ccc(Oc3ccccc3)cc2)nc(-c2ccccn2)n1	734357077	NXDHJLALHRGXAO-UHFFFAOYSA-N	411.465	4.650	50	20	HJGD	
CCc1cc(NNC(=O)c2sc3cccc(F)c3c2C)nc(-c2ccccn2)n1	734357408	TUHKNKQAJJOZRO-UHFFFAOYSA-N	407.474	4.520	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)c1C	734783902	WPKMFYWTBYKTSA-MHIQDMOBSA-N	418.585	4.764	50	20	HJGD	
CC(C)(C)OC(=O)Cc1cccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c1	743266889	GNRLVUAPSPQUMD-UHFFFAOYSA-N	423.962	4.543	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC(c4ccccc4C)C3)s2)cc1	743434380	WRMDOLBNYDOFQC-UHFFFAOYSA-N	405.523	4.978	50	20	HJGD	
CC[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1nc(C(F)(F)F)cs1	745935813	RHALVLUAZBFPMF-JTQLQIEISA-N	410.368	4.541	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cnc(-c2ccccc2Cl)s1	747706060	RWBOMSOQXUENJG-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccc(NC(=O)c2cccnc2)cc1	748753848	YNRSSFAGOQHFOO-LJQANCHMSA-N	415.584	4.664	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1	749223258	KWWJUVNNZOWFLX-VKAVYKQESA-N	417.490	4.945	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(F)(F)F	750895081	ZXSFYHKVAOFVIU-XNTDXEJSSA-N	420.387	4.581	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cnc(-c3cccs3)s2)cc1	751513954	UBOJACFQJXFUDV-UVTDQMKNSA-N	409.492	4.594	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn(-c3ccccc3)c2Br)cc1	760449566	GIGUFPRGAHOUHH-UHFFFAOYSA-N	413.319	4.689	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)c1C	760781614	PCAICTRBQLORKU-DMVFFGLYSA-N	422.451	4.619	50	20	HJGD	
CCOC(=O)C1CCN(C(=O)CNc2cccc(S(F)(F)(F)(F)F)c2)CC1	762535538	ZSPIACTXYIKIJW-UHFFFAOYSA-N	416.412	4.558	50	20	HJGD	
Cc1cnc(C2CCN(C(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)CC2)s1	762732637	IFLVQUNFDSIOSK-SRZZPIQSSA-N	410.587	4.839	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Br	765613133	HPYSXODPXILIFE-PXNMLYILSA-N	409.243	4.666	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(F)cc1-c1nc(C2CC2)no1	770059445	DAMOGUDEAOPWME-UHFFFAOYSA-N	410.434	4.511	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1OC	772174863	DXQGKOXVKBHOMP-BASWHVEKSA-N	408.198	4.534	50	20	HJGD	
C[C@@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)C1CN(C(=O)OC(C)(C)C)C1	776596318	JRXRAFWEDCRSEO-SECBINFHSA-N	422.740	4.593	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3ccsc3)CC2)c1C	777081100	MYLIMHUAZFSJNN-QQZPLFJDSA-N	411.571	4.687	50	20	HJGD	
Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4CC=C(C#N)CC4)cc3)sc2c1	779589927	ITTGOJVVDRMAQZ-INIZCTEOSA-N	402.523	4.754	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1cc2sc(Nc3ccccc3)nc2s1	780737871	DSFFNYPAVVEBDS-UHFFFAOYSA-N	424.507	4.645	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCC2)cc(Br)c1OC(F)F	781556323	WUASXAXSQFFHFB-SDQBBNPISA-N	400.219	4.725	50	20	HJGD	
CCN(CC)C(=O)CCC1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	782733296	PFNQUYFGIHJGKP-SFHVURJKSA-N	400.654	4.588	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cn(-c4ccc(Cl)c(Cl)c4)nn3)n2)cc1	783701009	GWWCZWOIZPLKSI-ZSOIEALJSA-N	423.263	4.997	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1	787531002	VHNDMJCIUMKQTG-MPCIYJAUSA-N	415.262	4.564	50	20	HJGD	
O=C(NNc1ncncc1F)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1	814624429	YEDZAMALMFKYEQ-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	817007485	DMHCRTZDWGCSRA-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
CC(C)n1ncc2cc(C=NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)c(Cl)nc21	874086923	PZBKGBFMNAYPLV-GFCCVEGCSA-N	415.950	4.616	50	20	HJGD	
COc1c(Br)cc(/C=C(\C#N)C(=O)C(C)(C)C)cc1Br	915982644	SKOOZHVLINPBTM-BJMVGYQFSA-N	401.098	4.742	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2c[nH]c3c(CC)cccc23)cc(OCC)c1OCC	916289017	SQNMPMVUIUADDA-UHFFFAOYSA-N	423.513	4.690	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NNc1ccccc1C(F)(F)F	916998632	RFRZKBCYGOOFEC-UHFFFAOYSA-N	422.838	4.847	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC(=O)c1ccc2ccccc2c1	917544556	BDCJGVXOYGEINS-UHFFFAOYSA-N	404.420	4.684	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)Cc2cccc(Br)c2)cc1	920746208	AGIITWUCBZQXCD-GYZOOYGHSA-N	413.315	4.502	50	20	HJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc1[N+](=O)[O-]	1317830310	VJCHHUJPGUKIIA-LGMDPLHJSA-N	422.448	4.952	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Br)CCC2)cc1	1789457878	DLYKQSSSGSAIJZ-MAUKXSAKSA-N	419.363	4.672	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C)CCCCC2)[nH]n1	1815324662	TZUFWODEZDNJGY-NVXWUHKLSA-N	408.974	4.780	50	20	HJGD	
CCCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](Cl)CC)n[nH]2)cc1	1820858146	KIRXTFMUYSONOW-MJGOQNOKSA-N	416.953	4.686	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)CC1	1823718879	WDFAYQLJKVMJSX-KTEGJIGUSA-N	423.022	4.789	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Cc2ccccc2)CC1	1832037218	BEBCOZLGMBBQIM-YUXAGFNASA-N	419.009	4.502	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CCc2cccc3ccccc23)c1C	303158027	UONXPOFDWXQQAO-ULJHMMPZSA-N	415.537	4.513	50	20	HJGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	727934161	BTMYLONYMAVWDC-OTYXRUKQSA-N	406.861	4.831	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)c1c[nH]c2cc(F)ccc12	728439749	FHKCXCUCKSUHEI-ACAGNQJTSA-N	417.421	4.949	50	20	HJGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(-c3ccccc3Br)s2)c1	728781545	QBRNPSNQJRVQLI-UHFFFAOYSA-N	410.296	4.813	50	20	HJGD	
Cc1ccccc1-c1cccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1	729643986	MSXHXCHNIXTPPS-JWGURIENSA-N	409.489	4.910	50	20	HJGD	
CC(C)(C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1	731151115	RCYYBLSIEZWFLB-UHFFFAOYSA-N	411.845	4.936	50	20	HJGD	
CN(C(=O)CCCC[C@@H]1CCSS1)[C@H]1CCN(c2ccccc2Cl)C1=O	732120169	ODNGZOYSHRUXDR-PBHICJAKSA-N	413.008	4.618	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1sc(-c2ccco2)nc1-c1ccccc1	733809954	NVHSMRBXXUSBSP-UHFFFAOYSA-N	413.462	4.770	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1ccccc1Oc1ccc(Cl)cc1Cl	734261653	RNXUNUKTLCQACA-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
O=C(NC[C@@H](O)c1ccsc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	740435460	XRBOXGQIMCVYOQ-DGCLKSJQSA-N	410.870	4.823	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F	741669917	RUYNDEVVEZYUTK-JTQLQIEISA-N	401.772	4.904	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)C1=Cc2ccccc2OC1	742005254	QSMWHSCCPHMNGB-UHFFFAOYSA-N	414.086	4.675	50	20	HJGD	
Cc1ccc2oc(C(=O)NNc3c(Cl)cc(Br)cc3Cl)cc2n1	742005825	IOWTZMLUTFLJPA-UHFFFAOYSA-N	415.074	4.962	50	20	HJGD	
C[C@@H](CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)Sc1ccccc1	743691708	RXILZNFLRHQRFF-KRWDZBQOSA-N	420.538	4.870	50	20	HJGD	
CN(C)Cc1cccc(NC(=O)NNc2nc3cc(C(F)(F)F)ccc3s2)c1	743814173	WPNDTHDVSWUHCV-UHFFFAOYSA-N	409.437	4.525	50	20	HJGD	
COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)c2ccccc2C)cc1	744762110	VVZOKCFCXJSARN-UHFFFAOYSA-N	424.504	4.679	50	20	HJGD	
Cn1cc(C(=O)NN=Cc2ccc(-c3nc4ccccc4s3)o2)c2ccccc21	744781861	JXMHXAOCXHPCHI-UHFFFAOYSA-N	400.463	4.812	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=C(Cc1ccccn1)c1ccc(Cl)cc1	745194396	UPVCOFJKABILDA-UHFFFAOYSA-N	402.885	4.522	50	20	HJGD	
O=C(NNc1ccccc1F)c1ccc(COc2ccc(Br)cc2)o1	748056210	IUABICUSLMYIDB-UHFFFAOYSA-N	405.223	4.517	50	20	HJGD	
CCc1cccc2c(C(=O)[C@@H](NNC(=O)c3ccccc3C)c3ccccc3)c[nH]c12	750298129	BKLSWPVXGWHMKW-DEOSSOPVSA-N	411.505	4.897	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)nn1-c1ccc(Cl)c(Cl)c1	753315712	JKRYTUKBAJYSOW-UHFFFAOYSA-N	420.687	4.770	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1Cl	753318793	USUPLQRWJMDXIH-UHFFFAOYSA-N	410.260	4.853	50	20	HJGD	
N#C/C(=C/c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1nc(-c2ccncc2)cs1	755407478	MBCHCDMZTPSYIE-QPEQYQDCSA-N	418.375	4.909	50	20	HJGD	
N#C/C(=C/c1cnc(C2CCC2)s1)c1nc(O)c2cc(Br)ccc2n1	760210128	KHFUYIKNOLPMAQ-WDZFZDKYSA-N	413.300	4.886	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)NNc1ccccc1C(F)(F)F)c1ccccn1	760859611	IFBGRIQFMFVOHE-IBGZPJMESA-N	416.403	4.525	50	20	HJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3ccc(OC(F)(F)F)cc3)ccc2c1	761580981	KRWGILJADQNDKP-ZDUSSCGKSA-N	404.388	4.994	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ncc(-c2ccccc2F)o1	768247821	XVONKHGQZTUTGN-UHFFFAOYSA-N	418.384	4.813	50	20	HJGD	
Cc1nnc(-c2ccc(NC(=O)NNc3ccc(Br)cc3Cl)cc2)o1	770052877	RTXLKJMZJLINAO-UHFFFAOYSA-N	422.670	4.610	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc2ccc(Br)cc2n1	771522227	ZAZJFGCOCIZONC-RVDMUPIBSA-N	422.282	4.942	50	20	HJGD	
O=C(NN=Cc1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1Br	771877725	XGNVUIVKVLLVRK-UHFFFAOYSA-N	407.136	4.510	50	20	HJGD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCS1	773348113	GTKJPFQASZEIKC-LLVKDONJSA-N	404.426	4.637	50	20	HJGD	
CCOCCC1(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	773427103	XKKRNFLIIMPXMA-UHFFFAOYSA-N	416.412	4.606	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)C(=O)Nc1cccc2ccccc12	774121521	RKDZJAJHKJDBCS-LGMDPLHJSA-N	424.909	4.832	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)c1nc(-c2ccncc2)cs1	774127961	YJNYYFKKDARCOO-XNTDXEJSSA-N	415.927	4.716	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(c3ccsc3)CC2)c(C)n1C[C@H]1CCCO1	777085430	GKSFHJJZVKZSAD-CXSSSTRGSA-N	423.582	4.659	50	20	HJGD	
Cc1nc(COc2ccccc2C(=O)NNc2nc3ccccc3cc2C)cs1	777477430	OEGKHUSYJTZDRV-UHFFFAOYSA-N	404.495	4.644	50	20	HJGD	
CC(C)C[C@@H](CCO)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777984644	NQBUJEMHWDLKGG-GFCCVEGCSA-N	411.458	4.667	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1	782185801	IMZRZKBCEPTLLG-UHFFFAOYSA-N	422.794	4.521	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)cc1	799085240	NLVZAQQUBIWEFZ-SFQUDFHCSA-N	406.873	4.779	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1	799759633	UTABWXSPUNVHPO-UHFFFAOYSA-N	423.586	4.539	50	20	HJGD	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNC(=O)Nc1ccccc1	801986100	XMINFYFTVIPABL-SREVYHEPSA-N	417.309	4.590	50	20	HJGD	
CCc1c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c(C)c1C(C)=O	817015673	MGVFSODKJGYIKO-UHFFFAOYSA-N	421.341	4.883	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1[C@H](C)C1CC1	817016037	COOVMXZBDZFTLO-SNVBAGLBSA-N	420.357	4.957	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1C	920012410	FZNQLZWTIHMSHL-XOYGFPHKSA-N	409.530	4.613	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)s2)cc1OC	1317689244	FZMVAVRNZAXPDE-CYVLTUHYSA-N	418.518	4.698	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](OC)c3ccccc3)cc2)CCC1	1787714405	YRPFZTMZFJXOJV-VQTJNVASSA-N	414.933	4.526	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C3(c4ccccc4)CCC3)CCC2)cc1)[C@@H](F)Cl	1788588084	YVWIJATYTXSWKI-LJQANCHMSA-N	414.908	4.777	50	20	HJGD	
C=C(C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1)C(F)(F)F	1791302813	YZVGURSUTGGHKW-UHFFFAOYSA-N	402.844	4.504	50	20	HJGD	
Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c1F	1823900565	LLJFEXGNJKJPQT-LJQANCHMSA-N	422.972	4.632	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(OC)c2)cc1Cl	7164885	QZLRMWNPSKSSNP-WUXMJOGZSA-N	407.253	4.565	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc3ccccc3n2)c1C	7207288	FMOQNAYCYVRUSM-KKJJZKEWSA-N	403.482	4.511	50	20	HJGD	
Cc1nnc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)n1-c1ccccc1	23591114	LSLHYXWKUBRKOQ-GJEKEPIOSA-N	419.535	4.578	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc(Br)c1O	23612219	UDNFDRFMXKFGMI-IZZDOVSWSA-N	420.213	4.972	50	20	HJGD	
O=C(NN=Cc1ccccc1OC(F)F)c1ccccc1OCc1ccc(F)cc1	254836358	NDSZRPRTFDHSPD-UHFFFAOYSA-N	414.383	4.770	50	20	HJGD	
CC(C)(C)c1ncc(C=NNC(=O)c2ccc(Br)cc2Cl)s1	728782176	HXYHHNYEGDLWIC-UHFFFAOYSA-N	400.729	4.620	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2SCCC#N)c1C	730982714	VFJCOBNMBUKIKI-UOBPLZBXSA-N	422.554	4.864	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ncc(-c3cccc(Br)c3)[nH]2)cc1	731937737	LJRMRIBSTVCKRZ-WJDWOHSUSA-N	421.298	4.947	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2c(C)noc2C)c1C	733764178	PTYWYBNNJOWRED-YQODDJSKSA-N	402.498	4.792	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3nccc4sccc34)cc12	734248765	VWKHYTBNCFOWPP-UHFFFAOYSA-N	405.508	4.762	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1	738511362	YYHYQSKKNQROSF-OAHLLOKOSA-N	414.427	4.742	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2OCC2CC2)c1C	740808799	MOYWPLBQDWYLSZ-CTPANLQCSA-N	407.514	4.647	50	20	HJGD	
CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	741102578	CXEAADZKLIPPQC-PSTGCABASA-N	422.900	4.929	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)c1nc2c(C)ccnc2[nH]1	741474233	WHADTLVDKXWDLM-OQLLNIDSSA-N	406.852	4.676	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccccc1C(F)(F)F	741673060	KGKBTSAQTXZUBD-CQSZACIVSA-N	400.400	4.813	50	20	HJGD	
COc1cc2ccccc2cc1C(=O)NNc1c(F)cc(F)cc1Br	741981388	GJHSGANTYQCYBK-UHFFFAOYSA-N	407.214	4.646	50	20	HJGD	
COc1ccc(Cl)c(NC(=S)NNC(=O)c2cc3c(s2)CCCCCC3)c1	742976428	FPWNJEHDMQFZOB-UHFFFAOYSA-N	423.991	4.701	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C\c3ccc(Oc4cnccn4)cc3)nc(O)c2c1C	743058498	IBFYWRVPJSGRQZ-DHDCSXOGSA-N	401.451	4.660	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1ccc(Br)cc1Cl	743434583	SZJZFFZGMSJFFL-UHFFFAOYSA-N	401.691	4.949	50	20	HJGD	
O=C(NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(Cl)cc1F	747817946	LQHKZMKFBIFJJA-NRFANRHFSA-N	421.859	4.819	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccn(-c2cccc(C(F)(F)F)c2)n1	748017693	LUYRAOITBVYEHP-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)c2ccccc2C)c1C	750774883	JPCLOHFHLMESBX-PPRFWAEMSA-N	407.558	4.622	50	20	HJGD	
N#Cc1ccc(NCCNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)nc1	752972733	JPNDBSZCEKJUOZ-UHFFFAOYSA-N	407.368	4.844	50	20	HJGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NNc1ccc(C(F)(F)F)nn1	755193439	FFCQWZHDQATNEQ-UHFFFAOYSA-N	423.464	4.597	50	20	HJGD	
C[C@H](OC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1nc2ccccc2n1C(F)F	769981586	IKEZCKBKUGJEHQ-RVJKNRRKSA-N	413.262	4.989	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	771693152	STKMITWQFNMVKI-UHFFFAOYSA-N	406.392	4.747	50	20	HJGD	
Cc1[nH]nc(NC(=O)CCCC[C@@H]2CCSS2)c1-c1ccc2c(c1)OCCO2	772484438	PJRMJTDIACGXPB-OAHLLOKOSA-N	419.572	4.809	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc(-c2ccccc2)nn1-c1ccccc1	775257611	PKULJJLETODKLZ-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NNc1ccc2ccccc2n1	775567763	GRAJSQQQISBGLH-QGZVFWFLSA-N	417.513	4.706	50	20	HJGD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NNc1ncc(Cl)cc1Cl	775617683	PZMHUZXFTNDXJI-UHFFFAOYSA-N	410.305	4.830	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Br)c2)cc1	775629431	HSMWRZGKNRQEOW-MDWZMJQESA-N	418.678	4.607	50	20	HJGD	
COc1sc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)cc1Br	776257432	LCRANCCEMRGGSE-UXBLZVDNSA-N	414.227	4.910	50	20	HJGD	
CCOc1ccc([C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C(C)C)cc1OCC	776617940	WBVMOINMAYPKHT-FYVGXUMQSA-N	408.498	4.610	50	20	HJGD	
COc1cc(-c2ccccc2)ccc1/C=C(\C#N)C(=O)Nc1ccc(NC(C)=O)cc1	781101478	TYHGWSDHQSYVDK-KGENOOAVSA-N	411.461	4.866	50	20	HJGD	
Cc1nc(C)c(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)s1	782983533	SEBDIWHOSDQAHF-UHFFFAOYSA-N	422.466	4.938	50	20	HJGD	
O=C(Cc1cccc(F)c1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783462377	BXJZMEXAZAWTHX-UHFFFAOYSA-N	419.368	4.531	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cnc3c(C)cc(Br)cn23)c(C)c1	783697882	WMHJOAHDWARZHA-PXNMLYILSA-N	423.314	4.876	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1C	790085480	OKAKORBNAGLRAI-JCMHNJIXSA-N	407.558	4.614	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	791149570	HQKJDKAOMVPBAY-QWHCGFSZSA-N	412.446	4.537	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)Nc1nc2ccccc2nc1Cl	797107880	SHVGSWOCFHLQPJ-XFXZXTDPSA-N	418.762	4.727	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1nccnc1C(C)C	797759775	MJSKFYLJXGASDV-UHFFFAOYSA-N	406.273	4.627	50	20	HJGD	
Cc1nc(CSc2ccccc2C(=O)NNC(=O)Nc2ccccc2C)cs1	798312792	MBEUUBMBVJNJTB-UHFFFAOYSA-N	412.540	4.519	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1cc(-c2cncc(F)c2)ccc1C)c1ccccc1	801891315	IEYHXNRFNDRAED-HXUWFJFHSA-N	406.461	4.543	50	20	HJGD	
CC[C@H](CC(F)(F)F)NC(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	805284818	XWEZHWONDZVGRG-GFCCVEGCSA-N	421.345	4.520	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C	805372816	FRSAVSUGBIGWHW-UHFFFAOYSA-N	421.240	4.930	50	20	HJGD	
O=C(COCc1ccccc1)NN=Cc1sc(Sc2ccccc2)nc1Cl	814854167	SDKZJDLZQGPING-UHFFFAOYSA-N	417.943	4.615	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2)s1)C(=O)NCc1ccco1	844240077	NFYUGAAYLMBPSO-UVTDQMKNSA-N	413.296	4.994	50	20	HJGD	
Cc1ccc(NC(=O)NC(=O)[C@H](C)OC(=O)CCCC[C@@H]2CCSS2)c(C)c1	861788053	YVEJUNPVGVFJGN-JKSUJKDBSA-N	424.588	4.597	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1C	874973908	CPFHJTHBGQIFME-JWGURIENSA-N	418.541	4.687	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1	893803502	JLPVMSCQCWGPQY-PNWWAVQQSA-N	408.498	4.667	50	20	HJGD	
CC[C@@H](C)c1ccc([C@H](NC(=O)NNC(=O)c2ccccc2)c2cccs2)cc1	916207024	WRIFQPYXWYZNPH-IERDGZPVSA-N	407.539	4.995	50	20	HJGD	
O=C(NCc1ccc(CN2CCCCC2)cc1)NNc1ccccc1C(F)(F)F	918198722	ZBLNOMRAXCQADN-UHFFFAOYSA-N	406.452	4.518	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C	919925792	KBJDYGPOWCPPPJ-FYJGNVAPSA-N	408.502	4.767	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)C3CCSCC3)CCC2)cc1	1786013620	WCRRFJWJGPZWAO-UHFFFAOYSA-N	408.995	4.529	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-n3cccc3)c2)c1C	726934110	DIEWUICQCAVJCE-LANLRWRYSA-N	402.498	4.649	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cnc(-c3ccccc3)s2)c1C	727264724	ZCAYZKGZEDFVSN-YBEGLDIGSA-N	405.479	4.722	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)cc(C#N)n1C	729418681	BBXAPWGTALZFIV-NVNXTCNLSA-N	415.324	4.513	50	20	HJGD	
O=C(Cc1ccccc1F)NN=Cc1ccc(-c2ccc(Br)cc2)o1	731321493	ZKYVJLHQYRQPRO-UHFFFAOYSA-N	401.235	4.541	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1c(Cl)cccc1OC(F)F	732924396	YMLYVKJIOYUZFO-UHFFFAOYSA-N	421.856	4.758	50	20	HJGD	
COC[C@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C1	733177847	XQAMJPUJPVMWTC-ISRVBRPNSA-N	411.933	4.540	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)ccc1Br	734253291	QKAQXLMHSRAXEG-UHFFFAOYSA-N	411.303	4.578	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)N2CCn3c2nc2ccccc23)o1	734483159	IZSVMVQHTZWZES-SSZFMOIBSA-N	412.424	4.698	50	20	HJGD	
COc1ccc(C(=O)NNc2c(F)cc(F)cc2Br)c2ccccc12	741980625	NFLUVZHZAIPVNI-UHFFFAOYSA-N	407.214	4.646	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1	746059502	KUNQEKZJRAEGST-BVTUPMQUSA-N	409.829	4.610	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cnc(-c2ccccc2F)s1	748074770	BEWPUFIHTHDUSF-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
Cc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Br)cc3C)s2)o1	748736457	BYUZKNVBVIQGRL-UHFFFAOYSA-N	406.305	4.848	50	20	HJGD	
CC[C@H](C)Oc1cc(C=NNC(=O)c2ccc(COc3ccccc3)o2)ccc1OC	749443034	CCZNGTKZHFSGOS-KRWDZBQOSA-N	422.481	4.808	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)c(C)cc2Cl)c1C	752856975	GCQGAIQLVMNVQQ-SXGWCWSVSA-N	406.313	4.912	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1noc(-c2ccc(Cl)cc2)n1	753042704	YDQBTJJIGXBPKH-VIFPVBQESA-N	410.236	4.570	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CN(C(=O)OC(C)(C)C)C1CC1	753069643	YCDFQLSJRYNWAH-UHFFFAOYSA-N	403.548	4.723	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Cl)cc2)cnn1-c1cc(F)c(OC)cc1F	753429508	KKEPDJVOQIQMDA-UHFFFAOYSA-N	420.847	4.522	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2cc(F)cc(F)c2)c1C	755398609	JTEVJFFOWGQGKO-VSGCYCBISA-N	402.441	4.802	50	20	HJGD	
CO[C@@H](CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1	762636473	UHUCZLVBEGXJPG-HNNXBMFYSA-N	424.391	4.786	50	20	HJGD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)/C(C#N)=C1\Nc2ccccc2S1	768432109	IBPSBILZWRAOGH-LFAWPXTESA-N	401.444	4.737	50	20	HJGD	
O=C(Cc1ccc(NC(=O)NNc2ccccc2Cl)cc1)Nc1ccccc1F	770013780	KZWIKQGIUGFGBB-UHFFFAOYSA-N	412.852	4.809	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccc(OCc2ccncc2)cc1	770025727	GISZRBIQBADVBK-UHFFFAOYSA-N	418.375	4.708	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)nc2)c1C	771469378	CGWPFXDVJIEGEF-WJHGTXIHSA-N	420.485	4.568	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(Br)ccc1Cl	771675076	OAZWYIVLWBIWGJ-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COc1cc(/C=C(\C(=O)NNc2ccc(Cl)c(F)c2)c2ccccc2)ccc1O	773464601	BPXDQTRQKHNLDN-BOPFTXTBSA-N	412.848	4.877	50	20	HJGD	
C[C@H](Cc1cccc(O)c1)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777961258	MMVPPQPYVJDRHC-LLVKDONJSA-N	417.421	4.959	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(Cl)cc3Br)c(C)cc2c1	778478331	CXNJOABOMPUCGP-UHFFFAOYSA-N	420.694	4.725	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1c[nH]nc1-c1ccc(Cl)s1	779025004	SVKLLBQJYBLISX-UHFFFAOYSA-N	404.776	4.706	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1	781042831	WGODKFAHMGKVRA-UHFFFAOYSA-N	410.243	4.551	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	786612260	ZMZQUPVGUFBRGH-KSSFIOAISA-N	417.575	4.969	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	787325273	LFTMIHKBQSYHLV-VVBXCHJUSA-N	407.470	4.748	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1ccccc1OCc1ccc(Cl)cc1	788180637	CDDJDXXSHJHPQJ-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
COc1cc(NNC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)ccc1Cl	790177096	YFFGCULISAKXGQ-JTQLQIEISA-N	415.690	4.572	50	20	HJGD	
Cc1cccnc1NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	791212572	RSYNCNULMHMILS-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1	817925484	GHJZUAJUBCEACI-UHFFFAOYSA-N	405.882	4.843	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC=C(c3ccc(C)cc3)CC2)c1C	843537267	MRSJAMYPQMOFIK-PXMCARDJSA-N	417.553	4.844	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C1(c2ccc(Br)cc2)CC1	862422372	DDLGPWGFVWHQHM-UHFFFAOYSA-N	416.706	4.826	50	20	HJGD	
COc1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)ccc1OC(C)C	914843225	VCVIEOYHKDSHIB-WSDLNYQXSA-N	423.557	4.780	50	20	HJGD	
CCC(CC)[C@H](NC(=O)NNC(=O)c1ccc(Br)s1)c1ccccc1	916517573	AKHQMTUCBWMQLR-INIZCTEOSA-N	424.364	4.632	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H]2CCSc3ccccc32)c(C)n1C[C@H]1CCCO1	1344018984	YPFKTKNFNSKQQU-ZFDRCWCZSA-N	422.550	4.971	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)cn1	1788579977	IZEXVDIGYRTAMR-GOSISDBHSA-N	417.912	4.661	50	20	HJGD	
Cc1cccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824015059	NVIJXICEWABFHC-IBGZPJMESA-N	422.972	4.632	50	20	HJGD	
CCOC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1	2750514	PWBOWNATJAUKRI-CXUHLZMHSA-N	405.372	4.763	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1Cl	18144597	NVTPTHYMGZGLSY-UHFFFAOYSA-N	424.231	4.523	50	20	HJGD	
N#C/C(=C/c1ccc(OCCC(=O)O)cc1)c1nc(-c2ccc(C#N)cc2)cs1	141620547	FSYBMQDVIMNMRX-WQRHYEAKSA-N	401.447	4.599	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccccc2F)c(C)n1-c1ccc(OC(F)F)cc1	727250057	FWISLAYBNWMXHR-UHFFFAOYSA-N	401.388	4.599	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12	727711595	AHHSZCHKEZXFJO-UHFFFAOYSA-N	423.381	4.742	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(SC(F)F)cc1)c1c(Cl)cccc1Cl	727783679	BKEGJEWGGOVYET-UHFFFAOYSA-N	422.309	4.940	50	20	HJGD	
COc1ccc(NNC(=O)CCc2c(-c3ccc(OC)cc3)[nH]c3ccccc23)cc1	729272507	VNZQBPBAIVSACY-UHFFFAOYSA-N	415.493	4.928	50	20	HJGD	
Cc1cc(C)n(Cc2cccc(C(=O)NNc3ccnc4cc(Cl)ccc34)c2)n1	729514682	JXNRQCSNAUXUHE-UHFFFAOYSA-N	405.889	4.507	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c(Br)cc1O	730148760	LBDAHAZTDBAFGT-WMZJFQQLSA-N	405.248	4.976	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC(n2ccnc2)CC1	732416452	MVZBWWWUZQEINK-HNNXBMFYSA-N	418.872	4.971	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3c(C)noc3C)c2C)cc1	733763621	DIWOVZYWFJYDJX-GKXUUXLPSA-N	402.498	4.792	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1Br	734255080	ZHUKWYMESFBEBO-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C1(c2cccs2)CCCCC1	737851162	RJPYMEZIWZTHSA-UHFFFAOYSA-N	402.907	4.797	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)Cc1cccc2ccccc12)c1ccccc1C(F)(F)F	741526703	QYXPFYQNCZIKDT-HNNXBMFYSA-N	414.427	4.742	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1csc(-c2cccs2)n1	741981334	BWCDIYJNKDCWPK-UHFFFAOYSA-N	416.272	4.669	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(Oc2cnccn2)cc1	743059312	WXICPGATKOGIEQ-MHWRWJLKSA-N	420.856	4.785	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc1	744723069	FLXDSMATNSVWPI-UZGISAJGSA-N	409.433	4.735	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cnc(-c2ccc3c(c2)OCO3)s1	748009707	SELOBGYTXMTAHY-UHFFFAOYSA-N	408.266	4.603	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(C2CC2)nc2ccc(F)cc12	748059077	GOEFOACJZNAUHC-UHFFFAOYSA-N	400.251	4.771	50	20	HJGD	
Cc1ccc(-c2cncc(C(=O)NNc3ccc(F)cc3Br)c2)cc1	748073603	NKSSWRCBEIXYOP-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(-c2ccc(Cl)cc2)on1	748694546	OOOSJHCKIYSLEY-UHFFFAOYSA-N	411.767	4.693	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3ccc(C#N)c(Cl)c3)cs2)cc1	753303139	HRLPOYUUMDSBGG-UHFFFAOYSA-N	412.902	4.881	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cc(Cl)ccc3C)cc2)cc1	753766254	BHINVWKXBFHGNU-UHFFFAOYSA-N	414.914	4.547	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)c2ccc(OC)c(Cl)c2)c1C	757774324	ROMCIHWPULPYAU-BFERYNQYSA-N	415.921	4.544	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc(C#N)n1C	763080675	SNAHNGKQNSAIJT-GIDUJCDVSA-N	407.886	4.528	50	20	HJGD	
O=C(O)Cc1ccc(C(=O)/C=C/c2ccc(OCCBr)c(Cl)c2)cc1	763114979	WNXHLLUWDZWJOS-XVNBXDOJSA-N	423.690	4.637	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)c(Br)c2)cc1	768268243	FNAZEGHGNCNYDJ-XYOKQWHBSA-N	423.213	4.605	50	20	HJGD	
CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773332993	IRARWCRAIVUVPD-GHMZBOCLSA-N	404.426	4.683	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2ccc(C(F)(F)F)cn2)n1	775257936	XPNQGJIHOKWVNK-UHFFFAOYSA-N	424.473	4.915	50	20	HJGD	
CC(C)c1nccn1Cc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)c1	775519362	MBVKLYYLURXLFP-UHFFFAOYSA-N	418.423	4.617	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c(F)ccc(Br)c1F	787464407	MDHYQDPYBAPNAU-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
CCOC1CC(CCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	789615105	QLXZUFNWNFESEM-UHFFFAOYSA-N	416.412	4.604	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ncnn2C(C)C)c(C)n1-c1ccc(Cl)cc1	791042752	LLJLNKUJJBQMQD-ZDLGFXPLSA-N	423.904	4.570	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(Cl)nc3cc(Cl)ccn23)c1	794860027	MATBJZVWJUYNRN-UHFFFAOYSA-N	419.312	4.602	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cscc1Br	794878867	GBTMNHSNYULLSB-LBPRGKRZSA-N	403.301	4.581	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc(COCc2ccccc2)cc1	806302300	GMWHAPVKXKZKOA-UHFFFAOYSA-N	403.486	4.610	50	20	HJGD	
CCc1nc([C@@H](C)NC(=O)NNc2ccc(Br)cc2Cl)cs1	812038954	JENQBTWAPHYJNF-MRVPVSSYSA-N	403.733	4.509	50	20	HJGD	
CC(C)n1cnnc1CN(C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	814540267	RNLMYHCFKYYRNR-CQSZACIVSA-N	421.876	4.742	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2o1	817015459	CVZKZOZZTCOCNC-UHFFFAOYSA-N	403.282	4.931	50	20	HJGD	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NNc4ccc(Cl)cc4)cc3C2=O)c1	865979384	YCURZGUMANEKPO-UHFFFAOYSA-N	419.868	4.514	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1	898975725	LSPRLXRREYUGEZ-PFFSESEHSA-N	423.944	4.599	50	20	HJGD	
CO[C@@H]1CCCCC1=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	915939809	RBXABLZUWZTORZ-HXUWFJFHSA-N	408.527	4.530	50	20	HJGD	
CCOc1ccc([C@H](C)NC(=O)NNc2ccccc2C(F)(F)F)cc1OCC	918172411	DBLMHBFFXGWOAX-ZDUSSCGKSA-N	411.424	4.890	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc(OC(C)C)cc2)c(C)n1C[C@@H]1CCCO1	918532475	ULJUOEYYUQHWFG-MFUBYVTQSA-N	422.525	4.722	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc([N+](=O)[O-])c1	918708590	LZBMRZFKPWGOGW-UHFFFAOYSA-N	420.372	4.501	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(Br)cc2Cl)cc1	921169374	SZOBPTIHZCBIAV-DHDCSXOGSA-N	419.706	4.725	50	20	HJGD	
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cn[nH]c1-c1ccc(Cl)cc1	1115814907	YFWOYOYPBVIJGJ-UHFFFAOYSA-N	423.687	4.566	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1cn(Cc2ccccc2)c2ccccc12	1116389676	KSSDVOUCIKVNNG-UHFFFAOYSA-N	421.298	4.604	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)cccc2Cl)n[nH]1	1821144656	OIIPJIXQISFSHZ-CJNGLKHVSA-N	423.344	4.695	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cnc3ccc(Br)cn23)c(C)c1	97591125	RONHNVHKIUKVCF-NVNXTCNLSA-N	409.287	4.568	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1C	209184813	MXJCNFMDBNIQGJ-JJEHFPDLSA-N	403.530	4.812	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2nc3ccccc3s2)c1C	215317820	QAYWXARJMRUFJL-PACYTGELSA-N	409.511	4.572	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)CCCc1ccccc1	727689033	LMPMLUPQOVKTCU-UHFFFAOYSA-N	408.933	4.675	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1	727975393	DQDORHLWBAQKEJ-MHWRWJLKSA-N	405.479	4.722	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cc(Br)ccc1OC(F)F)c1ccccc1	732716585	VWVNIKQRNIHHEG-UKTHLTGXSA-N	407.214	4.620	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1cc(-c2ccccc2)nc2ccccc12	732837246	ZBBFSKACCJPBMI-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)c1C	737725227	RFHZQRNVPZZDTQ-MLPWYGTASA-N	420.557	4.676	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1	742349915	MDRVNJYHEHRJQV-FCDQGJHFSA-N	423.516	4.618	50	20	HJGD	
C[C@H](C(=O)NNc1cccc(Cl)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	742516860	ODTMGJUPNHCEIN-KBXCAEBGSA-N	403.910	4.685	50	20	HJGD	
CCOc1cccc(NC(=S)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1	742977639	LBSXZPCDCNIUGA-UHFFFAOYSA-N	415.515	4.584	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cccc(N[C@H](C)C(C)C)c2C)c1C	743413871	CHSKGMJPFDDMEF-QGZVFWFLSA-N	418.545	4.677	50	20	HJGD	
O=C(NNC(=O)N[C@H]1CCc2cc(F)ccc21)Nc1ccc(-c2ccccc2)cc1	743561408	MPCQLFKMYVVSFY-NRFANRHFSA-N	404.445	4.516	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c1	744566596	AMZDWICKEVURAH-XGHPXPSOSA-N	423.856	4.534	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cn(-c2ccccc2)nc1-c1cccnc1	748007974	KKATXSPCCYFGCV-UHFFFAOYSA-N	424.291	4.998	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3ccc(OCC(F)(F)F)cc3)s2)cc1	748701778	BLDRRERCDSLWPY-UHFFFAOYSA-N	423.416	4.517	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	749284101	MZIVNPAYOSWMPB-UHFFFAOYSA-N	406.244	4.539	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](c2ccc(CC(C)C)cc2)c2cccs2)o1	752836887	KZIAQMVBBMBMBU-FQEVSTJZSA-N	411.527	4.582	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1cccnc1Cl	754484002	VCHTYLKAOAGGGA-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)F)c(F)c1)C(=O)Nc1ccccc1Br	754680830	SCVVZKBQJFXBDG-YRNVUSSQSA-N	411.177	4.735	50	20	HJGD	
CC(=O)CC(C)(C)CC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	755842265	LUGPXHVUCUWEBF-UHFFFAOYSA-N	423.425	4.544	50	20	HJGD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)CCC2	765915538	GLYVABFNWNBXLR-QFIPXVFZSA-N	403.530	4.762	50	20	HJGD	
COC(=O)[C@@H](C)Sc1ccccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	768012379	VPYJBOQWAGVPPJ-SECBINFHSA-N	417.289	4.543	50	20	HJGD	
Cc1ccc(C)c(SCc2cccc(C(=O)NNC(=S)Nc3ccccn3)c2)c1	768577678	HGDDSEZDCWYLQY-UHFFFAOYSA-N	422.579	4.622	50	20	HJGD	
CN1C(=O)CCc2cc(NC(=O)NNc3c(Cl)cc(Cl)cc3Cl)ccc21	770027361	SJMYOYZILUHFEV-UHFFFAOYSA-N	413.692	4.704	50	20	HJGD	
O=C(NCc1nc(C(F)(F)F)n[nH]1)Nc1cccc(S(F)(F)(F)(F)F)c1	775778037	UJPYSGQPILDIND-UHFFFAOYSA-N	411.278	4.803	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(-c2ccc(C#N)cc2)n1	777870381	RXMSPWOPFLCPSM-OQLLNIDSSA-N	422.275	4.811	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cc(Cl)ccn3)c3cnn(C(C)C)c3n2)c(C)o1	778450170	UEKREOZENBFHPQ-UHFFFAOYSA-N	424.892	4.694	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1	778451265	PRXZZZVCWMKPKZ-UHFFFAOYSA-N	414.252	4.591	50	20	HJGD	
COc1ccc(NNC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)nc1	781005485	XMFPPVBZAOBOAU-LLVKDONJSA-N	417.922	4.563	50	20	HJGD	
CC[C@@H](OC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)c1ccc(Br)cc1	782628745	YNULYAOQNOOREQ-SCFJZMLDSA-N	412.287	4.569	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)C(=O)Nc1cccc(Cl)c1SC(F)F	785180438	VEUMKLJQUZHGDG-UHFFFAOYSA-N	424.231	4.529	50	20	HJGD	
CC(=O)N(c1nc(COC(=O)/C(C#N)=C/c2ccccc2)cs1)c1ccccc1F	785344104	IZYBIAHTVNRYNY-GZTJUZNOSA-N	421.453	4.617	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cccc(OCC#N)c1)c1ccc(Cl)cc1Cl	787144979	NLMIFHPGQOYUHO-GULXKOIASA-N	400.265	4.680	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1	787432078	KQXWUZNQIKTZHQ-OAIBDCNXSA-N	406.844	4.997	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1	788254903	NJVFEHRZCZKWFR-OAQYLSRUSA-N	420.538	4.757	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(N(C)C(C)C)nc2)c(C)n1CC(F)(F)F	790098439	ARACWBGEHYNWAR-RQZCQDPDSA-N	404.436	4.697	50	20	HJGD	
CC(C)(C)[C@@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO1	790454942	MCTXIOPVXQMIHQ-ZDUSSCGKSA-N	409.442	4.780	50	20	HJGD	
C=C(CBr)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1	791439360	CENDLGGPQLYXLS-IBGZPJMESA-N	408.361	4.664	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1-n1cncn1)C(=O)Nc1c(Cl)cccc1Cl	794931465	MKDHAHPRJIIENB-SDQBBNPISA-N	418.671	4.773	50	20	HJGD	
Cc1ccc(N2CCOCC2)cc1NC(=O)NN(Cc1ccccc1)c1ccccc1	797691108	BLBYXMAUJYLFHB-UHFFFAOYSA-N	416.525	4.575	50	20	HJGD	
COc1cc(OC)cc(C(=O)NN=C2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1	799470428	FENUILQBJNFTBM-AWEZNQCLSA-N	406.404	4.776	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cccc2cccnc12	801503061	JECQKMOBHRHLRE-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(COc2ccc(Cl)cc2)cc1	803427309	MGRPKWBYWHRVNF-UHFFFAOYSA-N	419.868	4.517	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(-c2noc(C(F)F)n2)cc1	806358606	UEFXJBJGSZEZFT-UHFFFAOYSA-N	415.787	4.633	50	20	HJGD	
COCCOCc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	809145689	CZPJNJCGZUQYMR-MTJSOVHGSA-N	401.491	4.909	50	20	HJGD	
Cc1cc(C(C)(C)C(=O)NNc2ccc(OC(F)F)cc2)ccc1Br	810686741	ZAUXPABOJCWWIQ-UHFFFAOYSA-N	413.262	4.780	50	20	HJGD	
O=C(NN=C1CC(c2ccc(Br)cc2)C1)c1cc(-c2ccccc2)on1	814790181	JETTVVDKXFDOSY-UHFFFAOYSA-N	410.271	4.768	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNc1cccc(Cl)n1	817005823	JQCRLCMQSNHNAY-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
Cc1ccc([C@H](C)N(C)C(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	914495355	CDQJPUBLXYAHIW-UVVIUPSJSA-N	405.542	4.719	50	20	HJGD	
COc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)ccc1OCc1cccs1	917573753	RAOPYCUSUJCIRU-UHFFFAOYSA-N	414.914	4.682	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1C	917844450	UPNHKUPBAWCUFX-DMYKLUSSSA-N	409.505	4.598	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)c3nc(-c4ccccc4)no3)cs2)cc1	920063800	FDOSGCQKFHNXHQ-WJDWOHSUSA-N	416.462	4.845	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Oc2ccc(Cl)cn2)cc1	1251778512	CBXWQXYPCNMGSB-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Br)CCC2)cc1	1789625754	XREJSXJSIANPNQ-HNNXBMFYSA-N	421.379	4.896	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3OC)CCC2)cc1	1790488462	RGTJZJQIOXJNSI-GOSISDBHSA-N	418.896	4.599	50	20	HJGD	
O=C(CCc1ccc(F)cc1)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1791462086	QNZIQXYUGYFMOM-UHFFFAOYSA-N	423.315	4.696	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCSC3)cc2)CCC1	1792285699	LIXZQGGSOQJECF-CRAIPNDOSA-N	408.995	4.671	50	20	HJGD	
C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1)c1cccs1	1814700251	GSLVPDHPGJSRQL-HIFRSBDPSA-N	422.982	4.532	50	20	HJGD	
COc1ccc(C(=O)NNC(=S)Nc2ccc(C)c(C)c2)cc1-c1ccccc1	51481517	ZSMCTEIDPNZWMT-UHFFFAOYSA-N	405.523	4.610	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2nccs2)cc1	213149384	GQNZASYKSUWMKM-AQTBWJFISA-N	411.490	4.850	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2csc(-c3ccccc3Cl)n2)c1C	727484328	HRRXRYSOPLFITO-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
Cc1nc(CC(=O)NN=C2CCCc3nc(-c4ccc(Cl)cc4)sc32)cs1	728428123	PIZRVUFGCDKNQD-UHFFFAOYSA-N	416.959	4.628	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](n3ccnc3)C2)c(C)n1C1CCCCC1	728543055	UEHVVCJESRPLGR-YJADQXIJSA-N	405.546	4.577	50	20	HJGD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3cccnc3Cl)c2C)cc1	728696573	WOABZDZOZZVXBR-LDADJPATSA-N	419.868	4.719	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)Cc2ccc(-c3ccccc3)cc2)c1C	734256029	FJSAXMOYDRCFNI-UHFFFAOYSA-N	409.493	4.508	50	20	HJGD	
O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NNc1nccnc1Cl	734261554	MEHHUUYEWFTVDL-KRWDZBQOSA-N	419.337	4.749	50	20	HJGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)c1	743810380	FFXXVUYBVZENFK-UHFFFAOYSA-N	403.653	4.514	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C)C1CCOCC1	746410990	WCZPDJZXNTUUIC-DWFNGTSHSA-N	405.542	4.631	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccn(CC(F)F)n2)c(C)n1C1CCCCC1	748759711	ILKAMARYYQMFSM-BOPFTXTBSA-N	401.461	4.617	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc3c(cc2SC)OCCO3)c1C	751199799	SLGXFFJNLLLVME-YVLHZVERSA-N	411.527	4.554	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ccc(C#N)c(Cl)c1	753302925	QBNLYTFGBWKQFC-UHFFFAOYSA-N	405.216	4.725	50	20	HJGD	
Cc1sc([C@@H](C)NC(=O)NNC(=O)CC(C)(C)C)nc1-c1ccc(Cl)cc1	755321306	RWSNHUPNCAPTPA-LLVKDONJSA-N	408.955	4.600	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc(C(F)(F)F)ccc1F	760568083	MUDQJAZLLQYFAM-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1	761376295	MOVBTVLORVLJAW-LCJWNIEWSA-N	414.440	4.814	50	20	HJGD	
C[C@H](CS(C)(=O)=O)N(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	762978673	OQPOBWOLEKIAPL-SNVBAGLBSA-N	422.441	4.773	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F	766543742	FYTRANZIODKLMU-KBPBESRZSA-N	408.424	4.542	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2csc(-c3ccc(F)cc3)n2)cc1OC	767168726	NWYYREUZLPDCAS-UHFFFAOYSA-N	413.474	4.511	50	20	HJGD	
Cn1ccnc1-c1cccc(NC(=O)NNc2ccc(Br)cc2Cl)c1	770023963	QIGXDMAUQRZDKE-UHFFFAOYSA-N	420.698	4.652	50	20	HJGD	
COc1cc(C(=O)NNc2c(F)cccc2Cl)ccc1OCc1ccccc1	770197232	JNRFAHDSENJXGW-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NNc1c(F)cccc1Cl	770198154	KERCFAUDYZFXBX-UHFFFAOYSA-N	420.872	4.862	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc(Br)c1OC	772172565	VADHSVPJOQTXRF-AUWJEWJLSA-N	404.235	4.785	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1ccc(CCC(F)(F)F)cc1	773694832	SYUDATONFXVHDP-UHFFFAOYSA-N	420.218	4.570	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(OCC(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1	777425587	CCPKDJDVHZIKDJ-GFCCVEGCSA-N	414.811	4.633	50	20	HJGD	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NNc1c(Cl)cccc1Cl	778352298	DZLXUOQSZSVCGV-QMMMGPOBSA-N	409.239	4.616	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(C3CC3)cs2)c1C	781178675	DPYKJKRNOVCCNG-XNQOJBRBSA-N	413.543	4.858	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1	787572623	PVLPRDBHSVHUEO-OFFMQOAPSA-N	416.456	4.582	50	20	HJGD	
C[C@H]1CN(CCN(C)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H](C)O1	788660946	FOJDAWOZHNMKMW-BETUJISGSA-N	417.444	4.917	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nnc3n2CCCCC3)c(C)n1C1CCCCC1	788901019	UQVMNKFYDTWLSJ-XSFVSMFZSA-N	421.545	4.578	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cc(-c2ccc(F)cc2)nc2ccccc12	790587824	FSYGXUONAGKFIB-UHFFFAOYSA-N	420.375	4.845	50	20	HJGD	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NNc1cc(Cl)cc(Cl)c1	791739244	JHTMTRSIUFSVSW-MRVPVSSYSA-N	409.239	4.616	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1	804197497	CTJBFTVCLHBUCA-INIZCTEOSA-N	413.871	4.777	50	20	HJGD	
CS(=O)(=O)C1(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCC1	806422590	WTYNTBHULUOVEB-UHFFFAOYSA-N	422.441	4.823	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cn(C(C)C)nn2)c(C)n1Cc1ccccc1Cl	806570071	ORRFOJIPPXAJTH-VCHYOVAHSA-N	407.905	4.769	50	20	HJGD	
Cc1noc([C@@H]2CCCCN2C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	807756797	XRDGVDOBFKSMCQ-FGGAIWKESA-N	421.545	4.962	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(C)nc2ccc(Br)cn12	812765969	BFMLEWGMJHMWFI-UHFFFAOYSA-N	401.308	4.594	50	20	HJGD	
COCc1ncc(COC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)s1	814000825	DHMUUZUIYMCADN-ZDLGFXPLSA-N	413.543	4.863	50	20	HJGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	817014855	BBWJZWFVMZUXRT-NSHDSACASA-N	408.346	4.632	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)c1C	819100165	XTBKLFUJMYVVAG-KAGBAYQFSA-N	418.541	4.822	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2coc(-c3ccc(OC)cc3)n2)c1C	829568798	MTRNNORWELDDFU-UDWIEESQSA-N	419.481	4.829	50	20	HJGD	
Cc1cccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1C	855278834	XTRRBVMFAREEEO-CXFFPLRNSA-N	421.541	4.855	50	20	HJGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(-c2cccc(Br)c2)s1	914599314	CUAVZQQFCURBCU-NTCAYCPXSA-N	419.344	4.627	50	20	HJGD	
Cc1cc(C)n(-c2ccc(NC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)cn2)n1	915151552	BOUBEUQVDOUGAF-NHDPSOOVSA-N	416.529	4.504	50	20	HJGD	
O=C(Nc1ccc(N2CCCC2=O)cc1)NN(Cc1ccccc1)c1ccccc1	915320117	KURRYCBSFMPSKW-UHFFFAOYSA-N	400.482	4.557	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1c[nH]c2ccccc12	916288191	ZWMGCLNNMFJGNG-UHFFFAOYSA-N	412.280	4.733	50	20	HJGD	
O=C(COc1ccccc1Cc1ccccc1)NN=Cc1ccccc1C(F)(F)F	916305297	ZSJUBOIASVDJAI-UHFFFAOYSA-N	412.411	4.825	50	20	HJGD	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1	916735906	KYUAWXMPAVPONQ-ZDUSSCGKSA-N	409.313	4.654	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cn3cccn3)cc2)c1C	918621601	ZPTMYGNKMZAYKL-JCMHNJIXSA-N	401.514	4.696	50	20	HJGD	
CCN(CC)C(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	920013373	UXZLQHUJEBPHSK-KGENOOAVSA-N	420.557	4.789	50	20	HJGD	
Cn1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)c(-c2cc3ccccc3o2)n1	920365271	NRLSPOZLLHVPDS-UHFFFAOYSA-N	400.482	4.895	50	20	HJGD	
Cc1cc(C(=O)NNc2cncc(Br)c2)c(C)n1[C@H](C)c1ccccc1	1320252239	KNIQHHYEHONQJU-CQSZACIVSA-N	413.319	4.629	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(Cn3cnc4ccccc43)o2)c(C)n1CCC(C)C	1322138856	YKVOWXIVXXTKQJ-NDENLUEZSA-N	414.513	4.996	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccccc3)CCC2)cc1	1790488880	LXYHXOZIBNDOEN-HKBOAZHASA-N	410.945	4.942	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1	1830308884	AFMLEPBVWLCENF-SFTDATJTSA-N	404.982	4.554	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1	1830356209	QHBDJIIJAIRWMY-GOHIESPPSA-N	409.014	4.760	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	11295587	PEWIYSDDYSBWQH-SFQUDFHCSA-N	410.476	4.970	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C	105284476	YWJMKTGQYPSESB-XGHPXPSOSA-N	416.319	4.621	50	20	HJGD	
C[C@H](CC(C)(C)c1ccccc1)NC(=O)NNC(=O)c1c(Cl)cccc1Cl	727843099	RURIUVOIHOGYBR-CYBMUJFWSA-N	408.329	4.694	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)C2CCC2)c(C)n1C[C@H]1CCCO1	729658020	UALJCUSSMGEEEJ-WXTZCSQUSA-N	417.553	4.849	50	20	HJGD	
Cc1cc(Br)ccc1C(=O)NNc1c(F)cc(F)cc1Br	741978817	RNHQMVNVOONNQT-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1	744373489	ZYLIIQDEJAUDFX-UHFFFAOYSA-N	414.962	4.912	50	20	HJGD	
COc1ccc(NNC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)cc1	746882461	DJIVMRMCFDMVQD-FQEVSTJZSA-N	400.450	4.950	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc(C(F)(F)F)cs2)c(C)n1CC(C)C	751615485	XVADUEIYYFBKAV-GIDUJCDVSA-N	411.449	4.887	50	20	HJGD	
C[C@@H](SCC(=O)NNc1cc(C(F)(F)F)ccc1F)c1nc2ccccc2[nH]1	754143077	MGEOIUKKNAPKSE-SNVBAGLBSA-N	412.412	4.658	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccccc1COCc1ccccc1)c1ccccc1	755925336	ZVVRWOMUIMJOPL-QFIPXVFZSA-N	417.509	4.750	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1cccc2ccsc12	757753842	IEBRYIXVUARFJJ-UHFFFAOYSA-N	408.508	4.800	50	20	HJGD	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NNc2cc(C)ccc2F)cc1	760147810	UFGWCJXMSHZIOY-UHFFFAOYSA-N	411.389	4.600	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cc2ccccc2cc1OC(F)F	762261697	TVLFJXHLYWBVJX-UHFFFAOYSA-N	403.332	4.673	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1nccnc1-c1nc2ccccc2s1	763612192	IBJLTZWAKYGAQG-UHFFFAOYSA-N	416.293	4.817	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCC2	763624339	NAEJMWCVFQVRJW-UHFFFAOYSA-N	405.260	4.564	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Nc3ncccn3)cc2)c1C	769672601	LDFZTAXWNCLERX-RGEXLXHISA-N	400.486	4.594	50	20	HJGD	
CC(C)(C=NNC(=O)c1c(Cl)cccc1Cl)[C@H](C[N+](=O)[O-])c1ccccc1	771100861	OAPKCYXQVZOBAT-CQSZACIVSA-N	408.285	4.796	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	772860582	PHKAAOSHJQRQFK-UHFFFAOYSA-N	407.861	4.674	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1	772890469	GWDLZAUVMMSUOJ-UHFFFAOYSA-N	418.526	4.526	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cc(Br)ccc2Br)c(C)c1	773460602	ZYDQFPXNENXTEF-UHFFFAOYSA-N	412.125	4.894	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	774334863	FXULLNAUHNNLJO-HNNXBMFYSA-N	405.848	4.577	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(NC(=O)c2cccs2)c1	775472625	BJOAFBZSTBMMAM-UHFFFAOYSA-N	403.467	4.697	50	20	HJGD	
Cc1cc(Br)cc(/C=C(\C#N)c2nnc3n2CCCCC3)c1OC(F)F	777869825	OSAMEWISDZDSMU-MDWZMJQESA-N	423.261	4.741	50	20	HJGD	
CC[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777963882	LVQCGSBVDVKDFQ-KGLIPLIRSA-N	409.442	4.658	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1	785218005	AJUOMFNCHJROMO-YVLHZVERSA-N	407.832	4.999	50	20	HJGD	
Cc1ccc(OCc2nc(/C=C(\C#N)C(=O)NCc3cccc(Cl)c3)cs2)cc1	786056100	LZXNGUFJMLGWJQ-LICLKQGHSA-N	423.925	4.907	50	20	HJGD	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NNc1cc(F)c(F)cc1F	790809522	YUWZBOZSKPPINM-UHFFFAOYSA-N	415.293	4.843	50	20	HJGD	
CC(=O)c1cccc(OCc2cc(C(=O)NNc3cc(Cl)cc(Cl)c3)no2)c1	791723670	XHFILTYODBWFSU-UHFFFAOYSA-N	420.252	4.520	50	20	HJGD	
COc1cc(C(F)(F)F)ncc1NC(=O)NN(Cc1ccccc1)c1ccccc1	792510121	JNGLJPZWVBXCQU-UHFFFAOYSA-N	416.403	4.852	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	794692071	UIWWXGBAZRYBNM-GHRIWEEISA-N	413.868	4.928	50	20	HJGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c1	794932644	XLTQKVRSXCKYJQ-WQLSENKSSA-N	409.656	4.979	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1ncccc1C(F)(F)F	795119816	HTUCYQQLJUTDEK-UHFFFAOYSA-N	410.396	4.513	50	20	HJGD	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NNc1ccc(C(F)(F)F)cn1	801890946	ISUXOYUICUXDCG-UHFFFAOYSA-N	405.355	4.759	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc(-c2nc3ccccc3o2)cc1	806179556	DSBDNDIHSSEBHH-UHFFFAOYSA-N	400.442	4.701	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2csc(COc3ccc(C)cc3)n2)cc1	811530758	RKLYOVSNNIGWQK-WQRHYEAKSA-N	420.490	4.690	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1	812768252	MHXJMPSHRLBOBI-UHFFFAOYSA-N	418.541	4.732	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1csc(-c2ccccc2Cl)n1	816486409	CMCDYYVSBQNZFS-UHFFFAOYSA-N	408.314	4.787	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1ccc(F)cc1F	876982004	GYRPYTWPZMLSQD-UHFFFAOYSA-N	404.420	4.883	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)c2ccccn2)c(C)n1CC(C)C	901004132	CIEQIEPXFAYEPJ-XSZPGNIMSA-N	412.537	4.969	50	20	HJGD	
O=P(CCN[C@H](c1ccccc1)c1ccccn1)(c1ccccc1)c1ccccc1	917039261	WUSKNYGFGGQOND-AREMUKBSSA-N	412.473	4.775	50	20	HJGD	
C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788585250	XEBJWOCDMZVOGG-IBGZPJMESA-N	423.004	4.706	50	20	HJGD	
C[C@@H]1CCC[C@@H]1C(=O)NC1(c2ccc(NC(=O)[C@](C)(Cl)CCl)cc2)CCC1	1790494240	GSIXGMDBSXIBST-CFLQYTFWSA-N	411.373	4.793	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1	1790495192	XDVYPFSYQQMUGO-HXUWFJFHSA-N	423.340	4.583	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)CCC(C)C)CCC2)cc1	1791363936	ZKWBUKLCVYJPRE-KRWDZBQOSA-N	409.368	4.730	50	20	HJGD	
Cc1c[nH]c(C)c1CCC(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791605337	GYWQSTIBKRSRFL-UHFFFAOYSA-N	422.356	4.502	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)[nH]n1	1820857830	DQSULZNQNYLYAG-MJGOQNOKSA-N	416.953	4.856	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1	1830308883	AFMLEPBVWLCENF-RTWAWAEBSA-N	404.982	4.554	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	21287839	RDBZICJLSCWIJP-LLVKDONJSA-N	409.455	4.771	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cc3ccccc3nc2N2CCOCC2)cc1	208125341	XPMVPHARDNEHLW-QJOMJCCJSA-N	411.505	4.814	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2cc3ccccc3o2)c(C)n1CC(C)C	214468283	BJCPILZQFYFZFY-JMIUGGIZSA-N	404.466	4.840	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2Cl)c1	254400946	XQMYSTXEVVAIPR-UHFFFAOYSA-N	424.932	4.795	50	20	HJGD	
COc1ccc([C@H](CNC(=O)CCCC[C@@H]2CCSS2)N2CCCC2)cc1	302709085	MEUWAXSBLAGUET-UXHICEINSA-N	408.633	4.662	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Sc3nccn3C)cc2)cc1	727646190	OSPQKPPIHILMKZ-VKAVYKQESA-N	404.495	4.516	50	20	HJGD	
O=C(CCCc1ccccc1)NN=Cc1csc(COc2ccc(Cl)cc2)n1	727685013	VKZAMIBJPSPHCZ-UHFFFAOYSA-N	413.930	4.849	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccccc2F)o1)c1cc(F)ccc1Br	728435753	GIPKFJYTIHXWBQ-UHFFFAOYSA-N	405.198	4.751	50	20	HJGD	
CC(C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O	728698335	GYJQYSPAPOXOAP-LDADJPATSA-N	409.445	4.778	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c(C)n1CCC(C)C	729417019	CNJNZDOWZQKQJC-FYJGNVAPSA-N	418.541	4.606	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CCCCC2)c1csc2ccccc12	730028508	BYDWNQHESWCPBK-CYBMUJFWSA-N	413.568	4.937	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCc2nc3cc(Cl)ccc3s2)c1	730596802	ZBYMXLZETUKVDM-UHFFFAOYSA-N	418.975	4.517	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	731117452	IJCPLIRZLAAWKD-FQEVSTJZSA-N	413.424	4.712	50	20	HJGD	
O=C(CCCSc1ccc(Br)cc1)NNc1ncccc1Cl	734246814	WMAWGOADIFCHLX-UHFFFAOYSA-N	400.729	4.513	50	20	HJGD	
Cc1ccccc1Nc1nc2sc(C(=O)NNc3nccnc3Cl)cc2s1	734261658	RZMLNANTNSJDAJ-UHFFFAOYSA-N	416.919	4.610	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)N(C)C1CCCCC1	740765689	NOTZKVDGTWATQF-UYRXBGFRSA-N	410.949	4.900	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)cc1C	743823205	XTAJWINGPIHAHY-AWEZNQCLSA-N	409.477	4.834	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc(OCC3CC3)cc2)c(C)n1C[C@@H]1CCCO1	745815752	PTCIDZKQOHWQLV-GXPYYPFNSA-N	420.509	4.585	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1cccc([N+](=O)[O-])c1	748001970	IXSWGPLWYJGOCU-UHFFFAOYSA-N	413.437	4.513	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(OCc2noc(C)n2)cc1	748669248	FUUUZXVXOPHKKF-UHFFFAOYSA-N	422.510	4.907	50	20	HJGD	
Cc1cccc(-c2cncc(C(=O)NNc3ccc(OCC(F)(F)F)cc3)c2)c1	748705081	ZKAFILGBTAHXSW-UHFFFAOYSA-N	401.388	4.755	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(F)F)c2ccccc2)c1C	749138723	XYUIIQRBSRLGLZ-ZVCOJXFSSA-N	401.457	4.518	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C	754701090	KLKYKQROMSLSFF-QJQCDQNHSA-N	423.532	4.940	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(F)cc2Cl)nn1)c1nc2ccccc2n1C(F)F	755584023	IRFLNEYTHVGOIO-XFFZJAGNSA-N	414.778	4.869	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(-c2cccnc2)nc2ccccc12	761591332	NLEZBOJVUROKHP-UHFFFAOYSA-N	424.382	4.952	50	20	HJGD	
Nc1cc(C(=O)NN=C2CCC(c3cccc(C(F)(F)F)c3)CC2)cc([N+](=O)[O-])c1	761769008	JBRNOOKRQBVSQC-UHFFFAOYSA-N	420.391	4.639	50	20	HJGD	
Cc1cc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc(C)c1O	762634972	DRMOHPPHCAGMSG-UHFFFAOYSA-N	424.391	4.921	50	20	HJGD	
Cc1cc(NC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)ccc1-c1ccccc1	762928167	BATGLUFUNANXOK-UHFFFAOYSA-N	411.465	4.519	50	20	HJGD	
C=CCc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)cc(OC)c1O	765613486	LWJDSYADRGZDGF-ZSOIEALJSA-N	415.243	4.864	50	20	HJGD	
Cc1cc(Br)cc2cc(C(=O)NNc3cccc(C(F)(F)F)n3)oc12	768402610	QTBRXHZSBGELOP-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
C[C@@H](CCC1CC1)NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	769281079	CWQHMXHIDLRVQY-MGPLVRAMSA-N	408.873	4.539	50	20	HJGD	
O=C(NNc1cnccn1)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1	769982581	HMUSGPBFMJWFOQ-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3	774115246	NNGYWMBRRLTNMH-YRNVUSSQSA-N	412.858	4.901	50	20	HJGD	
O=C(Nc1cccc(C(=O)NNc2ccccn2)c1)Nc1ccc(Cl)c(Cl)c1	777471451	JPDCMMAIJJYMCS-UHFFFAOYSA-N	416.268	4.789	50	20	HJGD	
CCc1noc(C2CCC(=NNC(=O)c3ccc(-c4ccc(F)cc4)s3)CC2)n1	778540786	TXKMHFBDELOYCM-UHFFFAOYSA-N	412.490	4.943	50	20	HJGD	
Cn1cc(CNC(=O)NN(Cc2ccccc2)c2ccccc2)c(-c2ccccc2)n1	782754519	JQWAFKGJPBXVPP-UHFFFAOYSA-N	411.509	4.508	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(F)cc2F)cc1OC	786052685	HHVNRMFNHPRBHA-CHHVJCJISA-N	420.843	4.639	50	20	HJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)N[C@H](C)c3ccc(OC)cc3)cs2)cc1	787151241	LANIUWJFSAOOHN-GYZOOYGHSA-N	419.506	4.612	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(C(F)(F)F)ccc1F)c1nc(C(F)(F)F)cs1	787421071	OMWDHFUIPQDPSU-ZCFIWIBFSA-N	416.322	4.707	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCN(Cc3ccncc3)CC2)cc1	788020277	FBFKAHFWXZSISZ-UHFFFAOYSA-N	411.666	4.921	50	20	HJGD	
CCc1c(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cnn1C(CC)CC	792272517	QWHQRQUJTXSORT-UHFFFAOYSA-N	419.529	4.615	50	20	HJGD	
N#C/C(=C/c1cc(Br)cc2c1OCC2)C(=O)c1ccc2ncccc2c1	794885096	OFZSHXOJWPWHFT-MFOYZWKCSA-N	405.251	4.722	50	20	HJGD	
CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1nncn1C	806184331	ZECUCXLEUYETRA-TZMCWYRMSA-N	421.876	4.553	50	20	HJGD	
CCCOc1ccc(C(=O)NN=C2CC[C@H](c3ccccc3)C[C@@H]2OC)cc1OC	814755719	TYHRBINEPLUPMO-AVRDEDQJSA-N	410.514	4.553	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3cccnc3)c2C)cc1	843348539	JNNAYEOVKKSIFC-QWQBBLJPSA-N	414.509	4.672	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(-c4nnco4)c3)c2C)c1	914573689	NZYIZWXEDBRDMS-MTJSOVHGSA-N	423.476	4.998	50	20	HJGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1cc(Cl)ccc1OC(F)F	915958317	YLRDVRVWFOEXNR-UHFFFAOYSA-N	404.800	4.624	50	20	HJGD	
COc1ccc(OC(F)F)c(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	916068426	PPSXPRXJMGASQR-RQZCQDPDSA-N	417.456	4.917	50	20	HJGD	
CCOc1cc(/C=C(\C#N)S(C)(=O)=O)ccc1OCc1ccc(C(C)(C)C)cc1	916132973	WLLWLMSFMNLGOJ-DEDYPNTBSA-N	413.539	4.871	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)c1	917366070	DLGSBLGGTGPGGC-UHFFFAOYSA-N	413.319	4.625	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(Cl)nc3)c2C)cc1	917724480	YVKCBHSXTFKDQX-JAIQZWGSSA-N	404.901	4.674	50	20	HJGD	
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NNc1ccnc2cc(Cl)ccc12	1319795084	TXCHDUAENFJMNS-UHFFFAOYSA-N	412.280	4.699	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3csc(C)n3)CCC2)cc1	1786443716	HAJSFPSOIFQYLD-MRXNPFEDSA-N	405.951	4.607	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1	1815319993	TURYMGOIXCAYOZ-RYRKJORJSA-N	406.958	4.556	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1	1815568177	WUNPWJRZRTZESH-JSGCOSHPSA-N	422.879	4.542	50	20	HJGD	
Cc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824010924	IOHKWYUZYVTZPR-KRWDZBQOSA-N	411.011	4.555	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1	1824609269	KLIZUSBTNQORBE-SJORKVTESA-N	424.935	4.746	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2F)CC1	1824609427	AKICNNWNDBIAOV-PMACEKPBSA-N	422.972	4.775	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cs2)cc1	63275941	LFPXIOBPWYKCLA-WJDWOHSUSA-N	405.479	4.585	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1	219922688	QWNMMJWRMDTNAN-ZKMNFCBKSA-N	412.873	4.525	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(Cl)cc1Cl	727263863	HVJLIKGSEZVBBH-NTEUORMPSA-N	420.271	4.515	50	20	HJGD	
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)NNc1ccccc1Cl	730134002	IXUBCYSDESWBKT-UHFFFAOYSA-N	407.345	4.532	50	20	HJGD	
O=C(NNc1ccccc1)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2	732265766	GFBWPGOAMAPCMO-UHFFFAOYSA-N	420.822	4.790	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2	733926830	CDJBHWBTMSJXGM-MRXNPFEDSA-N	414.962	4.720	50	20	HJGD	
CC[C@H](CC1CCCC1)C(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	734257624	IGIMKQPZWMFQLV-CQSZACIVSA-N	407.440	4.607	50	20	HJGD	
C[C@H](CC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C1CCCCC1	734257800	QHQQLQOUQVJRHI-CYBMUJFWSA-N	407.440	4.607	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1csc(Cc2ccccc2)n1	739315134	WOGDXORSTVODIA-UHFFFAOYSA-N	419.256	4.624	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C)c1ccncc1	741586192	QRHOLJIDLLAAAJ-FGGAIWKESA-N	402.473	4.803	50	20	HJGD	
O=C(NNC(=S)Nc1ccc2c(c1)CCC2)Nc1ccc(-c2ccccc2)cc1	741855933	FBFDPQYCAXRLMS-UHFFFAOYSA-N	402.523	4.865	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1	743058821	LXKARSOWTSWZOK-JVVYVMHDSA-N	400.837	4.583	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1cccc(OCc2ccccn2)c1	746754049	ADLFNIQFYMKTMP-CQSZACIVSA-N	414.868	4.840	50	20	HJGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)C(=O)Nc1nc2ccccc2nc1Cl	747689943	BNUAFWLLAYFKOO-GHRIWEEISA-N	411.852	4.891	50	20	HJGD	
O=C(Nc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1)OCC(F)(F)F	752811849	CIRXVMCTLNUMBN-UHFFFAOYSA-N	422.190	4.861	50	20	HJGD	
CCCCn1nc(C(=O)NN=C2CC(c3cccc(Cl)c3)C2)c2ccccc2c1=O	753919535	YEBPJQMNQVEZBY-UHFFFAOYSA-N	422.916	4.513	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2c[nH]nc2-c2ccccc2F)c(C)n1CC(F)(F)F	755700734	QCWWMADWEYDXLQ-RIYZIHGNSA-N	416.378	4.986	50	20	HJGD	
C=CCN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1	762980251	OFCMRJFORVAOTJ-LBPRGKRZSA-N	420.425	4.551	50	20	HJGD	
O=C(Cc1csc(-c2cccs2)n1)NNc1ccnc2cc(Cl)ccc12	767227982	XKDPWYWNJGJTSW-UHFFFAOYSA-N	400.916	4.759	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1	771343804	YDZOHLFGXHOUPQ-UHFFFAOYSA-N	421.284	4.979	50	20	HJGD	
C[C@@H]1C[C@@H](CCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	773498074	NZQKXEPUEOABMD-NEPJUHHUSA-N	416.412	4.604	50	20	HJGD	
CCCN(CCC)C(=O)c1cccc(C(=O)NNc2ccccc2OC(F)(F)F)c1	779210793	KTOLJENZUBIFON-UHFFFAOYSA-N	423.435	4.604	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1c[nH]nc1-c1ccc(Cl)s1	779368549	PFLROKGKMBZRFF-UHFFFAOYSA-N	404.282	4.750	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)c2cnccn2)c(C)n1-c1cccc(Cl)c1	781822830	PPAJNRGGCJFFIZ-HKJBKDEOSA-N	406.873	4.749	50	20	HJGD	
O=S(=O)(N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1ccc(S(F)(F)(F)(F)F)cc1	782983087	INHJQCXHFBNOOF-BFHYXJOUSA-N	407.426	4.580	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)c(OC)c1)c1ccccc1	787146328	WNRKYTPYGDDVHD-UWKDKTGGSA-N	418.415	4.811	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1	787184483	SLKGICZZPBQMDZ-VUODPORTSA-N	420.900	4.627	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)n1	789363321	ZFKPEQIEAVPLQT-UHFFFAOYSA-N	403.273	4.611	50	20	HJGD	
CCCc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)cnn1Cc1ccccc1	791717657	KLPUUDVMLLGAPV-UHFFFAOYSA-N	403.313	4.948	50	20	HJGD	
O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NNc1cc(Cl)cc(Cl)c1	791739554	RURUOUCQKIPHFJ-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
CC(C)Cc1ccccc1C(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	792334148	URBCAZKOTSOQEL-UHFFFAOYSA-N	415.419	4.513	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c(C)n1C1CCCCC1	792534471	PGGKXCRLJMMTEQ-BDBXIWDTSA-N	421.545	4.773	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2occc2CSc2ccccc2)c(C)c1	792944392	CKNDHXFPENCETM-UHFFFAOYSA-N	411.552	4.820	50	20	HJGD	
CCc1cc(C(=O)NNc2cc(F)c(F)cc2F)c2c(CC(C)(C)C)noc2n1	800521922	MYFQJUGSXYDJQN-UHFFFAOYSA-N	406.408	4.548	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)O[C@H]2C[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1	809104932	VHCSFINXMVSYQN-KYRVSEGSSA-N	422.488	4.860	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NN=c2cc[nH]c3ccccc23)cs1	810361951	UPVVAPTWSVIRMX-UHFFFAOYSA-N	420.513	4.649	50	20	HJGD	
Cc1cccc(-c2nnc(S)n2CCC(=O)NNc2c(C)cccc2C(C)C)c1	812768221	KSWMXUJBYQHRKN-UHFFFAOYSA-N	409.559	4.507	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)ccn1C(C)C	816641545	VTQMWUKYHJIPIN-UHFFFAOYSA-N	403.408	4.610	50	20	HJGD	
CCOc1ccc(NNC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1	817915643	QXTYJUYTUOTWKQ-UHFFFAOYSA-N	407.417	4.985	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(C)n1C[C@@H]1CCCO1	844145620	BDOGWKCJBJANTD-MGPOLFOQSA-N	421.516	4.694	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccccc1SC(F)(F)F	914748325	VYTZFEDURATBGO-UHFFFAOYSA-N	420.865	4.505	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)c1C	916080850	NMPDHPMVLYYHMP-VOSMRYOYSA-N	411.521	4.701	50	20	HJGD	
CCCOc1c(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cccc1OCC	916152754	DWDXQPZKOHQTHM-AQTBWJFISA-N	405.903	4.866	50	20	HJGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	916735696	AGNWMZLGSVLARA-SECBINFHSA-N	403.718	4.589	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(F)F)c(F)c2)c1C	917712061	GPEXPEJMWGGIAT-WJHGTXIHSA-N	421.419	4.599	50	20	HJGD	
C[C@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1nc(C(C)(C)C)cs1	1116679318	SMJXRYOKCARDNR-JTQLQIEISA-N	402.442	4.727	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1	1786444671	JQOLJRIJNGSMTQ-SFHVURJKSA-N	420.340	4.890	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3OC)CCC2)cc1	1786446786	JEOKCGCVLSEHFV-IBGZPJMESA-N	414.933	4.850	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Br)cc3)CCC2)cc1	1791437892	QBWYTVODTVXXEZ-OAHLLOKOSA-N	415.331	4.526	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C/c3cc(Cl)c4c(c3)OCCCO4)nc(O)c2c1C	7675637	SAEHLDWYNWCNIX-AWNIVKPZSA-N	413.886	4.893	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc(Cl)c1Cl	17201981	KKHFFZLKCHUISY-UHFFFAOYSA-N	415.276	4.500	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)CCCC[C@@H]2CCSS2)c(C)n1-c1ccccc1	21194596	UEGSDDGRIIKOTK-GOSISDBHSA-N	417.600	4.569	50	20	HJGD	
Cc1ccc2c(COC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)cc(=O)oc2c1	33803359	WNFFGFLTPWBHDA-JMIUGGIZSA-N	418.493	4.826	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccncc2)c(C)n1-c1cccc2ccccc12	301196990	LSKNLQHKJSCRFI-HAHDFKILSA-N	406.489	4.866	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cccc(OCCCC#N)c1	726741027	AOKZYVBTSIFHRD-GZTJUZNOSA-N	409.873	4.885	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c(C)n1C1CCCCC1	727738899	PPLLIRNAHNVDLC-KNGGAZFVSA-N	405.546	4.646	50	20	HJGD	
N#Cc1ccc(OCc2ccc(C(=O)NNc3cccc(C(F)(F)F)c3)o2)cc1	728716479	DQLVWEHROXVLDZ-UHFFFAOYSA-N	401.344	4.506	50	20	HJGD	
Cc1ccccc1COc1cccc(CC(=O)NNc2ccc(F)c(F)c2F)c1	730031566	VTLOEMVSOSDPPR-UHFFFAOYSA-N	400.400	4.677	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)C(=O)O)cc1)c1nc2ccccc2n1C(F)F	730729669	LXUYHUBPJCWHRC-XFXZXTDPSA-N	405.307	4.552	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)Cc3scnc3C)c2C)cc1	731174790	YBLJNSIBACIPRA-RGVLZGJSSA-N	404.539	4.733	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(Cl)nc(Cl)c2)c1C	733378677	SFIQZENPRFOMNN-RSQQOUAVSA-N	422.312	4.665	50	20	HJGD	
CO[C@@H](CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(F)(F)F	733618931	OVFUOUFUHKIZCI-VHSXEESVSA-N	410.767	4.605	50	20	HJGD	
Cc1cccc([C@@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1C	734470041	VAOGGAUNJPSBHL-INKLHFNDSA-N	423.520	4.865	50	20	HJGD	
N#Cc1ccc(OCc2cccc(C(=O)NNc3nccc4sccc34)c2)cc1	734550653	WDNICECBOGJQIW-UHFFFAOYSA-N	400.463	4.504	50	20	HJGD	
Cc1cccc([C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1	737339247	KPLZLZKQSAHMMY-UQRWVXEISA-N	410.477	4.984	50	20	HJGD	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)NN(Cc1ccccc1)c1ccccc1	740460903	UUWFVVVZIFMBHJ-HSZRJFAPSA-N	403.482	4.598	50	20	HJGD	
COCc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1	742006013	CUZOVJZJZYNDOC-UHFFFAOYSA-N	404.091	4.659	50	20	HJGD	
O=C(NNC(=O)N[C@@H](Cc1ccccc1)C1CC1)Nc1ccc(-c2ccccc2)cc1	743626489	SRHFNLOWZGPINN-QHCPKHFHSA-N	414.509	4.711	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)N1CCC2(CCCC2)C1	743987573	PNQNTMMDKJSYOI-MRXNPFEDSA-N	420.884	4.637	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1NC(=O)Nc1ccccc1	746707053	SDACTIIJMCHNJZ-UHFFFAOYSA-N	414.387	4.813	50	20	HJGD	
COc1ccc(CN(C)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cn1	748521639	XPZULUWOZUKBOA-OAHLLOKOSA-N	419.856	4.973	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl	748551271	FPEGCKDDMTYHOC-UHFFFAOYSA-N	407.276	4.751	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1	748672305	CNEDDHQAOPKUDD-INIZCTEOSA-N	411.502	4.515	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1ccc(OCC(F)(F)F)cc1	748705010	TZGZPQPGJKHZMK-UHFFFAOYSA-N	403.404	4.699	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)CC#N)c(C)n1-c1cccc(Cl)c1Cl	751392393	IFYWGPSQLRVXOS-KPENOIPVSA-N	401.297	4.726	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc2c(C(C)C)nn(C)c2s1	753173928	OGKVJLUPLKCOLI-UHFFFAOYSA-N	421.364	4.840	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)c1C	756870946	JOUSJRDJNDYICZ-UHFFFAOYSA-N	408.502	4.648	50	20	HJGD	
CCOc1ccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)c(C)c2)cc1OC	762930891	PMMNVLJGWSGRBN-UHFFFAOYSA-N	419.481	4.536	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccccc1NCc1ccccc1Cl	765194983	FROXHRPFDSYDBE-UHFFFAOYSA-N	421.810	4.518	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)c1	766557214	ZFYRYISKSDOVAH-DOTOQJQBSA-N	409.571	4.607	50	20	HJGD	
N#Cc1ccc(CSc2ccccc2C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	768247799	WDMZKSGHXPAEDW-UHFFFAOYSA-N	404.451	4.516	50	20	HJGD	
CCOc1ccc(NC(=O)c2ccc(NC(=O)NNc3ccccc3F)cc2)cc1	769937771	IAXQBHCVWKZFHS-UHFFFAOYSA-N	408.433	4.625	50	20	HJGD	
C[C@@H](CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1nccs1	773508259	DNULXKZVMIKWLL-VIFPVBQESA-N	415.409	4.659	50	20	HJGD	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NNc2cnc3ccccc3n2)c1	774771648	QCLBVUIADFDFSU-UHFFFAOYSA-N	415.840	4.704	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(Oc2ccncc2)c(Cl)c1	775271393	IOONUWWTTPHIKB-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Br)c1cc(F)c(Cl)cc1Cl	779146942	YVRNDOOKDDATFO-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
Cc1nn(-c2ccc(C(=O)NNc3ccccc3OC(F)(F)F)cc2)c(C)c1Cl	779210783	KBLJLXTVSPXYTJ-UHFFFAOYSA-N	424.810	4.798	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1C	779380141	MTLSWBUUYAEHCC-UHFFFAOYSA-N	421.810	4.585	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2cc3ccccc3o2)c(C)n1C[C@H]1CCCO1	785615280	GWAINJSUDSWPFQ-NMDDYRIWSA-N	417.509	4.815	50	20	HJGD	
CCOc1cc(C(=O)NN=C(C)C2CCC(F)(F)CC2)cc(OCC)c1OCC	788699568	ZYKDRKZFASPAMT-UHFFFAOYSA-N	412.477	4.814	50	20	HJGD	
Cc1cccc2c1OCC[C@@H]2OC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	789496412	IEAPVGPKLCFNEY-QTFNKFTISA-N	420.509	4.566	50	20	HJGD	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)CC(C)(C)C	798108558	CFIULWXIMJPKKD-UHFFFAOYSA-N	412.317	4.969	50	20	HJGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	799890662	UEQHUELAHKQNKD-VIZOYTHASA-N	411.870	4.506	50	20	HJGD	
CC(C)c1ncc(C(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)s1	802071053	ODONBYHZROXCLG-UHFFFAOYSA-N	407.710	4.693	50	20	HJGD	
Cc1noc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n1	806185225	UIOANWNONRCMAS-SMDDNHRTSA-N	420.844	4.966	50	20	HJGD	
CC(C)c1cnc(NC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)s1	806462195	UOIOAYCASGKQQU-UHFFFAOYSA-N	422.436	4.891	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2nc3ccccc3cc2Cl)cc1	810541085	NLLSTDZHXQTYKR-UHFFFAOYSA-N	412.946	4.862	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3c(C)nn(C)c3Cl)n2)c1	812488339	WBJXIRXDGKUYTQ-RIYZIHGNSA-N	411.918	4.668	50	20	HJGD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3cccc(C#N)c3)c2C)cc1	834718648	XPVVHNUAJFJLPW-BKUYFWCQSA-N	409.445	4.542	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC#N)c2)c(C)n1-c1ccccc1F	916410703	BWQLICKPLCPPJH-UYRXBGFRSA-N	414.440	4.681	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2OCCOC)c1C	917762744	VHTHLZRQHDSFGN-RCCKNPSSSA-N	409.530	4.784	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(CN(CC)CC)c2)c1C	918696903	GRTCRIRLVZITNL-BUVRLJJBSA-N	406.574	4.580	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(C(C)C)no2)c(C)n1-c1ccccc1F	920493074	MILGNNGHMCZJLZ-GYKGCMEESA-N	422.460	4.951	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CCC1	1785758180	JKKYWSKOSDAXJS-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)CCC1	1790331165	BFHFEYXQBARTPX-GOSISDBHSA-N	406.860	4.730	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccncc34)cc2)CCC1	1790859400	HPTYNPWMLLAPSS-OAQYLSRUSA-N	421.928	5.000	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1	1814697698	WBNOIBAIFUCZEI-INIZCTEOSA-N	423.344	4.634	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1824611639	NIJALHKUFFFQBK-NHCUHLMSSA-N	411.030	4.984	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	213511003	VZPDSEPBXJLMOW-PXNMLYILSA-N	404.278	4.517	50	20	HJGD	
O=C(NN=Cc1ccccc1OCc1ccccn1)c1c(Cl)cccc1Cl	727778780	FUQNZJJLCJPRCF-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
O=C(COc1ccc(Oc2ccccn2)cc1)NNc1ccnc2cc(Cl)ccc12	729515607	ITQUEOVYNWMXJP-UHFFFAOYSA-N	420.856	4.598	50	20	HJGD	
COc1cccc(CCC(=O)NNc2ccc(Br)cc2C(F)(F)F)c1	731479524	WEJNJKGZPWAROI-UHFFFAOYSA-N	417.225	4.552	50	20	HJGD	
CCOc1c(Br)cc(C=NNC(=O)[C@@H](CC)c2ccccc2)cc1OC	731930836	OGUVRBBCKMUGGJ-INIZCTEOSA-N	419.319	4.500	50	20	HJGD	
Cc1cc(NNC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)nc(C)n1	736712018	YPFNGIOPOFQKER-OAQYLSRUSA-N	412.946	4.713	50	20	HJGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NNC(=S)Nc1ccccc1C(C)C	738525963	DEMFXPZUVFUWKD-UHFFFAOYSA-N	412.490	4.544	50	20	HJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	741471359	ZLBMVORVGZVHPD-JTTRITNRSA-N	401.098	4.829	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NNc1c(F)cc(F)cc1Br	742108075	DGYRINLXBURMAR-SNVBAGLBSA-N	411.337	4.885	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	743297080	KFAASHDLFCXOKV-UHFFFAOYSA-N	410.739	4.572	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@H]2c2ccccc2)c1C	745773584	ZVNBNAGQKJRCNV-DQHOQNCISA-N	405.542	4.829	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2cc(Br)ccc2OCc2ccccc2)c1	748044399	MQFFBJDSBGAJCX-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748703677	YLHSIJOFEZSBGU-NSHDSACASA-N	404.841	4.905	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)c(C)n1C1CCCCC1	749164051	IFUPGIOWXBWZNJ-POEBIKTISA-N	419.573	4.787	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc(Br)c2)nc(-c2ccc(Cl)cc2)n1	752142091	GPZNOSSZOMVPFS-UHFFFAOYSA-N	417.694	4.625	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(C)nn(-c2ccccc2)c1C	753177274	KYIPDCUCLZNULX-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1	753177334	MAGKTSWCQFKBHM-UHFFFAOYSA-N	405.340	4.597	50	20	HJGD	
CC(C)c1nn(-c2ccc(Br)cc2)cc1C=NNC(=O)CC(C)(C)C	763363194	OUZRTUQUVBOYOC-UHFFFAOYSA-N	405.340	4.645	50	20	HJGD	
CCC(=O)c1ccc(OC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)c(F)c1	766547902	JKLIZMBJIHEMTG-RPJLVFAOSA-N	412.461	4.557	50	20	HJGD	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NNc1nccc2sccc12	768062989	GBYUMWAUIADTIU-SNVBAGLBSA-N	408.296	4.520	50	20	HJGD	
Cc1cc(NNC(=O)CSc2nccc3ccccc23)ccc1Br	768065125	WVTNHJNBGLMEGM-UHFFFAOYSA-N	402.317	4.541	50	20	HJGD	
Cc1nc(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)sc1C	774204088	OSILSIAYJPIHGD-UHFFFAOYSA-N	422.422	4.536	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(-c2ccc(C#N)cc2)n1	777869798	ODAITKYSMAIKKR-DEDYPNTBSA-N	403.445	4.658	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)nn1-c1ccc(Cl)cc1	778394896	ZAXRYDMUBQXMRJ-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
COc1ccc2nc(NNC(=O)Cc3csc(-c4ccc(C)cc4)n3)c(C)cc2c1	778477362	UGHRWLRGENQUTR-UHFFFAOYSA-N	418.522	4.670	50	20	HJGD	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NNc1cccc2cnccc12	782754949	RSVANFBZJOBXPP-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
CC(C)c1nc2ccc(NC(=O)C(=O)NNc3ccccc3C(F)(F)F)cc2s1	784834539	HGGGOGGFCNVVOO-UHFFFAOYSA-N	422.432	4.520	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C(=O)Nc1cc(Cl)ccc1Cl	784877595	AJJDIKGEXPFWBZ-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1	785106878	PMCYQFLCFMHVNG-PTNGSMBKSA-N	403.438	4.919	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1	786039557	FENNVLVJQQULAO-HYARGMPZSA-N	405.523	4.596	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1	794690916	KQSIQNCAWGAAGP-NTUHNPAUSA-N	418.400	4.588	50	20	HJGD	
CCCCNC(=O)NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C	797711295	IUQZCAFSDJSTFM-UHFFFAOYSA-N	413.305	4.516	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cnc(C(C)C)nc2)c(C)n1CCC(C)C	799397874	TTZRRLRTJNVXMK-JJFYIABZSA-N	407.562	4.630	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)s1	800792038	ZGTACNHLILYBAC-NTUHNPAUSA-N	412.902	4.665	50	20	HJGD	
O=C(NNC(=O)c1csc(-c2cccc(Cl)c2)n1)Nc1ccc(Cl)cc1	802020137	JIHPSPLCTXHBMK-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1sc2cccc(Cl)c2c1Cl	803438692	AIRUFXSGVBUUNH-UHFFFAOYSA-N	404.278	4.807	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1ccc(Oc2cccc(Br)c2)cc1	804771261	PAEAXJJIDCSMFC-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
Cc1ccc([C@H](NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)C2CC2)cc1	810171401	JDWMFHKCALRBMA-NRWUENPDSA-N	417.553	4.767	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)N[C@H]1CCO[C@@H](c2ccccc2)C1	812198070	VOJFXPGCXXQPRM-WMLDXEAASA-N	424.726	4.649	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2cccnc2)c(C)n1-c1ccc(Cl)cc1	843348491	HJYJTMXBWBUGOK-DDLUMYACSA-N	404.901	4.927	50	20	HJGD	
Cc1ccc(-n2c(N(C)C)nc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2Cl)cc1	912858862	IFZSKQMGGVZHEA-QINSGFPZSA-N	423.879	4.585	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)c1cc(Br)c[nH]1	915997887	QNKGPZJALZFSEK-UHFFFAOYSA-N	423.380	4.655	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCCC[C@@H]2c2ccccc2)c1C	917715560	ZCYIYEZKHKBXGG-YLXJWSIRSA-N	405.542	4.802	50	20	HJGD	
O=C(CCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1Cl	917927575	JBHBKIZSUUYXRO-UHFFFAOYSA-N	422.095	4.530	50	20	HJGD	
N#C/C(=C/C1=Cc2cc(Br)ccc2OC1)c1nc(-c2ccccc2)no1	920064330	RKKJTQOQGYRCJF-SXGWCWSVSA-N	406.239	4.882	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)cc2)n1	921261302	KJYPSMICVPZSKT-JYRVWZFOSA-N	409.433	4.927	50	20	HJGD	
CC(C)(C)CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](O)CCl)cc2)CCC1	1786138079	CGCZPZGNYDMRKF-IBGZPJMESA-N	422.997	4.717	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)COC3CCCCC3)CCC2)cc1	1786441874	FMQWLTKSLYNDSS-FQEVSTJZSA-N	420.981	4.877	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ncc(F)cc3F)cc2)CCC1	1786532698	NPRYWEOFUNBGTI-MRXNPFEDSA-N	421.875	4.515	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cnccc34)CCC2)cc1	1790487135	SNAOIIDZAQGRHQ-OAQYLSRUSA-N	421.928	5.000	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccco3)CCC2)cc1	1790488347	MIXFJHQVLCPVQO-BEFAXECRSA-N	402.922	4.610	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@](C)(Cl)CCl)cc3)CCC2)o1	1790489012	KOQLFLMMZAAXES-LJQANCHMSA-N	409.313	4.572	50	20	HJGD	
O=C(CCCCCCCCc1ccccc1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367486	HBVFMZLEFSGOQQ-OAQYLSRUSA-N	422.972	4.698	50	20	HJGD	
C/C=C/C=C/C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	6442933	AZGGKIBKWLBUJG-MHCRVGIVSA-N	412.489	4.826	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCC2)cc1	14178386	JWVLPUWCNPKINW-XDJHFCHBSA-N	412.493	4.514	50	20	HJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC	206870192	DFQZYSZRANCSGC-WLRTZDKTSA-N	421.280	4.955	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccccc3F)o2)cc1	727497174	JTQITFCYQWFTQY-UHFFFAOYSA-N	413.474	4.504	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl	728176294	RTZZOBMEIZFWJV-MDWZMJQESA-N	401.228	4.864	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1C	730596308	QHIFDLLAFZQVKM-HOTGVXAUSA-N	408.354	4.732	50	20	HJGD	
CC(C)COc1cn(-c2ccccc2)nc1C(=O)NNc1cccc(C(F)(F)F)c1	730829356	DAVXRBFXKGROIR-UHFFFAOYSA-N	418.419	4.683	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NNc3cccc([N+](=O)[O-])c3)s2)cc1	730914347	PMHCZKWROGJQNO-CQSZACIVSA-N	411.487	4.722	50	20	HJGD	
Cc1c(COC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)oc2ccccc12	734290731	VOFCVWMPJODQBY-GUBQRQEFSA-N	418.493	4.989	50	20	HJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1occc1Br	735224836	WVUKSSRHADDOOU-UHFFFAOYSA-N	420.090	4.658	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(C(F)(F)F)CCCCC2)c(C)n1C[C@@H]1CCCO1	735249235	SZFPRWOWGYZABJ-GQEMFKIVSA-N	423.479	4.572	50	20	HJGD	
O=C(CSCc1ccncc1)NNc1c(Cl)cc(Br)cc1Cl	742133376	WFXKFJBIFVZUAB-UHFFFAOYSA-N	421.147	4.527	50	20	HJGD	
CCCCN(C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)C1CCCCC1	745936741	HXZPBELEQITBNY-UHFFFAOYSA-N	422.573	4.618	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(Oc2ccccc2)ccn1	745989525	URHWTGSKWJUKPJ-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cc3ccccc3o2)c(C)n1C[C@@H]1CCCO1	746561237	SJWKHMSAVDMUCL-ZAAFRKLLSA-N	417.509	4.596	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	748796175	FJHFVMZVOMDPPB-RYUDHWBXSA-N	403.429	4.907	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)c1C	749141459	IREXHRCMHSCAQR-VCHYOVAHSA-N	422.920	4.685	50	20	HJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1	750043968	PNEXGDJYZXREAU-FUVWNOQGSA-N	404.253	4.840	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(NC(=O)NC2CC2)cc1	752869297	UPFJJZBWPATKLL-NSHDSACASA-N	422.316	4.665	50	20	HJGD	
O=C1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CN1CC(F)(F)F	752981206	NPYYVDLMVOZFDC-UHFFFAOYSA-N	413.290	4.540	50	20	HJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3cc(C(F)(F)F)ccc3F)o2)cc1	754152248	CQFBHEHCUIDSHC-UHFFFAOYSA-N	407.367	4.884	50	20	HJGD	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1	754153221	CYYAJPGNTXBSJO-UHFFFAOYSA-N	417.790	4.849	50	20	HJGD	
COc1ccc(O)c(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	766569867	HBMFLGOBXDNPGN-UHFFFAOYSA-N	405.366	4.859	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)C1CCC(C(F)(F)F)CC1	766762307	QELHMXHVVHHQBS-UHFFFAOYSA-N	401.173	4.539	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	767960143	RLOMRRQRRMSXBT-QQJLWGBUSA-N	401.707	4.854	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(Br)c(F)c1	771683107	YHLFHKDWVGDAOT-UHFFFAOYSA-N	424.657	4.962	50	20	HJGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	774343775	ZZQIKMUJVZWDGW-GXTWGEPZSA-N	407.426	4.831	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)cn1)c1cccc(C(=O)c2ccccc2)c1	775254037	HHURTCXQYHJIMK-AWEZNQCLSA-N	413.399	4.578	50	20	HJGD	
COc1cccc(Nc2ccccc2C(=O)NNc2ccc(C(F)(F)F)cn2)c1	775254874	HFIHREUWMXBMMA-UHFFFAOYSA-N	402.376	4.610	50	20	HJGD	
Cc1sc([C@H](C)NS(=O)(=O)CCCCCl)nc1-c1ccc(Cl)cc1	780811282	SBRYZQGHMIYLQY-NSHDSACASA-N	407.388	4.771	50	20	HJGD	
COC1CCC(=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1	783777200	IJYGRVJEVKXEEI-UHFFFAOYSA-N	408.527	4.530	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1OC	787144640	KIALRRINWIVLGC-OJLMPMFISA-N	405.281	4.795	50	20	HJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccc(Cl)c(OC)c1	790176205	MOKCOJWYQIIPNF-UHFFFAOYSA-N	400.784	4.689	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1	791494110	RLXSPJWMLPETOY-TVQRCGJNSA-N	420.806	4.729	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC(c2cccc(OC)c2)=NO1	791494629	VZVVKVDPUDWSHN-FQEVSTJZSA-N	409.511	4.525	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3ncnc(Cl)c3C(C)C)ccc2n1-c1ccccc1	798142751	WMPMUMBFNHITSG-UHFFFAOYSA-N	420.904	4.658	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CSc2nnnn2C[C@@H]2CCCO2)cc1	806586221	LOHJXDBKEZDXPP-SFHVURJKSA-N	420.655	4.666	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2cnn(-c3ccccc3C)c2C(C)C)cc1C	812725079	VZQHMZJHEPIRJI-UHFFFAOYSA-N	420.513	4.546	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCCSc1nc(O)c2cnn(-c3ccccc3)c2n1	821051713	GTRZQPQDBMAESU-UHFFFAOYSA-N	402.596	4.635	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2noc(-c3ccsc3)n2)c(C)n1CC(C)C	879091578	AYFCOTAFSZNDFP-LSCVHKIXSA-N	410.499	4.523	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNC(=S)Nc3cccc(C)c3C)c2C(C)C)cc1	914834105	QIFXDUGZDIMVMB-UHFFFAOYSA-N	421.570	4.552	50	20	HJGD	
COc1cccc2cc(C(C)=NNC(=O)c3ccc(COc4ccccc4)o3)oc12	916360535	WSOUUTPQPVGFFM-UHFFFAOYSA-N	404.422	4.767	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CC2CCCCC2)C2CC2)c(C)n1C[C@@H]1CCCO1	917802334	GAVCVFHXRIQMGC-YMSBRDKKSA-N	409.574	4.762	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1ccccc1Sc1ccccc1	1253719127	RZNBENFUELSPOO-UHFFFAOYSA-N	400.301	4.752	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)c(Cl)c1	1788588509	VTKDQHWSMYIELV-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
O=C(CCc1cccs1)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791603582	PKNMVFDAIXQMOX-UHFFFAOYSA-N	411.354	4.619	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)[C@H](CC)c3ccccc3)C2)CC1	1809007179	XWTIGAAQTVKZRQ-RTWAWAEBSA-N	419.009	4.819	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1	1825874598	ALXJWGTWUUTTNC-VQTJNVASSA-N	408.970	4.537	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)C(=O)c3ccccc3C)cs2)cc1	7211277	HDGPCSCXYNEALM-SFQUDFHCSA-N	417.490	4.935	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(C(F)(F)F)cc2)c1C	16816091	NESQFHSMKHTRMX-GDXCHIGESA-N	420.431	4.982	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1C	303289050	KKBKSTRXLCHSSQ-PDGQHHTCSA-N	423.517	4.642	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(OC(F)F)cc1	727432288	CXAYJAXGRLEYRK-BOPFTXTBSA-N	411.408	4.512	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Cl)cc3)s2)cc1OC	727859328	SAVBHJVGTCWKOL-UHFFFAOYSA-N	403.891	4.546	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(c3ccc(F)cc3)CCOCC2)c1C	730502129	XKDWSALEPUMFQY-PGMHBOJBSA-N	423.532	4.773	50	20	HJGD	
CCC(=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N)c1ccc(OC)cc1	730557677	NEDUZTZCBNAQBH-UHFFFAOYSA-N	409.511	4.559	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1ccccc1SCc1cccs1)c1ccccc1	732000999	RFJCQSSUQDMKPX-GOSISDBHSA-N	410.564	4.995	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(Cl)s1	734007310	PUXDYDGWAOGQGF-ZYHUDNBSSA-N	411.980	4.683	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccc(Cl)s1	734070339	XVKADWUUHUOPQY-LBPRGKRZSA-N	418.371	4.629	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3C#N)c2)cc1	734305671	ZRVFXCKIZPUXIQ-ZMOGYAJESA-N	407.473	4.669	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1	736212635	SGHOEMLTXYJVCW-QFXGEWDLSA-N	424.928	4.618	50	20	HJGD	
Cn1c(C(=O)NNc2c(F)cc(F)cc2Br)c(Cl)c2ccccc21	742108361	MUQJOLNSSBYLHH-UHFFFAOYSA-N	414.637	4.629	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1C	744834082	BWOYVQBPNWCVLA-LCYFTJDESA-N	419.453	4.669	50	20	HJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3ccccc3Br)c2)cc1	748060062	MCZQJZZJAYMRIT-UHFFFAOYSA-N	407.271	4.821	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)cc1	748809309	RVOHZVYYUXMKKJ-STZFKDTASA-N	401.466	4.538	50	20	HJGD	
CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	750045481	RLTWPQFQRMZZCX-LSHDLFTRSA-N	405.433	4.553	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2ccc(Cl)cc2n1	752793094	QVXFJYLSMLHCRN-UHFFFAOYSA-N	410.739	4.572	50	20	HJGD	
N#Cc1ccc(NNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1Cl	753301120	XACNODMXBRZLGX-UHFFFAOYSA-N	403.294	4.674	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H](C[C@@H]1CCOC1)c1ccccc1	754652709	GHHLFAFZRKEOMX-SUMWQHHRSA-N	411.399	4.639	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1CCC(F)(F)F	759659881	DDVBRSXGSGSESJ-UHFFFAOYSA-N	406.326	4.880	50	20	HJGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cc(Cl)ccc1Sc1ccccc1	759848125	AAGJCCCZULQMHC-UHFFFAOYSA-N	423.885	4.693	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1	762011706	CTMNIUUJQSCHKJ-XPFMCRKWSA-N	414.509	4.583	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)cc1OC	765613361	KWCQHEFDGXGJRO-MDWZMJQESA-N	403.232	4.829	50	20	HJGD	
CCOc1ccccc1Oc1ccc(CNC(=O)[C@@H](Br)C(C)(C)C)cn1	767032552	MKTXLNQNJLYMSG-GOSISDBHSA-N	421.335	4.698	50	20	HJGD	
O=C(NNc1ncccc1Cl)Nc1ccc(OCc2ccccn2)c(Cl)c1	769986330	RGRVWRPZTKVTQR-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)NNc2c(C)cccc2F)ccc1OCc1ccncc1	771300650	BWRVLHPJTKLDKL-MRXNPFEDSA-N	424.476	4.504	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCCO2)C(=O)c1cccc(F)c1	772172218	PYDAXUOHZSFPHZ-AUWJEWJLSA-N	402.219	4.539	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1cc(Br)cc(Br)c1	774340327	NBJZINOSYMCLJP-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc2cccnc12	783789034	ZPMXECNGPSEXNT-UHFFFAOYSA-N	417.472	4.917	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(SC2CCCC2)cc1	785179269	ZZSJMQWNDQIEFN-UHFFFAOYSA-N	407.898	4.596	50	20	HJGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1	787146372	XQIKAFZWZIZICJ-ZENNRRHLSA-N	402.281	4.736	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(OC)c(OCC(C)C)c2)cc1	787151822	RTDSCGRTFHPNIP-SYERDGIWSA-N	408.498	4.523	50	20	HJGD	
CO[C@@H]1CCOc2c(NC(=O)NN(Cc3ccccc3)c3ccccc3)cccc21	790575889	HQCZINURQPUMKB-JOCHJYFZSA-N	403.482	4.900	50	20	HJGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1	791928288	RWEZMKGDEQNKSJ-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
Cc1c(C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)sc2ccc(C#N)cc12	794279062	OBSPNVFJIMHJEQ-UHFFFAOYSA-N	424.551	4.500	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(C(C)(C)C)nc2)c(C)n1C[C@H]1CCCO1	797303366	QUJAUVVMBLZCKT-UHSICZIDSA-N	421.541	4.627	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NNC(=O)Nc1ccc(Cl)cc1	802015283	HWHOLSJVVWHQQY-UHFFFAOYSA-N	421.309	4.512	50	20	HJGD	
O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	804877140	DVBDUUHIDDWHFM-ROUUACIJSA-N	414.637	4.750	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	806864057	BJEFYODDYITWQO-RRFJBIMHSA-N	419.451	4.607	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc(OC)c1OCC(F)F	809147595	QMMQNKHZCCSFOP-LZYBPNLTSA-N	416.424	4.510	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3sccc3c2)c(C)n1C[C@H]1CCCO1	811589376	KDQCZCWXOHJCAO-UHSICZIDSA-N	419.550	4.722	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2c(Cl)nc(Cl)n2-c2ccccc2)c2ccccc2n1	814714203	WLOLMGPWYKVFKQ-UHFFFAOYSA-N	424.291	4.800	50	20	HJGD	
Cc1nn(-c2ccccc2)c2nc(Cl)c(C=NNC(=O)c3cccc(Cl)c3)cc12	814732897	XXIGSFBCYOABTP-UHFFFAOYSA-N	424.291	4.800	50	20	HJGD	
O=C(NN=Cc1ccccc1OCc1ccccn1)c1ccc(Cl)cc1Cl	819840949	MDHUPIWOVXVUFW-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
Cc1ccc(-c2[nH]ncc2C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)o1	839384690	YUIKEXTXLUSEJF-UHFFFAOYSA-N	421.284	4.594	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)[C@H](C#N)c3nc(C)cs3)c2C)cc1	916843695	COFGGWDZMKVLPA-YJXRAILPSA-N	416.506	4.651	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3nnco3)cc2)c1C	918579658	DFWOBJUUBRDDMA-BKUYFWCQSA-N	423.476	4.998	50	20	HJGD	
COc1ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)cc1	1786012451	GVVXMWUAXSVMNP-UHFFFAOYSA-N	414.933	4.708	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@@H]3CCCC[C@H]31)C2	1793680928	PCIFXKSPUYUREO-MCLWVUGISA-N	409.014	4.639	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C4CC4)cc3)CC2)C1	1806164503	JGTVGQCFWHRBNS-NRFANRHFSA-N	416.993	4.816	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1815322283	NMZCJSWPYKDFJI-NYQNCTAXSA-N	420.985	4.946	50	20	HJGD	
O=C(NNC(=O)c1oc2ccccc2c1CSCc1ccccc1)c1ccccc1	7766067	JMJGKYISYNWSJZ-UHFFFAOYSA-N	416.502	4.941	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1sc2cc(F)ccc2c1Cl	16055501	XYLLPAQMYSFOTK-UHFFFAOYSA-N	414.314	4.979	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccncc1)C(=O)Nc1ccccc1F	213495401	TUISXWAJLGKUCE-JXAWBTAJSA-N	409.424	4.619	50	20	HJGD	
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NNc2ccc(F)cc2)c1	301240169	MEDUPZSYHZBZAG-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1C	302892808	ISAASBTVKOLHFB-JWGURIENSA-N	420.557	4.533	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nn1)C(=O)Nc1ccccc1Oc1ccccc1	728694897	MGWSTUXPJUGCAM-SDXDJHTJSA-N	407.433	4.605	50	20	HJGD	
O=C(NNC(=O)C1CCC1)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1	732463939	NRMLTTQATPZNSL-SFHVURJKSA-N	424.303	4.547	50	20	HJGD	
COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1OCC(F)(F)F	741463075	XFYUWMQQFDMXEK-UHFFFAOYSA-N	402.372	4.553	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](C)c2cccc(OC(C)C)c2)c(Cl)c1	743535935	DDFMICWYMHKMCR-CQSZACIVSA-N	404.898	4.533	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(C2CC2)nc2ccc(F)cc12	748073971	JPXXFQFSDSQJLN-UHFFFAOYSA-N	418.241	4.910	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNc1ccc(F)cc1Br	748076183	AUZGLJQLZGWLQP-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	748650581	NXAUEFCZOBYBLC-CCHVVGMOSA-N	404.379	4.880	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2Br)o1)NNc1ccc(Cl)cc1	749273687	SSEOXVQDHFPJAX-UHFFFAOYSA-N	420.694	4.833	50	20	HJGD	
Cc1cnc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)s1	750087166	BEHOMBKSKISJPY-PACYTGELSA-N	408.502	4.783	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1	751782538	VDVOXIUREQFBOV-ZHZULCJRSA-N	411.436	4.574	50	20	HJGD	
N#Cc1cccnc1NCCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752989960	HMRIVZQQXXPXHW-UHFFFAOYSA-N	407.368	4.844	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(C)n(C2CCCCC2)n1	753178952	XDKZUJYQGLHJKF-UHFFFAOYSA-N	405.340	4.779	50	20	HJGD	
O=C(CCNC(=O)OCC(F)(F)F)Nc1ccc(S(F)(F)(F)(F)F)cc1	753626121	OWKMLXKCOWIWEP-UHFFFAOYSA-N	416.290	4.961	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2nc(C(F)(F)F)cs2)c1	755855552	ZKSLAIQBRRXRFL-UHFFFAOYSA-N	420.844	4.557	50	20	HJGD	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc(CCCl)cc1	755982229	JGOXNRBWACQQSE-CQSZACIVSA-N	400.997	4.738	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)NNC(=O)c2cccc3ccccc23)cc1	756415870	KZHYGJMVBLDKSC-UHFFFAOYSA-N	420.469	4.653	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	762250850	KUMCONAALXXENX-UHFFFAOYSA-N	414.252	4.513	50	20	HJGD	
CC(C)c1nc(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c2ccccn12	762605004	RYZSKKSODLJXMY-LFIBNONCSA-N	414.494	4.522	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](c3nccn3C)C2)c(C)n1C1CCCCC1	768138001	FAYDCWFLAXPCBX-INKLHFNDSA-N	419.573	4.657	50	20	HJGD	
COc1ccc(CCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	772797070	IYYMIVXUMATIAJ-UHFFFAOYSA-N	424.391	4.650	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cccnc1SCc1ccc(F)cc1	775276641	OMKJSFREORTDRB-UHFFFAOYSA-N	423.300	4.972	50	20	HJGD	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NNc2cccc(Cl)c2)C1	775482392	XFNYVTQMTIZDNN-HUUCEWRRSA-N	400.910	4.607	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)c(Br)cc1O	775639816	VQCBABITFJGPBV-IZZDOVSWSA-N	424.197	4.555	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1	777482973	XKWHEYMFYVCOGD-UHFFFAOYSA-N	420.904	4.658	50	20	HJGD	
CCc1noc(CC)c1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777998085	BLUOBYHLTZFEPA-UHFFFAOYSA-N	420.425	4.935	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1ccccc1[N+](=O)[O-]	781669386	LDYHTJUTNDTSJO-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NNC(=O)C1CCC1	782578230	YIULGPKABMRNLA-UHFFFAOYSA-N	423.492	4.685	50	20	HJGD	
O=C(NNc1ccccc1F)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1	782708496	PLOPRFHRBRDSNW-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
CC(C)(C)Sc1ccc(NC(=O)C(=O)NNc2cc(Cl)ccc2Cl)cc1	783369238	HSEGVBZQNJLHDL-UHFFFAOYSA-N	412.342	4.966	50	20	HJGD	
O=C(O)CCN(C1CCCC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790620807	FWMTXNCYVGZEAH-UHFFFAOYSA-N	423.425	4.752	50	20	HJGD	
Cc1c(NC(=O)NNc2cc(Cl)cc(Cl)c2)cccc1C(=O)N1CCCC1	792283431	MZYZSUMQILUGKZ-UHFFFAOYSA-N	407.301	4.686	50	20	HJGD	
CC(C)(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)n1cc([N+](=O)[O-])cn1	792549898	KGGNZXNFAMVUDX-UHFFFAOYSA-N	400.329	4.823	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2	799439387	JGEARJXNYXKNJV-OAHLLOKOSA-N	416.510	4.507	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)[C@@H]1CCCc2sccc21	804208944	FPDNPXDAXHVTKP-OAHLLOKOSA-N	418.444	4.787	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1csc(-c2cccc(C(F)(F)F)c2)n1	805470599	ZVYDSUOZUPOABC-UHFFFAOYSA-N	419.432	4.643	50	20	HJGD	
COc1ccccc1NC(=O)C1CCN(Cc2ccc(OCCCCl)cc2)CC1	811456105	DKOUKRJNQSBVPV-UHFFFAOYSA-N	416.949	4.554	50	20	HJGD	
O=C(NN=Cc1c[nH]nc1-c1cccs1)c1ccccc1OCc1ccc(F)cc1	812386833	BBTIXXIJDVHUOB-UHFFFAOYSA-N	420.469	4.620	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@H]1c2ccccc2CC12CCOCC2	812561124	DJGYSVDWJVASTJ-SFHVURJKSA-N	406.313	4.714	50	20	HJGD	
CCn1nc(NC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C1CC1	814660042	QLJQQVLXOGQIQP-UHFFFAOYSA-N	421.345	4.967	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	816338315	DWHGZBLOSBPPGW-UHFFFAOYSA-N	424.259	4.872	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1	898462622	RTBNKRPSGCUPNM-GFCAVMEOSA-N	423.582	4.643	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c1C	904159435	YVXMYAIKFMZGML-UYRXBGFRSA-N	407.518	4.591	50	20	HJGD	
CCN(Cc1ccccc1Cl)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	914502021	PRKCSGCXOPNKSG-KKJJZKEWSA-N	413.949	4.921	50	20	HJGD	
CCOC(=O)C1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	915341336	SWOBAWCBPLZSGW-HNNXBMFYSA-N	424.872	4.713	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)c1C	916080333	GOLVIELTZZCIJP-IAFVPKPBSA-N	423.557	4.951	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1C	916220422	GUDFGFCXLYHPSB-HKWRFOASSA-N	404.514	4.578	50	20	HJGD	
O=C(NCc1ccc(N2CCCCCC2)nc1)NNc1ccc(Cl)cc1Cl	918205909	WQPSCLDJCAQROG-UHFFFAOYSA-N	408.333	4.595	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)n1	920388299	VMZCPDBEBWKFLM-WOJGMQOQSA-N	420.490	4.972	50	20	HJGD	
O=C(NNC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1ccccc1	921145932	UPEAODKUFGNWPK-UHFFFAOYSA-N	420.465	4.939	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(COc3cc(C)ccc3C)o2)c1C	1117173714	PNBLSKCWAHJTGT-DUQUIBLKSA-N	420.513	4.955	50	20	HJGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	1318441930	DVCMDCUEIDTTHE-UHFFFAOYSA-N	414.248	4.654	50	20	HJGD	
CCOc1ccsc1C(=O)Nc1ccc(C2(NC(=O)[C@H](Cl)CC)CCC2)cc1	1785774347	OWBXRCJYLSKSLC-MRXNPFEDSA-N	420.962	4.912	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cccc(F)c1F	1790329129	RNEKINLUKHIEKW-UHFFFAOYSA-N	413.251	4.516	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1	1790491836	MMKYINYKJAEGCZ-SFHVURJKSA-N	411.354	4.732	50	20	HJGD	
Cc1cc(C)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)c1	1820540075	AYMRHXMWMLPOAD-GOSISDBHSA-N	416.953	4.597	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](C)c2ccccc2)n[nH]1	1822043977	CPICZWDKHMHHLJ-VDZJLULYSA-N	416.953	4.613	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCc2nc(-c3ccccc3)no2)c1C	27265207	LOMCECAMNJYJGF-RCCKNPSSSA-N	418.497	4.648	50	20	HJGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	727737809	BRPVZJVOWQTAQU-MXDDHBLUSA-N	421.932	4.574	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@H](CO)c1ccccc1	729554311	ZWPZXEFTRJYAHT-UKRRQHHQSA-N	404.841	4.761	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)c1cc(F)c(Cl)cc1Cl	731218859	KDCXQJDCAGUGLE-LLVKDONJSA-N	412.292	4.502	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C	731332116	DIXMYUDHKTYJIL-TYSUYXETSA-N	422.554	4.691	50	20	HJGD	
Cc1c([C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C(C)C)oc2ccccc12	732704344	AVZVXDSFXGYSGR-IBGZPJMESA-N	411.527	4.633	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1cncc(F)c1	737418280	SBQMAEWPRNTIAZ-UHFFFAOYSA-N	419.485	4.543	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCc3cc(F)ccc3[C@H]2C)c1C	737699558	WOBGIOXKZACDEF-WEIACGKOSA-N	409.505	4.504	50	20	HJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNC(=O)c2cc(F)ccc2Br)cc1	737838559	QTZPGURACKIIQI-CYBMUJFWSA-N	421.310	4.666	50	20	HJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1F	739423676	BKPGOSLLUPPFKW-GZTJUZNOSA-N	421.501	4.736	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1C	743807556	HVRHPVZIDGTVPM-UHFFFAOYSA-N	410.481	4.971	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)Nc1ccc(-c2ccccc2)cc1	743827234	VCHOHCHRDFKOAL-RBUKOAKNSA-N	407.420	4.588	50	20	HJGD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)NN(Cc2ccccc2)c2ccccc2)cc1	745037160	BVDMFBXCGVCPTD-OAQYLSRUSA-N	416.521	4.714	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cnc2ccccc2c1C(F)(F)F	748059789	CVVWJGFWTVLAFJ-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
Cc1ccc(-c2nnc(-c3ccc(C(=O)NNc4cc(F)c(F)cc4F)cc3)o2)cc1	748795314	HTDHVEPYLOTOPZ-UHFFFAOYSA-N	424.382	4.886	50	20	HJGD	
CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752975564	VABTXTLRLNREJJ-CQSZACIVSA-N	417.444	4.919	50	20	HJGD	
COc1cc(F)cc(NNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1	759325464	KROLOVAIGIAOKH-ZDLGFXPLSA-N	410.493	4.808	50	20	HJGD	
O=C(NN[C@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1cc2ccccc2o1	762639856	HGEVMQJYLFAEDD-OAQYLSRUSA-N	410.433	4.507	50	20	HJGD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)NNc2c(Cl)cccc2Cl)cc1	763625373	XDJYALUEHHCABB-GFCCVEGCSA-N	412.342	4.505	50	20	HJGD	
COc1cc(C(=O)NN=C2CCC(C(F)(F)F)CC2)ccc1OCCC(C)C	766016444	WRYZKVPCWYDILM-UHFFFAOYSA-N	400.441	4.958	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H]3CCOC4(CCC4)C3)c2C)c1	769341073	MNZVAZYTMZPZOR-BHJKQYKASA-N	403.526	4.527	50	20	HJGD	
CCS(=O)(=O)c1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	769942072	GNWQEBHWPBMVSK-UHFFFAOYSA-N	422.721	4.589	50	20	HJGD	
O=C(NCCSC(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772926463	GARMLLNUVPCYPJ-UHFFFAOYSA-N	418.331	4.652	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(C(=O)N2CCCCCC2)cc1	775533814	YIHSKOOWVODSAB-UHFFFAOYSA-N	422.316	4.553	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H]1c1ncc[nH]1	778063435	SYIOSGDDRAYKOP-LBPRGKRZSA-N	403.398	4.593	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2nc3ccccc3o2)c1C	781807332	MRIFFZKBJSVHMZ-DUBSOOLMSA-N	407.470	4.665	50	20	HJGD	
Cc1cc(NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)nn1CCC#N	782700385	VFTQQTOFVVDKNY-AWEZNQCLSA-N	417.844	4.969	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1C	786237779	KYBBYQSOFDNDKZ-FPHNSIFGSA-N	405.498	4.843	50	20	HJGD	
CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)CC2	788019218	JRJLBSGMSCRCHD-FCHUYYIVSA-N	419.682	4.960	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3nc(C)sc3c2)c1C	790021604	VJCSZUZFNSYQLX-WXARJGPPSA-N	408.527	4.776	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1ncccc1C(F)(F)F	790766923	YVBWYUXJUWRVGC-UHFFFAOYSA-N	424.423	4.523	50	20	HJGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)C(=O)Nc1cc(C)c(Cl)c(C)c1	799834983	CROQFJFRMADCIX-UHFFFAOYSA-N	417.296	4.549	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2c(F)ccc(Br)c2F)cc1	799891833	HBPXOWRYJINCEY-GJSJWPQCSA-N	421.241	4.520	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cn4ccc(Br)cc4n3)c[nH]c2c1	811688879	UOGIBUGUQCPXJB-QPEQYQDCSA-N	405.255	4.676	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	812921729	CKAUQQFSEMSFJX-UHFFFAOYSA-N	400.910	4.813	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2cccnc2)Cc2ccco2)c(C)n1CC(C)C	874962902	QISOJIZREHHUOB-FMCGGJTJSA-N	416.525	4.885	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1	916380792	QTAOZCMNNBBEGT-OAHLLOKOSA-N	408.889	4.980	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	918708900	ZKSWQLUXJDFEGS-UHFFFAOYSA-N	418.444	4.700	50	20	HJGD	
CC(C)C(=O)NNC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	920499455	GDZFJOQYUXNDMD-UHFFFAOYSA-N	402.903	4.796	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(CCc3ccc(OC)cc3)o2)c1C	1117213270	BPUASVDLOJNOQO-RSZPVBOMSA-N	420.513	4.553	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1C	1322350256	CVGQDURJSWCEHZ-BJLUOBIUSA-N	415.541	4.704	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccc2cnccc2c1	1789013230	RRDSZNOPURCEOQ-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)cc2C)[nH]n1	1815324797	XUKCRHVTAAGKRB-SJLPKXTDSA-N	420.916	4.571	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C3CC3)cc2)n[nH]1	1821306542	KGFTWRTYXHMIJX-MJGOQNOKSA-N	414.937	4.610	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2csc(COc3ccc(C)cc3)n2)cc1	63276149	BJRMWZPUZDYZHC-SFQUDFHCSA-N	419.506	4.975	50	20	HJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1Cl	727263433	CEYPIQFCDAHTHE-YBEGLDIGSA-N	422.897	4.969	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1OC	727655148	PMNFZSRTRXKEHO-NVNXTCNLSA-N	400.272	4.873	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2Cl)cc1Cl	730434463	NDAIIUWTHHEVAL-XYOKQWHBSA-N	407.253	4.565	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1C	732163347	UAQOZOGIWPFTCV-LICLKQGHSA-N	409.921	4.658	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1	737803724	WYZYBRWSEGUCQY-JTQLQIEISA-N	401.772	4.904	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nc4c(C)ccnc4[nH]3)cc2)cc1	741471532	BDCRVIQWGDTYBZ-DEDYPNTBSA-N	424.460	4.696	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cc(C2CC2)nc2ccc(F)cc12	742668637	ASUMZIZDWWJXPX-UHFFFAOYSA-N	423.835	4.712	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc(C#N)n1C	742771636	CLYXHLCOASCLKG-SXGWCWSVSA-N	417.856	4.592	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NNc1ccnc2cc(Cl)ccc12	743295691	AGCUWRLOICABCT-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccn2)c(C)n1-c1ccc(Cl)cc1	743722624	VYPREKXPQBEAPB-HUCUOGIVSA-N	404.901	4.927	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(C)=O)c3)c2C)c1	744843485	MIHNMQORPWNGSK-MTJSOVHGSA-N	413.477	4.851	50	20	HJGD	
CC(C)c1ccc([C@@H](NC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C(C)C)cc1	745340997	FPJCMYCQWSZYJB-NRFANRHFSA-N	411.550	4.609	50	20	HJGD	
COc1ccc(C(C)=NNC(=O)N(C)C)cc1CSc1nc2ccccc2s1	745605244	NAUFKVWVTZVKDT-UHFFFAOYSA-N	414.556	4.592	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1nccnc1-c1nc2ccccc2s1	748009470	MIOIWBJIYZVRFE-UHFFFAOYSA-N	416.293	4.817	50	20	HJGD	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NNc1ccccc1F	748059095	HUQDSKQRBGSUQP-UHFFFAOYSA-N	421.856	4.997	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1C(F)(F)F	748694891	WNRWAQSKWCBGJM-LLVKDONJSA-N	406.326	4.893	50	20	HJGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	749542700	KDSPMOIUEUNRAI-UHFFFAOYSA-N	404.175	4.649	50	20	HJGD	
CC(C)[C@@H](CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCOCC1	752981448	SIDLSUOXTDECIL-OAHLLOKOSA-N	417.444	4.822	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2c(Cl)oc3ccccc23)c1Cl	761250426	ODXAWIATMYLZHZ-UHFFFAOYSA-N	418.067	4.788	50	20	HJGD	
Cc1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)ccc1-n1cnnn1	762519229	SAZFOLWQDSGHLH-UHFFFAOYSA-N	405.352	4.880	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCN(C[C@@H]2CCOC2)CC1	762965841	LZWYIAPPPZDTNG-ZDUSSCGKSA-N	415.428	4.530	50	20	HJGD	
Cc1nn(-c2ccccc2)c2ncc(C(=O)NNc3c(Cl)cccc3Cl)cc12	763615440	DGMAQAVDILUOBS-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
CC(C)n1ncc2cc(NC(=O)NNc3ccc(F)cc3Br)ccc21	770031953	GPSBARFGJSFCTC-UHFFFAOYSA-N	406.259	4.667	50	20	HJGD	
Cc1noc(C)c1C(=O)COC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	771926579	GODWOBICQPSHIK-YBFXNURJSA-N	409.486	4.548	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cc(Br)cc(Br)c1	773496635	XRIPMWQUKRJJID-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(COc2ccccc2C#N)c1	777479050	FCSOFSUHLFRLOO-UHFFFAOYSA-N	408.461	4.751	50	20	HJGD	
C=CCC[C@@H](C(=O)NNC(=S)Nc1cccc(Br)c1)c1ccccc1	777765501	GBKLPWFXTVZUMA-QGZVFWFLSA-N	418.360	4.517	50	20	HJGD	
CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC=C(C#N)CC2)cc1	779586391	UAERFRXQPNPZPK-UHFFFAOYSA-N	411.889	4.625	50	20	HJGD	
COc1cc(C(=O)N2CC=C(C#N)CC2)ccc1OCc1ccc(Cl)cc1Cl	780685790	RXMMNJOGQJGWCA-UHFFFAOYSA-N	417.292	4.877	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c2ccccc2n1	782128781	XMBVTXMAZQZQNH-UHFFFAOYSA-N	423.398	4.716	50	20	HJGD	
CC(C)CCOc1ccc(NC(=O)C(=O)NNc2cc(Cl)ccc2Cl)cc1	783371893	QRPKMSZONDFWBW-UHFFFAOYSA-N	410.301	4.500	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(NC(=O)NCC)c2C)c1C	790129705	PXXRFEIMRURSNB-CPNJWEJPSA-N	407.518	4.510	50	20	HJGD	
CC(C)CCSc1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1[N+](=O)[O-]	790588196	PEZUZIVUAYJTDW-UHFFFAOYSA-N	422.438	4.537	50	20	HJGD	
CSSCCNC(=O)c1ccccc1Sc1ccc(Br)cn1	791151629	APWOBXGFOHITLZ-UHFFFAOYSA-N	415.403	4.736	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1	792550228	OXIXSZZMJHNTJS-GFCCVEGCSA-N	421.391	4.726	50	20	HJGD	
N#C/C(=C/c1ncc(I)s1)C(=O)c1cc2ccccc2s1	794711335	CLNHWMJBNOWDIC-POHAHGRESA-N	422.272	4.752	50	20	HJGD	
Cc1cccc(CCCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1	796004186	DOIYRXKDDPRNCX-UHFFFAOYSA-N	416.437	4.959	50	20	HJGD	
C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	796114467	KTXBVFOXSBZUHM-QWHCGFSZSA-N	420.469	4.591	50	20	HJGD	
Cc1csc(CC(=O)NN=Cc2ccc(-c3ccccc3Br)cc2)n1	800809701	VFPMTBYNRPUSMX-UHFFFAOYSA-N	414.328	4.574	50	20	HJGD	
CC(C)n1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)nn1	807946351	IPYJHMPWODAGIW-UHFFFAOYSA-N	413.934	4.569	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H]1COc2ccccc2[C@H]1O	808843101	LINIRVVHTRTREZ-DZGCQCFKSA-N	410.364	4.960	50	20	HJGD	
Cc1cc(Br)cn2cc(CNCc3ccc(OCCCCl)cc3)nc12	811490961	WRUWTAAJIOSWDX-UHFFFAOYSA-N	422.754	4.703	50	20	HJGD	
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1cc(C)cc(C)c1	857497759	QZCHJMVVMADHHS-UHFFFAOYSA-N	412.493	4.922	50	20	HJGD	
Cc1noc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	913356919	VHYKRTORSFZJMT-DUPVFGOHSA-N	410.861	4.650	50	20	HJGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	915938684	CBMNYXZEVMDONX-UHFFFAOYSA-N	421.551	4.692	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918434177	ONQPDXZRVUFPIH-BTJLNZGRSA-N	422.900	4.882	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(C)n1C1CCCCC1	918618015	FWXHOLVDBWTSQZ-GAISBVLPSA-N	421.545	4.531	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1	918684164	MHXHDCMZKDABNQ-HMMYKYKNSA-N	422.912	4.767	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)CCSc1ccc(F)cc1	921256913	DVYFQCQEZVLOGG-UHFFFAOYSA-N	401.290	4.774	50	20	HJGD	
O=C(NCCc1coc(-c2ccccc2)n1)NNc1c(Cl)cc(F)cc1Cl	1319911213	HSBWFHZDRAXCKI-UHFFFAOYSA-N	409.248	4.656	50	20	HJGD	
O=C(/C=C/C1CCCC1)NC1(c2ccc(NC(=O)CCBr)cc2)CCC1	1787674157	QKXVHAWWKILLOA-IZZDOVSWSA-N	419.363	4.652	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cscc2C)CC1	1824613169	HHVYGGWSPKTPJK-OALUTQOASA-N	411.011	4.697	50	20	HJGD	
CCCn1c(C)cc(/C=C(C#N)\C(O)=N\c2cc(S(C)(=O)=O)ccc2Cl)c1C	96585687	MZEXSNYISNWJIL-YBEGLDIGSA-N	419.934	4.767	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1OCC(=O)Nc1ccccc1	207812898	GIZVGAUXEMMUHZ-AQTBWJFISA-N	406.482	4.625	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3cccnc3)cs2)c(C)n1CC(C)C	261366621	MSBIXNIWDAGWBZ-OCKHKDLRSA-N	405.527	4.825	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(-c3ccccc3OC)cc2)cc1	303889673	PIEOBOQQSUPBSO-OQKWZONESA-N	412.489	4.637	50	20	HJGD	
CSCCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	727670381	UTRHPWVIERGXCE-YJADQXIJSA-N	423.582	4.735	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1c(Cl)cccc1Cl)[C@@H](C)c1ccccc1OC	727846372	CZYRKSZNXIFCTL-ZDUSSCGKSA-N	424.328	4.830	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1sc2cc(C)ccc2c1Cl	729304786	DBRPCZUVDALBMV-UHFFFAOYSA-N	409.294	4.600	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)NCc1ccccc1Oc1ccccc1C	730129578	VYMYBEXWTRZYDU-UHFFFAOYSA-N	404.470	4.632	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c3cccnc3)c2C)cc1	733376913	IEVMOGSDWWOQFZ-LANLRWRYSA-N	401.466	4.709	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1c(C)nn(CCCl)c1C	733923801	BLQFPRPAHUSJSG-CYBMUJFWSA-N	402.951	4.662	50	20	HJGD	
C[C@H]1C[C@@H](CC(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC(C)(C)C1	734257875	ULLVBIXXNNGTRX-KBPBESRZSA-N	421.467	4.853	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1	737952880	UCJBRFMMEIPAHM-UCMHQZMOSA-N	417.553	4.504	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)sc1C	743783436	ONZQECKVZXRFIZ-ZDLGFXPLSA-N	408.502	4.530	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)c1C	744855219	ZXBHHJFNZGETQE-JXAWBTAJSA-N	400.438	4.780	50	20	HJGD	
Cc1nc(CNC(=O)NNc2c(Cl)cc(Br)cc2Cl)sc1C	745923853	XZXBPPKLYRVUAA-UHFFFAOYSA-N	424.151	4.656	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3cccc(C(F)(F)F)c3)s2)cc1	747405519	HGNKNQHBOKVNFR-UHFFFAOYSA-N	407.417	4.903	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)no1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	750044499	YGSMYBJGIVIWTI-SSDVNMTOSA-N	406.417	4.818	50	20	HJGD	
O=C(CCCCCNC(=O)NC1CCCCC1)NNc1cc(Cl)ccc1Cl	752813148	RTUFXBVTERDZKP-UHFFFAOYSA-N	415.365	4.629	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1sc2cccc(Cl)c2c1Cl	755187109	CMJHELWTSWVFDC-UHFFFAOYSA-N	407.204	4.774	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	755561575	VUWBYTLKIVKQDK-UHFFFAOYSA-N	407.442	4.912	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1cccc(CSC2CCCC2)c1	756709407	ZHFRBNDPQWIBTG-UHFFFAOYSA-N	422.554	4.739	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)cc1C	766555702	JYDGUYQCHAIXGH-OXQOHEQNSA-N	405.608	4.777	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ncco3)cc2)c1C	766674191	YSCCFYBDXXWPGM-DDLUMYACSA-N	404.470	4.513	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)c(Cl)c1F	767638328	UDAHHTLZAGXAAI-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
CSc1cc(/C(C#N)=C/c2cc(Br)cc(C)c2OC(F)F)ncn1	773176430	LZABFJOTXYCWHA-NYYWCZLTSA-N	412.259	4.935	50	20	HJGD	
Cc1cc(NC(=O)NNc2cccc(C(F)(F)F)c2)ccc1OC1CCOCC1	775636531	IKYJNJZNMKHXPT-UHFFFAOYSA-N	409.408	4.720	50	20	HJGD	
O=S(=O)(NCCOc1ccc(F)cc1)c1cccc(S(F)(F)(F)(F)F)c1	777874331	HFBYAOITROTMHA-UHFFFAOYSA-N	421.384	4.840	50	20	HJGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(Sc2ccc(Br)cc2)cc1	782541812	LXELMNGMJNTISG-UHFFFAOYSA-N	420.332	4.553	50	20	HJGD	
Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782820957	GFOCADLXAZNFKD-UHFFFAOYSA-N	422.488	4.865	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ncc(C(C)C)s2)c1C	783490979	WYEPWNHRMQDGHC-VHXYRJIDSA-N	401.532	4.543	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cnc3c(C)cc(Br)cn23)c1C	783696188	JMIWKACJOOMKQP-OVCLIPMQSA-N	409.287	4.568	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1	784414990	ZOHBRTSUIJKLAK-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
O=C(Cc1ccc(Br)c(Cl)c1)NNc1ccccc1Br	787134126	TULWXBHHFKCBJQ-UHFFFAOYSA-N	418.516	4.551	50	20	HJGD	
Cc1cccc(CCNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n1	791729049	KGKQUQDHEOSHGO-HNNXBMFYSA-N	403.857	4.974	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1	792894704	DFWBTNCEOKZWCB-AULYBMBSSA-N	412.704	4.537	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1nccnc1C(C)C	798003503	NXCTXGRIASWUKC-UHFFFAOYSA-N	406.273	4.627	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1Oc1ccncc1	801177407	RQUZNXWVIZIBMS-UHFFFAOYSA-N	403.360	4.572	50	20	HJGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	802037529	KAFINHUBLCBCGE-UHFFFAOYSA-N	405.502	4.686	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc(Cl)cc(Br)c1F	816486725	PVLPBCPKSGVTRP-UHFFFAOYSA-N	422.085	4.565	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1ccccc1C(=O)c1ccc(F)cc1	890733392	UITPQPHBZZHUHO-UHFFFAOYSA-N	413.246	4.576	50	20	HJGD	
CC[C@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	914466692	NTPSBGICJBUWPF-AOMYKUFJSA-N	423.520	4.681	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N(C[C@H]1CCOC1)C1CC1	915341184	OJEKWKOSMDPVQK-ABAIWWIYSA-N	408.873	4.939	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccccn2)C(C)C)c(C)n1-c1ccccc1F	917775985	FFTYGRCDBWUUBB-STZFKDTASA-N	416.500	4.972	50	20	HJGD	
Cc1c([C@H](C)NC(=O)NNc2ccccc2C(F)(F)F)cnn1-c1ccc(F)cc1	918210755	YKPNSBNOOSPLSM-LBPRGKRZSA-N	421.398	4.726	50	20	HJGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	1318440526	BEDKPAJGNHEERR-UHFFFAOYSA-N	414.248	4.654	50	20	HJGD	
O=C(NN=C1CC(c2ccc(Br)cc2)C1)c1ccc(Br)cc1	1326227035	IDPAAOIVGWTLRD-UHFFFAOYSA-N	422.120	4.875	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(C)c1Cl)C2	1800077690	WVENCKQGOYMGJL-QVHKTLOISA-N	417.764	4.571	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1845166421	SWFDZFJRRLKDAL-GOSISDBHSA-N	419.437	4.957	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)cc1	6209321	QLDLAQOPAVXPJC-XSFVSMFZSA-N	409.445	4.993	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc3ccccc3nc2N2CCOCC2)cc1	21190492	XPMVPHARDNEHLW-HAVVHWLPSA-N	411.505	4.814	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1OCC	72040172	HPFRHEPJSCGUNW-GDNBJRDFSA-N	400.862	4.692	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1C	206746863	MONSYJSZXCCBGP-WQRHYEAKSA-N	424.888	4.869	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2N2CCCCCC2)c1C	219044204	RKUGKKNTZBFDRX-XLNRJJMWSA-N	420.557	4.677	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(Cl)cc1Cl	252596072	CGSGUWMZNKRMIX-UHFFFAOYSA-N	407.688	4.905	50	20	HJGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1	727941046	QJIYQSJGBCLRQF-INIZCTEOSA-N	412.292	4.864	50	20	HJGD	
N#C/C(=C/c1csc(-c2cccs2)n1)C(=O)Nc1nc(-c2ccncc2)cs1	728439418	KMUWHVMXUPYZPP-JYRVWZFOSA-N	421.532	4.936	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)c2ccc(C)cc2)c1C	728484131	ITUAAOZJYOTYBW-MEGCXXLRSA-N	407.558	4.622	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cccc(OCc3cccc(C#N)c3)c2)cc1	734304641	QLYLQXPUJNHGCP-ZMOGYAJESA-N	407.473	4.669	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](Cc1ccccc1)c1cccs1)c1ccccc1	735188261	DCCNCMIHQHNDCL-PMACEKPBSA-N	407.539	4.556	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)Nc1ccc2c(c1)OCO2	741854943	VXNJTKOFZNUAFZ-UHFFFAOYSA-N	414.531	4.685	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1cc(Cl)ccc1Br	743431531	VFUDEADZJQVRRH-UHFFFAOYSA-N	415.715	4.874	50	20	HJGD	
C[C@@H]1C[C@H]1[C@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1	743540992	XWPDORZYOLMIGN-XMDBHEJHSA-N	407.901	4.835	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC3(CC#N)CC3)c2C)cc1	744278689	OZBLSYUUZYNYQS-XSFVSMFZSA-N	403.482	4.637	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1C	747094145	PGVXLVQFMWLBQX-DEDYPNTBSA-N	406.486	4.521	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OCc2cccs2)c1	748732407	HKJZZQSJWHESQY-UHFFFAOYSA-N	403.847	4.646	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccccc2C(=O)N(C)C)c(C)n1C1CCCCC1	751317055	SWEBLBCIPHSZOK-HMMYKYKNSA-N	419.525	4.825	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCO[C@@H]([C@H]2CCCO2)C1	752979166	SAKKLYILHVUUIL-ZIAGYGMSSA-N	402.385	4.756	50	20	HJGD	
Cc1ccnc(NNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)c1	755851199	YETMGYCNYGQNQW-UHFFFAOYSA-N	411.509	4.676	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccccc1CCC(F)(F)F	759657389	IOIYEOYAAAHWCI-UHFFFAOYSA-N	405.189	4.840	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1oc2ccccc2c1CSc1ccccc1F	760915092	UFLOAIHXWMUZFT-UHFFFAOYSA-N	412.421	4.550	50	20	HJGD	
C[C@H](CC(F)(F)F)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	768293640	OLDPIWYEZCGCMH-SSDOTTSWSA-N	400.291	4.740	50	20	HJGD	
Cc1ccnc(-c2ccc(NC(=O)NNc3ccc(Br)c(F)c3)cc2)n1	771151842	FGWYGRPCEWHKSF-UHFFFAOYSA-N	416.254	4.502	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cnc(Cc2ccc(F)cc2)s1	771681202	HWENXMPTRSHMKP-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
COc1ccc(CN(C)C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	772926332	BGDRHDHBAYHLTA-UHFFFAOYSA-N	424.391	4.950	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1	777478516	FLHNSWBHAMEHFO-UHFFFAOYSA-N	405.889	4.756	50	20	HJGD	
O=S(=O)(NCCOCc1ccccc1)c1ccc(S(F)(F)(F)(F)F)cc1	782981098	OQENTLKOWSXTLO-UHFFFAOYSA-N	417.421	4.839	50	20	HJGD	
CCN(CC)Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)cc1	787507536	PAJIUZFVYJHPAL-IXOWOOARSA-N	422.573	4.700	50	20	HJGD	
COc1cc(NNC(=O)c2cc(C(F)(F)F)ccc2Br)ccc1Cl	790177663	JPZOYLPUVRPCJN-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@H]2CN2CCOCC2)cc1	792868671	VOXOFIFPOKLIEF-QFIPXVFZSA-N	404.671	4.505	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1occ2c1CCC2	797270716	UEIWALNQNOWWSY-UHFFFAOYSA-N	417.377	4.544	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1C	798008691	PWJFAZRDBTVIEQ-NKPGIGFHSA-N	411.933	4.545	50	20	HJGD	
O=C(NN=C1CCC[C@H]2C[C@@H]12)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	800804883	LCLAPPMTBPDWLG-PZJWPPBQSA-N	409.489	4.906	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	801647180	FCIIHZUUYMATLC-NTEUORMPSA-N	412.280	4.737	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1nc2ccccc2cc1Cl	810442431	SVXYTABCYPNIPB-UHFFFAOYSA-N	412.621	4.686	50	20	HJGD	
CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)CCCC[C@H]2CCSS2)CC1	811928355	HKCIBHVCHIDSEP-HUUJSLGLSA-N	408.677	4.836	50	20	HJGD	
COCc1ncc(COC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)s1	814000824	DHMUUZUIYMCADN-VCHYOVAHSA-N	413.543	4.863	50	20	HJGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2ccccc2Br)cc1OC	864926220	FYTBMOKBCGMIMO-GHXNOFRVSA-N	421.678	4.665	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(Cl)c3cccnc23)c1C	915364981	CKQSAFKMFNSBKT-UNOMPAQXSA-N	423.900	4.603	50	20	HJGD	
O=C(CNc1ccccc1)NN=Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	915919191	ZMRCYJMGPMRBFS-UHFFFAOYSA-N	424.844	4.603	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(O)c3c(C)c(C)sc3n2)cc1	916615295	RDYXQCKKXUEHRZ-YDRQLGOLSA-N	423.494	4.624	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCCOc1cccc(Br)c1	918382555	IPQCLICGXPDOML-OAHLLOKOSA-N	404.395	4.658	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1	918686346	WGAMIKBLZQHPBO-NBVRZTHBSA-N	415.449	4.785	50	20	HJGD	
C[C@H](CNC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C1CC1	920054400	PMKKEJFSAVWKIX-CQSZACIVSA-N	417.962	4.622	50	20	HJGD	
CCC[C@@H](C(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1	929085526	BMHDPXHTWXXTJD-HSZRJFAPSA-N	422.550	4.855	50	20	HJGD	
COc1ccccc1C1(C(=O)NNc2ccc(Br)cc2Cl)CCC1	1324437818	CVVLNTFYFNFOAV-UHFFFAOYSA-N	409.711	4.676	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCSC3)CCC2)cc1	1786013440	LZLIBQNQIGGHQA-HNNXBMFYSA-N	408.995	4.529	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cccc2ccoc12	1790953286	ZUHDVGXSMMYCTJ-GOSISDBHSA-N	400.837	4.715	50	20	HJGD	
Cc1ccc(C)c(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)c1	1792091270	GTCOEEMPHVLMLZ-UHFFFAOYSA-N	424.617	4.903	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)c(OC)cc2OC)c1C	14716424	JXEDXTFOJZPOAR-CXUHLZMHSA-N	401.894	4.731	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1nnc2n1CCCCC2	16411940	YAKHTTSGTQYZPS-GHRIWEEISA-N	417.900	4.974	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	28911566	KEUKMJCSPAVIBM-REIAIGDLSA-N	418.928	4.986	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cccc([N+](=O)[O-])c3)n2)c1	211184326	UVBXRPKQPLDQPP-SXGWCWSVSA-N	404.451	4.881	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1	254617146	KGMUDHWQSQVVQM-UHFFFAOYSA-N	410.477	4.620	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1	729616713	WYJLIERBWRQZFP-LBPRGKRZSA-N	415.450	4.553	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=O)C(C)(C)c2ccccc2)cs1	731150738	LYUKEQPRPRRXIY-UHFFFAOYSA-N	420.538	4.564	50	20	HJGD	
O=C(CCc1cccc(F)c1F)NNc1ccc(Br)cc1C(F)(F)F	731479316	ZESPYGRQPAMBJR-UHFFFAOYSA-N	423.179	4.822	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2cccnc2)c(C)n1-c1ccc(F)cc1	743723165	NACQSOYOCCHMGH-VYVDHXHBSA-N	402.473	4.755	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1	743816211	NTFGUBYEHBBXGP-UHFFFAOYSA-N	414.252	4.591	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2c(-c3ccccc3)nc3ccccn23)c2ccccc2n1	744683297	DLFPTOCHIDTBGI-UHFFFAOYSA-N	405.461	4.622	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C(Cc2ccccn2)c2ccc(Cl)cc2)o1	745194199	AISCAOIZCHILAU-UHFFFAOYSA-N	424.932	4.547	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1OCCC	746893697	OHHMAYMLALPZHL-UHFFFAOYSA-N	421.419	4.912	50	20	HJGD	
CC1CCN(c2ccc(C(=O)NNc3ccc(C(F)(F)F)cc3)cc2[N+](=O)[O-])CC1	747604827	HGRBUYZZIBLDKZ-UHFFFAOYSA-N	422.407	4.607	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2ccccc2)o1	748004899	VPLPLZNSCBWSSP-UHFFFAOYSA-N	400.394	4.674	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1ccc(Cl)cc1Br	748020630	ZSRNYRQJZBBYAC-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(OC)c(OC)c(OC)c1	748673096	WCTSQRRBZNRGEH-UHFFFAOYSA-N	400.500	4.663	50	20	HJGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1ccc(OCC(F)(F)F)cc1	748702167	OIEIMCATCBKJFA-OAHLLOKOSA-N	406.326	4.807	50	20	HJGD	
O=C(CCCOc1ccccc1Cl)NNc1ccc(OCC(F)(F)F)cc1	748704913	PSVAFVLMZKCWDW-UHFFFAOYSA-N	402.800	4.583	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNC(=O)CCc1ccccc1	749803445	HWSOJOLVQNEBOV-UHFFFAOYSA-N	423.516	4.533	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(-c3cscn3)cc2)c1C	750750947	ADOLNPAZTLTWBU-OVEPSTSESA-N	421.522	4.948	50	20	HJGD	
N#C/C(=C/c1cc(Br)cc(C(F)(F)F)c1)c1nnc2n1CCCCC2	759031597	AFZBKYKNINRPGF-SDQBBNPISA-N	411.225	4.850	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)c(Br)c1O	761013820	UJQGWTBVZBVUJP-FLIBITNWSA-N	424.197	4.555	50	20	HJGD	
CCO[C@@H](CCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(C)C	762665422	MMZBGJOXXZTYIA-AWEZNQCLSA-N	418.428	4.850	50	20	HJGD	
COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H](Br)C(C)(C)C)CC3)c2c1	767031476	HIKROTKBBRKCST-SFHVURJKSA-N	405.336	4.602	50	20	HJGD	
Cc1cc(NNC(=O)c2cn(CCCC#N)c3ccccc23)ccc1Br	768091358	VBFHUXIKNKVAPS-UHFFFAOYSA-N	411.303	4.773	50	20	HJGD	
Cn1nc2c(c1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)CCCC2	769657288	GXEPRSBOSUNVQI-MRXNPFEDSA-N	403.857	4.771	50	20	HJGD	
Cc1coc2ccc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)cc12	775447325	OIEGTJAHQRWTQX-LYFUXTGPSA-N	403.482	4.884	50	20	HJGD	
CN(NC(=O)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1)c1ccccc1	783434855	XYODHEYMRBPJAA-UHFFFAOYSA-N	411.914	4.597	50	20	HJGD	
Cc1cccc(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1F	783461126	MQSSKKVMILKYRU-UHFFFAOYSA-N	419.368	4.910	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3nc2Cl)c(C2CCCCC2)n1	783683150	GXSOFCGWMDIQJL-RVDMUPIBSA-N	420.904	4.610	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1OC	783688356	WCQKRUPQEMJWSV-YHYXMXQVSA-N	412.692	4.971	50	20	HJGD	
CSc1ccc(NC(=O)C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1Cl	784877864	GENTWGFSUWBGKC-UHFFFAOYSA-N	422.696	4.590	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)NNC(=O)Nc1ccccc1	801987842	BDWGGRIRVGGNKO-UHFFFAOYSA-N	420.469	4.653	50	20	HJGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211083	LPYBCGFRJSOBOQ-CABCVRRESA-N	418.444	4.779	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	808078654	SMJHLZQTRRDNAO-GOSISDBHSA-N	422.529	4.860	50	20	HJGD	
Cc1c(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)nnn1Cc1ccncc1	808715890	YMDHQXNUFZAHJQ-UHFFFAOYSA-N	419.379	4.940	50	20	HJGD	
O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1cc(-c2ccccc2)on1	912809087	MWWUOJOZAWRBHA-UHFFFAOYSA-N	418.434	4.742	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1C	913434382	NJURRKOJYGPYOF-CYBMUJFWSA-N	406.555	4.541	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1cccc(Cl)c1	916278647	ZLIUQDPMLJRYFD-UHFFFAOYSA-N	407.688	4.905	50	20	HJGD	
CCc1ccc(C(=O)NN=Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)cc1	916329458	JYFOAICYIPHFHK-UHFFFAOYSA-N	415.324	4.873	50	20	HJGD	
COc1ccc(Cl)cc1C=NNC(=O)c1ccc(OCCC(C)C)c(OC)c1	917540711	YXAHCVUTBBJYMK-UHFFFAOYSA-N	404.894	4.546	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc1	918585710	VXMXJZVTHUPFIH-RNLRLKOUSA-N	417.553	4.683	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2OCc2ccccc2)cc(C#N)n1C	918686098	SVAOPVFNQLGIMT-QLTNSANVSA-N	424.504	4.569	50	20	HJGD	
O=C(NCc1nc2cc(Cl)ccc2s1)NNc1ccccc1C(F)(F)F	920812342	WTZMDLLNGTURMT-UHFFFAOYSA-N	400.813	4.795	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccc(F)cc1F	1116126018	JRLGOEVDXRHNPI-MRVPVSSYSA-N	423.179	4.993	50	20	HJGD	
Cc1cc(C(=O)NNc2cncc(Br)c2)c(C)n1[C@@H](C)c1ccccc1	1320252238	KNIQHHYEHONQJU-AWEZNQCLSA-N	413.319	4.629	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccn(C3CCCCC3)n2)c(C)n1C[C@H]1CCCO1	1339139239	JCRUJQAUSWFNRJ-FBHQFGEZSA-N	421.545	4.531	50	20	HJGD	
C[Si](C)(C)OCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CCC1	1787780745	PBOGAWCXDWHANC-XNTDXEJSSA-N	422.601	4.685	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1814698957	XATXYOKEAPSEBW-DXRVJIQQSA-N	420.985	4.803	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1	1820860370	LIPUFTILSAPYET-HKUYNNGSSA-N	414.937	4.610	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CCCCC2)CC1	1830310926	YVVCTAQYWYUQAL-LBNTZDJNSA-N	409.014	4.760	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OC(C)C	7158651	XQRXPEIQPNEWKS-MHWRWJLKSA-N	414.889	4.999	50	20	HJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F)O[C@H](C)C2	23100643	GKKMAUPMRRMZTP-AZZDOICSSA-N	402.372	4.583	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OC	23723611	OKTQSMOLXGREBT-MDWZMJQESA-N	419.250	4.541	50	20	HJGD	
CCCn1c(C)c(C(=O)NNC(=S)Nc2cc(C)ccc2C)c2cc(OC)ccc21	28350213	FDRISTUWWBTWIS-UHFFFAOYSA-N	424.570	4.617	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1cccs1	207829761	SIIBUUJDZLECMV-ATVHPVEESA-N	418.474	4.830	50	20	HJGD	
COc1ccc(CCC(C)=NNC(=O)c2ccc(Br)cc2Cl)cc1	728783029	VYFQPMMJMMKANL-UHFFFAOYSA-N	409.711	4.850	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1	728960084	LDMKPPWQNPBCAT-ZDUSSCGKSA-N	421.950	4.554	50	20	HJGD	
C[C@H]1CCCCN1CCOc1ccccc1C(=O)NNc1ccccc1C(F)(F)F	729517507	OZRYJKVWKFIDJH-INIZCTEOSA-N	421.463	4.716	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730590465	NFKIOWCCXOIWHJ-MOPGFXCFSA-N	413.304	4.640	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3cccc(C(F)(F)F)c3)c3c2CCCC3)cc1	731051766	SFPQBEVPIWEJBJ-UHFFFAOYSA-N	414.431	4.835	50	20	HJGD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NNc1ccc(OC(F)F)cc1	732476042	WYHFUPJDMPBTHB-LLVKDONJSA-N	403.351	4.564	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1cccc(Cl)c1Cl	735517598	DDCLBUBPWPXVEG-ZDUSSCGKSA-N	416.308	4.781	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccc(Oc2ccc(Br)cc2)nc1	735697706	AIXMVTSMQPKDLR-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1csc(-c2ccccc2)n1	741980258	UDYKAIXOXVPWRS-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1cccc(Cl)c1Cl	743619891	UAXLLLCYUYCUBA-LBPRGKRZSA-N	402.281	4.852	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cc(C2CC2)nc2ccc(F)cc12	743821042	IOCOKNGBDFPSJQ-UHFFFAOYSA-N	414.893	4.536	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](c2ccccn2)C(F)(F)F)c(C)n1CC(C)C	747354975	WUDNYPUBYPRFLZ-DMVFFGLYSA-N	405.420	4.910	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNc1ccc(C#N)cc1	748117602	LIUYUBXXCADCIQ-UHFFFAOYSA-N	402.401	4.766	50	20	HJGD	
Cc1ccnc(NNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)c1	755854648	XRAALVPOQOMIAY-UHFFFAOYSA-N	417.900	4.712	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C)cccc2Cl)c1C	757681511	ZVDWUARZUVWYNS-WOJGMQOQSA-N	413.905	4.566	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)Nc1cc(C(F)F)ccc1Cl	757735091	PJTWTPKSAINUTE-UHFFFAOYSA-N	417.840	4.752	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2c(s1)-c1ccccc1OC2	761581551	VANQSLIQFVDFBY-UHFFFAOYSA-N	406.385	4.963	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc(-c2ccc(F)cc2)on1	762536333	MJCRDTVGQHONRZ-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
CC(C)OCCN1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762979377	IMCZMVBMZIKBBL-UHFFFAOYSA-N	417.444	4.919	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc3ccccc3n2Cc2ccccc2F)c1	768703875	VYYXSWUYBZAXQE-UHFFFAOYSA-N	419.847	4.506	50	20	HJGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNc1ccc(Br)cc1Cl	770081845	LWYJPMORTBDZFO-UHFFFAOYSA-N	412.671	4.693	50	20	HJGD	
COCc1ccccc1CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772911029	UHZOQSIIIJTHES-UHFFFAOYSA-N	424.391	4.745	50	20	HJGD	
Cc1nn(C)c(C)c1CCOC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	773003639	GPEALGHMSYLWFW-STZFKDTASA-N	408.546	4.653	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1	781083682	BIOFYJWNTHADRD-MRXNPFEDSA-N	410.356	4.843	50	20	HJGD	
CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)o1	782117068	GSNIPKFPVJNRSK-UHFFFAOYSA-N	405.366	4.734	50	20	HJGD	
COC[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccco1	782979082	GXMDGFQFCSKULF-GFCCVEGCSA-N	407.382	4.603	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H]2c2cccnc2)c(C)n1-c1ccc(F)cc1	783670980	UYDZCLZUKJMLKO-ZBXXMNEPSA-N	414.484	4.899	50	20	HJGD	
O=C1Cc2ccc(CC(=O)Nc3ccccc3S[C@H](Cl)C(F)(F)F)cc2N1	783866342	PGYINZDXUJQKAE-KRWDZBQOSA-N	414.836	4.582	50	20	HJGD	
O=P(CCN(CCC(F)(F)F)CC(F)(F)F)(c1ccccc1)c1ccccc1	790419940	FAMAJJQETIFWCE-UHFFFAOYSA-N	423.337	4.817	50	20	HJGD	
Cn1nc(C(F)F)c2cc(C(=O)NN(Cc3ccccc3)c3ccccc3)sc21	791440798	WADJGFNWPRMDMJ-UHFFFAOYSA-N	412.465	4.924	50	20	HJGD	
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NNc1cc(Cl)cc(Cl)c1	792278965	FPUBVJQPERXLBZ-UHFFFAOYSA-N	407.301	4.686	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccc(OCC2CCOCC2)cc1	792315094	CBOIDEGOOIPQRG-UHFFFAOYSA-N	410.301	4.947	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC(O[C@H]3CCOC3)CC2)cc1	792874579	WVIDLVSQKPLEQZ-QFIPXVFZSA-N	405.655	4.978	50	20	HJGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1	799741306	NNBBOFKUAVQHOX-VAWYXSNFSA-N	405.223	4.763	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1cc(Cl)ccc1N1CCCCC1	806143877	MYOYBTMGTJYLHY-UHFFFAOYSA-N	400.914	4.536	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCC(F)F	809147074	JPRVBLCQNRWVIR-LZYBPNLTSA-N	416.424	4.510	50	20	HJGD	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1	810201257	XFQYRVNGRLBGJB-DHDCSXOGSA-N	422.872	4.601	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1ccc(-c2ccccn2)cc1	810333793	KURSXGUQYQLUJQ-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCCC(F)(F)C2)c(C)n1C[C@@H]1CCCO1	814131735	KPADZBZURIFTTG-SCNANUJSSA-N	419.516	4.523	50	20	HJGD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016701	IEILDANQKRBMGD-UTCJRWHESA-N	419.281	4.789	50	20	HJGD	
CC[C@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	914466744	NTPSBGICJBUWPF-OGTCDWKQSA-N	423.520	4.681	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc(C(C)C)cc2)c(C)n1C[C@@H]1CCCO1	914483460	YMMCCRLVHTVITJ-HYIDZWCSSA-N	405.542	4.631	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2cccc(F)c2)C2CC2)c1C	914489087	YIXNAYTVIIJOKG-KKJJZKEWSA-N	409.505	4.550	50	20	HJGD	
O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)NNc1ccc(F)cc1	915926346	IJHGBJLYWNKPOX-UHFFFAOYSA-N	401.445	4.505	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1C	916078967	HUTWPMXNMZTAAH-NLZIUFDSSA-N	423.532	4.845	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cc(C)c(Cl)cc1OC)O[C@H](C)C2	916548923	CXBPTRPTJLLFQV-YSTIZTGUSA-N	412.873	4.535	50	20	HJGD	
N#C/C(=C\c1ccccc1-c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1	917516575	BBDJINQTVMIEDH-RELWKKBWSA-N	409.489	4.736	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	918002390	GMEFNTSYDFHIDC-HXUWFJFHSA-N	411.864	4.521	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc3c2OCO3)c(C)n1C1CCCCC1	918666981	UXGXCFYGTUHPRT-UDWIEESQSA-N	405.498	4.562	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1	918692320	HUGFJXGLVFGEEM-LUAWRHEFSA-N	413.852	4.780	50	20	HJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	1115967948	JDZDVCQXDNPIQN-UHFFFAOYSA-N	418.280	4.847	50	20	HJGD	
Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)[C@@](C)(Cl)CCl)cc2)CCC1	1790492424	BKSARGWOGIMRIK-IBGZPJMESA-N	409.313	4.572	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3cc(C)cc(C)c3)CC2)C1	1806163672	VVFBWUOLDWGYAC-FQEVSTJZSA-N	404.982	4.556	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1	1815319995	TURYMGOIXCAYOZ-XYJFISCASA-N	406.958	4.556	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1	210437245	WTGCCAMQEBETBG-MLPWYGTASA-N	419.488	4.719	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cs1)C1CC1	217202976	GSQMZJBGAONGRM-WCIBSUBMSA-N	421.309	4.511	50	20	HJGD	
Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	219904009	SLDYFSIKJCVXAK-CXFFPLRNSA-N	421.541	4.855	50	20	HJGD	
O=C(/C=C/c1cccc(OC2CCCC2)c1)NNC(=O)c1ccc(Cl)cc1Cl	727672923	RIDZJPUZHCATGF-DHZHZOJOSA-N	419.308	4.789	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2nc(-c3ccccc3)no2)cc1C	728081658	KTGCVJNQOBXZSP-UHFFFAOYSA-N	417.494	4.657	50	20	HJGD	
O=C(NNc1cnccn1)c1oc2ccccc2c1CSc1ccc(Cl)cc1	734245417	AEUBLGVDNJXIJV-UHFFFAOYSA-N	410.886	4.925	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c2cccc(Cl)c2)c1C	737597570	VAGSVJNOJZIVHP-VXIUPONVSA-N	413.949	4.924	50	20	HJGD	
CC[C@H](NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(F)cc1	738417515	PIKVUBHYKLIGBQ-QHCPKHFHSA-N	403.457	4.515	50	20	HJGD	
CC1(C)[C@H](NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)[C@@H]2CCO[C@H]21	741391405	HDDUSQUCJPNVMY-VKKKGTNTSA-N	408.873	4.841	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1	743819521	UCJUWXVVLDIVPV-UHFFFAOYSA-N	424.291	4.998	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC2(C)COC2)c(C)n1-c1cccc(C(F)(F)F)c1	744549576	ZHGSHBJLZTUEDX-CAOOACKPSA-N	418.415	4.600	50	20	HJGD	
COc1cc(C=NNC(=O)c2cccc3cccnc23)c(-c2ccccc2)cc1OC	747356149	OMZLCVIZJRILBZ-UHFFFAOYSA-N	411.461	4.683	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNc3cccc(Br)c3)c2)cc1	748029899	CFARMWWYOOXMLF-UHFFFAOYSA-N	408.255	4.870	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc2cc(Br)ccc2c1	748638159	RLYLCNBUTVTDLN-UHFFFAOYSA-N	407.214	4.961	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	748673548	KYJJNRGWANSTKW-INIZCTEOSA-N	411.502	4.515	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1NC(=O)c1ccccc1	748722367	SGEDSEJPGNELGQ-UHFFFAOYSA-N	424.844	4.566	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2ccccc2OC(F)(F)F)c1-c1ccccc1	754306307	LQHTYYFMGJDUCP-UHFFFAOYSA-N	418.419	4.961	50	20	HJGD	
O=C(CCCc1cccs1)Nc1cccc(C(=O)NNc2cccnc2Cl)c1	754487963	JEUOKTKWROWYGY-UHFFFAOYSA-N	414.918	4.515	50	20	HJGD	
Cc1ccc(-c2cccc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)c2)cc1	757528032	SHIBRCPYZLHCQY-KQWNVCNZSA-N	409.489	4.910	50	20	HJGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	758415973	BECFGOMWHPFDLW-MXDDHBLUSA-N	415.474	4.686	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccccc1C(=O)c1ccc(F)cc1	761590109	DDMYLPXPUPCNOZ-UHFFFAOYSA-N	418.346	4.712	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(C)=O)ccc2Cl)c1C	762343698	SSWFDHJCZIXEEO-FRSZACSASA-N	413.905	4.714	50	20	HJGD	
CCCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762519324	YSDMGSMOLCBYQA-GFCCVEGCSA-N	404.426	4.984	50	20	HJGD	
COc1cccc(NNC(=O)c2oc3ccccc3c2CSc2cccs2)n1	780771925	JKOPUSNOXCVGME-UHFFFAOYSA-N	411.508	4.947	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H](CCO)c1ccccc1Br	782063137	WNUJCCCZSCVQBR-CJNGLKHVSA-N	418.422	4.703	50	20	HJGD	
COCCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1	787144622	KBVQNVKNVIPANZ-HNDQUVLASA-N	419.308	4.803	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cc2sc3ccccc3c2s1	788557040	ZRAUKLAKMXYRLK-UHFFFAOYSA-N	409.521	4.786	50	20	HJGD	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)[C@@H]3CCCOC3)cc2[N+](=O)[O-])cc1	794883171	JMMRUKQTGLZOIT-LVSMMTLPSA-N	408.479	4.957	50	20	HJGD	
CCCC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1cccnc1	814702599	VOEUKFNRJDBORR-UHFFFAOYSA-N	419.554	4.715	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCCc2nc(-c3ccc(C)c(F)c3)no2)cc1	913234782	SUVGEETXYDHXDH-UNOMPAQXSA-N	405.429	4.576	50	20	HJGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)C(=O)Nc1ccc(SC(F)F)cc1	916138210	XZOYQBFHSFHVEA-LUAWRHEFSA-N	404.829	4.848	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1C	917778851	NARXUWNYPIVQSE-PXLXIMEGSA-N	418.541	4.687	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2cc(F)ccc2F)c1C	920165015	IQAKHHANIGGTMJ-SHGRGFRKSA-N	402.441	4.802	50	20	HJGD	
CCC(CC)[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1	1317914477	NDGGNFPVRMEDNX-SFHVURJKSA-N	418.335	4.571	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)cc1Cl	1785945102	AXAKYCZLMRHBNS-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)[C@@H](Br)CC)cc2)CCC1	1791359501	DGNONGRUWCWUMZ-YOEHRIQHSA-N	409.368	4.730	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc(OC)c3F)cc2)CCC1	1792203733	RGSWKQYLEFDGDC-QGZVFWFLSA-N	418.896	4.599	50	20	HJGD	
Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)c(C)c1	1820476766	XMXITPCENIIJRY-GOSISDBHSA-N	416.953	4.597	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826265468	WGLRVSHLZHZWEB-LEWJYISDSA-N	411.030	4.984	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cc3ccccc3cc2OC)cc1	8030129	FQIKSTCFWGREJT-UHFFFAOYSA-N	407.539	4.822	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=O)CCCc2ccccc2)cs1	727684616	KJEZEGDNAGLMBZ-UHFFFAOYSA-N	420.538	4.609	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc(-c2ccccc2F)o1	730572703	PRAANFIDXBKHOC-UHFFFAOYSA-N	405.454	4.902	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C)c1ccccc1	732133293	VWDRAAXEPGZKKE-XMSQKQJNSA-N	403.526	4.669	50	20	HJGD	
Cc1c(C(=O)NNc2nccc3sccc23)oc2ccc(Br)cc12	734249489	CICQGKCQURONEX-UHFFFAOYSA-N	402.273	4.870	50	20	HJGD	
O=C(CCCCc1ccc(Br)cc1)NNc1cc(F)c(F)cc1F	734553576	RRPQXGQFXIXITI-UHFFFAOYSA-N	401.226	4.723	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@H]1CCC[C@H](C(F)(F)F)C1	741976979	AECXPLFHJOPBQR-YUMQZZPRSA-N	401.173	4.539	50	20	HJGD	
COC(=O)COc1c(C)cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1C	746342240	OXOXPSYEWHFKQG-OQLLNIDSSA-N	418.276	4.952	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1csc(-c2ccccc2F)n1	748694122	IZVGDIQNEKNCMC-UHFFFAOYSA-N	411.380	4.647	50	20	HJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	750044479	XBEHBSJRZZVTNY-LELXDKESSA-N	419.416	4.528	50	20	HJGD	
O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NNc1cc(Cl)ccc1Cl	752810091	FQECIPRFNMLENU-AWEZNQCLSA-N	416.717	4.593	50	20	HJGD	
Cc1nn(C)cc1/C=C(/C#N)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1	755406959	GPBCGQSHKUQERK-XGICHPGQSA-N	418.309	4.705	50	20	HJGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	758416153	DEMKIFSVHACMHM-GULXKOIASA-N	408.841	4.551	50	20	HJGD	
O=C(NCc1cc(F)ccc1F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762654983	JUPUBNSDFLGTPK-UHFFFAOYSA-N	416.318	4.877	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1	766752134	PKIXMFNKLUZNTQ-LBPRGKRZSA-N	422.106	4.896	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3c(F)cccc3Cl)cc12	770203852	VAMKRZOGHVMECE-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3ccnc(Br)c3)cs2)cc1	771546864	IQGOMOQLEFZPLF-UHFFFAOYSA-N	417.332	4.848	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)oc1ccccc12	773739656	IHEQCLPUVWPJER-UHFFFAOYSA-N	413.355	4.687	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3ncc(Cl)cc3Cl)c3c2CCCC3)cc1	775269357	JZGAENJDGGATJG-UHFFFAOYSA-N	416.312	4.518	50	20	HJGD	
O=S(=O)(NCc1cn2ccsc2n1)c1ccc(S(F)(F)(F)(F)F)cc1	782989211	ZTRSVENSLBITFP-UHFFFAOYSA-N	419.422	4.532	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)Nc1ccccc1Cl	783696306	MEMFXNKJGDKKQA-YRNVUSSQSA-N	418.671	4.773	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cnc2c(C)cc(Br)cn12	783700009	JBJOLDGDFXIHLC-RIYZIHGNSA-N	419.282	4.985	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)cc1	784803769	TZQJXDWOJACSEW-UHFFFAOYSA-N	407.436	4.561	50	20	HJGD	
O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)NNc1ccccc1F	787133436	GAPDQYQVWIFEJM-UHFFFAOYSA-N	409.248	4.649	50	20	HJGD	
COCCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1	787144629	KBVQNVKNVIPANZ-VQCBNXJZSA-N	419.308	4.803	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc1OC(C)C	787556271	FCAXHRPCCYOGDQ-UHFFFAOYSA-N	403.482	4.590	50	20	HJGD	
CC(C)(C)[C@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO1	790454941	MCTXIOPVXQMIHQ-CYBMUJFWSA-N	409.442	4.780	50	20	HJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	794873009	OFFFCTZLUADWMH-WJDWOHSUSA-N	417.843	4.660	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c(Cl)c1	804208325	HSELUVSAQRCCSN-UHFFFAOYSA-N	422.794	4.581	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCCN1C(=O)C(F)(F)F	807250377	BCGSKINPHIEVDY-SNVBAGLBSA-N	412.302	4.836	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2cc1Cl	810021897	QOKOWNACOXFDOM-UHFFFAOYSA-N	410.739	4.572	50	20	HJGD	
CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(OCCCCl)cc2)CC1	811463137	LMKQILBCKDKNHG-HSZRJFAPSA-N	406.998	4.697	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C)c1ccc(C)cc1	813544153	MOKJAOZKXZXECD-SFHVURJKSA-N	408.527	4.522	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)[C@H]1OCCc2sccc21	813871110	IKZZAVPRZGSPTA-ANRSDYALSA-N	404.294	4.523	50	20	HJGD	
Cc1ccc(NC(=O)NN=C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c(Cl)c1	814856512	LXTYMXIOYRNVEP-NSHDSACASA-N	422.835	4.601	50	20	HJGD	
CC(C)(C(=O)NNc1c(F)cccc1F)c1csc(-c2c(F)cccc2F)n1	815851991	CAVWJDOJDLOXQA-UHFFFAOYSA-N	409.408	4.787	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccccc2Cl)c(C)n1C[C@H]1CCCO1	857301431	QTZXRLAEAUOHOR-GUBQRQEFSA-N	411.933	4.503	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)[C@H](C)c1ccc(C#N)cc1	914509694	XVTUDEBGRZPQDT-XELNPYELSA-N	418.541	4.701	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1C	915283295	JCGJFXGLYIUKRH-OQLLNIDSSA-N	418.400	4.570	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1C	915628579	FGIYOUVFHUZKMI-SKCQWOFPSA-N	401.457	4.901	50	20	HJGD	
CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccncc1	915908857	SYISHAAENOQPKL-UHFFFAOYSA-N	420.472	4.549	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)N1CCCC1	917038815	UAZQLZZDOMYNDD-ZHZULCJRSA-N	416.912	4.781	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OC[C@H]2CCOC2)c(C)n1-c1cccc2ccccc12	918809326	IIPNZOUHJHAXAM-MEGCXXLRSA-N	400.478	4.734	50	20	HJGD	
Cc1nc(F)ccc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1	1786012526	KASOKOSDEJBFEW-UHFFFAOYSA-N	417.912	4.542	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cn3)CCC2)cc1	1786445078	QWDQGVNPLIKMBK-KRWDZBQOSA-N	420.340	4.890	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](NC(C)C)C(C)C)cc2)CCC1	1788121181	KWYJMUDKEJXKKW-WOJBJXKFSA-N	422.013	4.551	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc(OC)c3)cc2)CCC1	1790272274	VAEOTXNWXSHPSU-HXUWFJFHSA-N	414.933	4.850	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2C)CC1	1829945308	IKBDTMUCLIVWKY-FGZHOGPDSA-N	419.009	4.944	50	20	HJGD	
Cc1ccccc1NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	21610845	BYLRNPVDXRBGOW-FYJGNVAPSA-N	407.514	4.548	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(-c3nnc[nH]3)cc2)c(C)n1C1CCCCC1	261477384	XXTDZQQLYXTWRO-MOSHPQCFSA-N	414.513	4.941	50	20	HJGD	
CC(=NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccc(SC(C)C)cc1	728427405	DKBQZBOGSYJYCI-UHFFFAOYSA-N	422.554	4.632	50	20	HJGD	
O=C(CCc1ccc(F)cc1)NNc1ccc(Br)cc1C(F)(F)F	731477977	UVNYOIVNFULJKQ-UHFFFAOYSA-N	405.189	4.683	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCCO[C@H]2CCCc3ccccc32)cc1	733779074	FLKKGDCHTXVYAB-QZPFXSPMSA-N	404.510	4.593	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)N[C@@H](CCCO)c1ccccc1	741094614	MBHLOPFUBUIYCH-HNNXBMFYSA-N	402.709	4.787	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)C1(c2ccc(Cl)cc2)CC1	741979584	GKFDKWJHKZBQAH-UHFFFAOYSA-N	401.638	4.556	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(C#N)o2)c(C)n1-c1ccc(OC(F)F)cc1	742350373	YZWFIDHZGBHSJU-XNTDXEJSSA-N	407.376	4.950	50	20	HJGD	
CC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1ccc2c(c1)COC2	743430843	MCFNYFGUYWKYRX-UHFFFAOYSA-N	411.914	4.835	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(Oc2cccc(Cl)c2Cl)cc1	743453332	TUGCYJOWWNYOTM-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
Cc1ccccc1C1(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CC1	743581319	SYBIPWQNNKCLDC-UHFFFAOYSA-N	414.509	4.730	50	20	HJGD	
CC(C)C[C@H](NC(=O)NNC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1	745841383	YOJGXUZUCBSHHP-FQEVSTJZSA-N	410.905	4.620	50	20	HJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)Nc2c(CC)cccc2CC)cc1OC	750893666	RNEFZBZSSBDODP-UNOMPAQXSA-N	408.498	4.773	50	20	HJGD	
CCOC(=O)Nc1nc2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)cc2s1	751726191	KIYPGZYTFRLMST-UKTHLTGXSA-N	410.430	4.549	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cc(N(C)C)cc2C)c1C	752856476	KZLCOFXIYRQIKP-UMUMUWHJSA-N	408.546	4.541	50	20	HJGD	
CCCCc1nc(C=NNC(=O)COc2ccccc2-c2ccccc2)c(Cl)[nH]1	755508076	ZYMBIQIHHFSTMW-UHFFFAOYSA-N	410.905	4.602	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccc(F)cc2)c(C)n1C[C@H]1CCCO1	758608841	YAVACMWSFURENI-NHTFLYJPSA-N	409.505	4.550	50	20	HJGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)C(=O)Nc1nc2ccccc2nc1Cl	761390065	BFAZZNSTUIEYOW-VQHVLOKHSA-N	408.792	4.909	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2csc(Cl)c2Cl)cc1Br	761815058	FRUZHIYWVGYBPB-UHFFFAOYSA-N	408.104	4.590	50	20	HJGD	
Cc1sc(Cl)nc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	762873514	QLUSIGRUEMVJNQ-UHFFFAOYSA-N	415.527	4.931	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)c1	766553515	CWGSTEPWUJENMK-LPHOPBHVSA-N	405.608	4.777	50	20	HJGD	
CC(=O)N(Cc1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1)C(C)C	770031589	DZPAOWZGMKOJHW-UHFFFAOYSA-N	409.317	4.899	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ncoc1-c1ccc(F)cc1	771470276	FOSFWCULCKFCSC-UHFFFAOYSA-N	404.239	4.563	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1coc(-c2ccccc2Cl)n1	776485780	AOFGOMFKEWSOFD-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H]2C2CCOCC2)c(C)n1C1CCCCC1	777533515	LWZKBKVONWANJL-FOOJEKODSA-N	409.574	4.935	50	20	HJGD	
CC(C)c1oc([C@H]2CCCN2S(=O)(=O)CCCCCl)nc1-c1ccccc1	780798737	SQNIJKIUGMVHIT-QGZVFWFLSA-N	410.967	4.951	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	781075260	GHXLYHKVDZWEIY-OAHLLOKOSA-N	413.743	4.997	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2nc3ccccc3o2)c(C)n1C[C@H]1CCCO1	781805314	GCUUUVCGWNZRPL-MFSDMNIBSA-N	419.481	4.637	50	20	HJGD	
CCCOc1cc(C)ccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782820344	BMKRYKZSMABDBZ-UHFFFAOYSA-N	403.482	4.592	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(\C#N)C(=O)c3c[nH]c4cc(F)ccc34)cnc12	783706029	NQPAHJBAILSAGF-LFYBBSHMSA-N	423.245	4.816	50	20	HJGD	
CCCn1ccc2ccc(NC(=O)C(=O)NNc3c(Cl)cc(F)cc3Cl)cc21	784881745	XMFNCNBYTKLQLZ-UHFFFAOYSA-N	423.275	4.579	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1	786045225	ZLGPRCDDXGQXDT-NDENLUEZSA-N	417.490	4.644	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3cc(F)c(F)cc3F)ccc2n1Cc1ccsc1	788513595	SBDJAKOEPRPTSF-UHFFFAOYSA-N	416.428	4.629	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(O[C@H](C)C(=O)O)cc3)n2)cc1	794690221	HMELHTWVRKFMLN-SWEABUAFSA-N	406.463	4.735	50	20	HJGD	
CCOC(=O)c1scnc1/C=C(/C#N)C(=O)Nc1ccccc1Oc1ccccc1	794931914	ROOBNNIYGXAHQI-QINSGFPZSA-N	419.462	4.658	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1nc(C(F)(F)F)cs1	795163486	KVKUNRXOLGFBDJ-UHFFFAOYSA-N	402.785	4.536	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3Br)s2)cn1	800794922	URBCCTNZQNKOEA-IZZDOVSWSA-N	415.272	4.883	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(OC(F)F)cc1	804207750	WAVAESNMAKMAQD-UHFFFAOYSA-N	424.329	4.521	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3nccnc3C3CCC3)cc2)cs1	805472868	PDGZWXVCVHMVCC-UHFFFAOYSA-N	411.556	4.558	50	20	HJGD	
O=C1OCc2ccc(NS(=O)(=O)c3ccc(S(F)(F)(F)(F)F)cc3)cc21	808125706	LXWAFXKSTQFHFM-UHFFFAOYSA-N	415.361	4.815	50	20	HJGD	
COc1ccccc1OCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	878641458	RBSNFLDRCSGRPZ-MRXNPFEDSA-N	405.825	4.932	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cccc(OC)c1OC(F)F	915844055	ICSZRGMTIOQMIM-ATVHPVEESA-N	400.425	4.967	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)CCN3CCCCCC3)s2)cc1	916355289	HLVPKLKTESYICA-UHFFFAOYSA-N	419.982	4.565	50	20	HJGD	
CCNC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1	916435803	MQIUQNNEQWWQAG-RCCKNPSSSA-N	418.541	4.906	50	20	HJGD	
COc1ccc(Cl)cc1CNC(=O)NNc1nc(Cl)c(Cl)cc1Cl	916647210	RZXZLXCWYOVTEV-UHFFFAOYSA-N	410.088	4.530	50	20	HJGD	
O=C(CCNC(=O)c1ccsc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918558224	CADCLVPAEZFKQV-HNNXBMFYSA-N	422.881	4.726	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@H]1CC(=O)N(C2CCCC2)C1	918559317	OMAUDUOMHJSMQO-GTNSWQLSSA-N	420.884	4.636	50	20	HJGD	
O=C(COCCOc1ccccc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918563262	OHNSVVXDCWCQSY-QGZVFWFLSA-N	419.852	4.940	50	20	HJGD	
COCCCOc1ccccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	919775052	JVAKHEWTXPXJGJ-UHFFFAOYSA-N	405.498	4.845	50	20	HJGD	
O=C(NCc1cccc(C(F)(F)F)c1)NN=Cc1ccc(CSC(F)F)o1	921262066	ZIACABRCIPZEAY-UHFFFAOYSA-N	407.364	4.588	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1	1116092127	ZJCLRMQVDOIIOJ-UHFFFAOYSA-N	406.330	4.569	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C(=O)O)c1)c1nc(N)c2ccccc2n1	1318432483	RNZNSIWFHZXWRQ-PDGQHHTCSA-N	422.444	4.553	50	20	HJGD	
CCN(CC)C1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)CC1	1318620728	NTLQXWHATZIHMS-QJOMJCCJSA-N	418.585	4.642	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)Nc1ccc(COCc2ccccc2)cc1	1325357090	PMHZAOYHJIZLHP-UHFFFAOYSA-N	409.873	4.523	50	20	HJGD	
COc1ccc(C[C@H](C)N(C)CCP(=O)(c2ccccc2)c2ccccc2)cc1	1340785922	KVKPBGUAGFZHPZ-NRFANRHFSA-N	407.494	4.572	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3OC)CCC2)cc1	1786446789	JEOKCGCVLSEHFV-LJQANCHMSA-N	414.933	4.850	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cc2ccccc2o1	1788585338	ZNKLREXPRPCDTK-GOSISDBHSA-N	400.837	4.715	50	20	HJGD	
Cc1scc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)c1C	1816612061	JNBLALRWMHBGNX-INIZCTEOSA-N	422.982	4.659	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](F)Cl)[nH]n2)CC1	1822099205	HOWOMAQXWBGTLQ-SZXPJGKVSA-N	412.937	4.543	50	20	HJGD	
CC(=O)N[C@H]1CCc2nc(NC(=O)CCCCCCCCCCCl)sc2C1	1822782097	OJMHVHVPVNFVDI-INIZCTEOSA-N	414.015	4.825	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(Cl)c2)n[nH]1	1823192075	NCGUUEDTZZERPO-NVXWUHKLSA-N	423.344	4.695	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1	1827075986	PGYVCZPHNUBIIO-JNTVOPSESA-N	423.022	4.789	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c2Cl)cc1	16410079	WXZXRGYSFLWXCG-VYVDHXHBSA-N	418.928	4.986	50	20	HJGD	
CC(C)C(=O)N1CCC(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	97134126	JBRLPQHRABDGTO-QGZVFWFLSA-N	422.900	4.739	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(Cc3ccccc3)CC2)c1C	105624760	PANWWBFJDUFULC-HBAFHOPNSA-N	419.569	4.701	50	20	HJGD	
CC(C)CNc1nnc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)s1	206880813	RDGHIFNSIMIHGY-VSORXJBLSA-N	417.585	4.609	50	20	HJGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	212641492	FZILOSRPDXFTDY-ZDLGFXPLSA-N	413.458	4.920	50	20	HJGD	
CCOC(=O)N1CCC[C@H](C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	302930922	FLCFYOAQAVKGJA-XHDPSFHLSA-N	424.872	4.713	50	20	HJGD	
CCC[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1	726851445	OZJGTNOFBCLUFA-KRWDZBQOSA-N	418.419	4.672	50	20	HJGD	
CSCCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	727670378	UTRHPWVIERGXCE-CVGPFBNFSA-N	423.582	4.735	50	20	HJGD	
CCOc1cc(C=NNC(=O)c2c(Cl)cccc2Cl)cc(Cl)c1OC	727781771	WPEWPJUZYXVKTQ-UHFFFAOYSA-N	401.677	4.818	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(F)cc1	732577111	LQPCQRDVMMUDGB-PDGQHHTCSA-N	419.383	4.982	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1c(C)nn(CCCl)c1C	733920577	ZLMBAXVUFHMRSB-UHFFFAOYSA-N	410.905	4.552	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cnc4ccc(Br)cn34)c[nH]c2c1	740765015	NMJFCNZKMKGOIG-QPEQYQDCSA-N	405.255	4.676	50	20	HJGD	
O=C(NNC(=O)c1cnc(-c2ccccc2)s1)Nc1ccc(-c2ccccc2)cc1	743826231	DRBUTDWWSZIEKR-UHFFFAOYSA-N	414.490	4.944	50	20	HJGD	
COc1cc(C(C)=NNC(=O)c2ccc3ccccc3n2)ccc1SC(F)F	746484357	GZEMRTYMRSMMIZ-UHFFFAOYSA-N	401.438	4.712	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	746700474	VZMTWWRHCAYEQG-HXUWFJFHSA-N	410.832	4.690	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1C	747198127	TYXGJQKGNVBQOU-VHMOTBOASA-N	410.543	4.676	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)c3c(C)noc3C)c2C)cc1	747877100	NUHDUSFDIVJCNW-MOSHPQCFSA-N	418.497	4.668	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(F)cc2C)cc1	748563239	ZTMNUWFEEVPZLE-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccc(NC(=O)C2CCCCC2)c1	748656399	RLOOQBDVAPNEAX-UHFFFAOYSA-N	403.429	4.564	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)c2ccccc2C)c1C	750774886	JPCLOHFHLMESBX-UUMRFZBWSA-N	407.558	4.622	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(CCC(F)(F)F)cc1	751540423	KMYFAXNMVTUHDU-UHFFFAOYSA-N	421.297	4.865	50	20	HJGD	
CC(C)c1ccc(C2(O)CCC(=NNC(=O)c3cnn(-c4ccccc4)c3)CC2)cc1	753922365	STPPQDKWRFYNEX-UHFFFAOYSA-N	416.525	4.543	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)[nH]n1)Nc1ccccc1SC1CCCC1	755720368	LYHMITLDOCZULS-UHFFFAOYSA-N	421.526	4.578	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)C/C(C)=C\c2ccccc2)c1C	756570843	DVGMUQLRKYTKLP-RQKMHQMLSA-N	405.542	4.781	50	20	HJGD	
CC(C)(CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccncc1	762673366	TZQZHIJTHJYCTC-UHFFFAOYSA-N	423.407	4.772	50	20	HJGD	
COc1ccc(SCCC(=O)NNc2c(Cl)cccc2Cl)cc1OC	763613328	VUWHEDPACULPIM-UHFFFAOYSA-N	401.315	4.636	50	20	HJGD	
O=C(/C=C\c1ccc(O)cc1)NNc1c(Cl)cc(Br)cc1Cl	764176853	HVIWWQFEMFZZHH-UTCJRWHESA-N	402.075	4.618	50	20	HJGD	
Cc1cc(Br)cc2cc(C(=O)NNc3nc(C(F)(F)F)cs3)oc12	768437594	APDFQHMDIGJXIR-UHFFFAOYSA-N	420.210	4.736	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)NNc2cccc(C(F)(F)F)c2)c1	772817315	FWLDMZKULNBZQG-UHFFFAOYSA-N	409.408	4.738	50	20	HJGD	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NNc1ccc(C(F)(F)F)cn1	775251254	ONFLMAPPSSDKIX-UHFFFAOYSA-N	416.403	4.605	50	20	HJGD	
O=S(=O)(Nc1ccn(CC(F)F)n1)c1cccc(S(F)(F)(F)(F)F)c1	777636973	ZRPGXIRDAZICQV-UHFFFAOYSA-N	413.340	4.606	50	20	HJGD	
CC[C@]1(CO)CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	778129988	ROOHTACVWKKREQ-AWEZNQCLSA-N	409.442	4.517	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(-c2ccc(Br)cc2)s1	778447173	WGHZLRAJMSFMNN-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1csc(-c2ccc(F)c(F)c2)n1	780637774	WVFTZVKDSWTZDK-UHFFFAOYSA-N	415.343	4.744	50	20	HJGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNc2c(Cl)cc(Br)cc2Cl)C1(C)C	780811195	SCIPXOHBBUKHGK-SCZZXKLOSA-N	422.150	4.840	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)ccc1Cl	790178219	XADKQSSHDOTLLA-UHFFFAOYSA-N	405.882	4.761	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)nc1	791633931	NFJWTCNMOYLTPH-UHFFFAOYSA-N	423.425	4.638	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)[C@@H](C#N)c2cnc3ccccc3n2)c(C)n1CCC(C)C	792101642	BPGHRMXLYAKZRB-HNLWVNFGSA-N	411.509	4.878	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	792636289	WOQDIARQCJIBHR-GZTJUZNOSA-N	404.419	4.606	50	20	HJGD	
C[C@@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1	795072004	CFLSRQMWGGIRSN-GLHHCPQXSA-N	417.387	4.940	50	20	HJGD	
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	800566459	IJQLCAHAWABMSR-SFQUDFHCSA-N	412.424	4.923	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(F)c(C(F)(F)F)cc1F	804499968	OXGXPDVDALPTJG-UHFFFAOYSA-N	402.216	4.898	50	20	HJGD	
Cc1cc(Br)c(C(=O)NNc2ncccc2C(F)(F)F)cc1Cl	806899649	BMPMCIAJKKSKHG-UHFFFAOYSA-N	408.605	4.582	50	20	HJGD	
C[C@@H](CC(=O)NNc1cccc(C(F)(F)F)n1)c1ccc(F)c(Br)c1	812515832	OWITTXPSWRFMOG-VIFPVBQESA-N	420.204	4.639	50	20	HJGD	
Cn1c(NNC(=O)c2ccccc2OCc2ccccc2Cl)nc2ccccc21	816578306	VCLVAYBGPIOLGC-UHFFFAOYSA-N	406.873	4.563	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1	817916758	BRXHCZVGMLHXMI-QINSGFPZSA-N	405.435	4.878	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2N(C)C)c1C	915868129	TYILFJYHNANFJP-CLXYIWAZSA-N	414.937	4.577	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)c3ccc(Cl)cc3)c2Cl)c1	916253956	VPAPTZHURYJLGR-UHFFFAOYSA-N	401.297	4.868	50	20	HJGD	
COc1cc(C(=O)NN=Cc2cc3cccc(C)c3nc2Cl)ccc1OC(C)C	916351549	JLKCYIDKOVMCFM-UHFFFAOYSA-N	411.889	4.756	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(F)c(F)c2)c(C)n1C[C@H]1CCCO1	918953363	SGFTUAZCOSARNI-XADMWOPUSA-N	414.452	4.774	50	20	HJGD	
CCCOc1ccc(OC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	928208945	PJUIGNNMGCVGII-CBIIRDDDSA-N	408.498	4.585	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3cccnc3)cs2)c(C)n1CC(C)C	929259768	MSBIXNIWDAGWBZ-DJKKODMXSA-N	405.527	4.825	50	20	HJGD	
CC(C)(C)N1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	1337599846	DOQDKYPSHBZQPW-AWEZNQCLSA-N	409.905	4.854	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(C)s2)[nH]n1	1820861254	VTWJYXZHNFVUJC-FKLRVFMWSA-N	420.966	4.503	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CO[Si](C)(C)C)CC1	1829103272	FRSWQSDCSSRNAW-FPOVZHCZSA-N	424.702	4.674	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1	1830304920	FZDPSRAACAYEAH-HUUCEWRRSA-N	417.402	4.652	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1	1830307917	LODKXAVONGZHAD-RJCGUJTNSA-N	420.981	4.628	50	20	HJGD	
Cc1ccc(-c2nnc(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)o2)cc1	5865225	BCXSGWNSACEAED-RGEXLXHISA-N	406.492	4.659	50	20	HJGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1	8200085	CWAQMYJQXWDYMM-WOJGMQOQSA-N	416.506	4.931	50	20	HJGD	
CCCCCCNC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1cccnc1	28625624	YAFSCWUFHFGASR-PXLXIMEGSA-N	413.525	4.597	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2OC(F)F)cc1	210603269	IKGJYFIXYIGKMS-NVNXTCNLSA-N	415.364	4.536	50	20	HJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c(F)c2)cc1	727263476	ASTGSMFVUGMPCP-HKWRFOASSA-N	407.489	4.551	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCc2nc(C3CCCCC3)cs2)cc1	732162919	WUPKSHWVLPXTFS-XMHGGMMESA-N	409.555	4.855	50	20	HJGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1ccc(Br)cc1C(F)(F)F	733154877	NLPSKUFOVOTLEP-CQSZACIVSA-N	409.246	4.649	50	20	HJGD	
Cc1ccc(C(=O)NNc2nccc3sccc23)cc1NC(=O)c1ccccc1F	734248658	RQOUVBPZGITYGL-UHFFFAOYSA-N	420.469	4.753	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=C(C)c2ccc(SC)c(OC)c2)cc1Cl	741770162	UYGQPBGADPWTRY-UHFFFAOYSA-N	423.922	4.633	50	20	HJGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743562213	RUYWCRIHPFXNSC-QFIPXVFZSA-N	400.482	4.685	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)c1	743765134	GEFJMIPLAJYDGN-JOCHJYFZSA-N	401.510	4.616	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3nc(C)c(C)s3)c2C)cc1	743784014	NPIUKLAXBVVCDM-RGVLZGJSSA-N	404.539	4.699	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c(C)n1CC(C)C	744692330	PHMYVUJVSAQCOS-QMFLXTPQSA-N	415.541	4.731	50	20	HJGD	
CCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	745844433	UDERJFIJZHMZKR-XQNSMLJCSA-N	423.520	4.728	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2ccc(F)c(F)c2F)s1	748215598	LXIKVMAITSWWJV-UHFFFAOYSA-N	406.389	4.566	50	20	HJGD	
O=C(CC1CCCC1)NN[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	749699833	ISVIWWGXZXYODD-FQEVSTJZSA-N	419.447	4.586	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1cc(NCc2ccccc2)nc2ccccc12	750239919	NRNITFVHXWTFRL-UHFFFAOYSA-N	403.873	4.652	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C[C@H]2OCCc3ccccc32)c1C	750813643	QRGCJTHKLWQIDZ-WLGHQHAYSA-N	405.542	4.584	50	20	HJGD	
Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1ccc(CCCl)cc1	751281500	FBBKJEQQMBWKQF-UHFFFAOYSA-N	419.959	4.518	50	20	HJGD	
COc1ccc2[nH]cc(C3CCN(C(=O)/C(C#N)=C\c4ccc(F)cc4)CC3)c2c1	751456413	QQWPHLWLPLYVFY-PDGQHHTCSA-N	403.457	4.629	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)c(Cl)c2)cc1OC	754828205	QHNSCQDXQSYDNZ-GHXNOFRVSA-N	421.678	4.665	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3n2C2CC2)c1C	755152265	RPRYXHRPQBESDL-JJBLJPBOSA-N	417.513	4.543	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(Oc2cccnc2)c(C)c1)c1ccccc1	756212507	FJKMJSRLSBWOGQ-HXUWFJFHSA-N	404.470	4.529	50	20	HJGD	
O=C(NNC(=O)c1cccnc1)Nc1ccccc1-c1ccc(-c2ccccc2)cc1	756466988	SRRRNJMTTYZTFR-UHFFFAOYSA-N	408.461	4.882	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)Nc1ccc(COC2CCCC2)cc1	756687379	VUMYWZJAQQFWFJ-UHFFFAOYSA-N	403.482	4.766	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1	761628172	WCHCEPLOMLJQFM-HNNXBMFYSA-N	405.406	4.544	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2cccnc2)c1	766485544	SWVGUHJCKYNZQH-CIAFOILYSA-N	413.477	4.832	50	20	HJGD	
CCCN(CC)Cc1ccc(C(=O)NNc2ccc(Br)c(F)c2)cc1	771674881	NKCMASORCWODLH-UHFFFAOYSA-N	408.315	4.577	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1cnc(Cl)c(Br)c1	775768477	SAESRMHHWMVGOT-UHFFFAOYSA-N	409.593	4.665	50	20	HJGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)c1ccc(OC(F)F)cc1	776258980	CPTVPBSSMDMMEH-GHXNOFRVSA-N	410.279	4.587	50	20	HJGD	
Cc1nc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(-c2ccccc2)s1	778524830	QNNJDGKWFDEMBI-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
CC(C)(C)OC(=O)NCc1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1	779496272	ZDWZWWOKBCPTCX-UHFFFAOYSA-N	408.861	4.652	50	20	HJGD	
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	782115146	FOAIFNUQVXEEAR-UHFFFAOYSA-N	401.378	5.000	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H]2c2cccnc2)c(C)n1-c1ccccc1F	783671048	CFHPSWHEIYECKA-YJADQXIJSA-N	414.484	4.899	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1	787457438	FFHYQVOEEZODKG-RVDMUPIBSA-N	413.458	4.920	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)ccc1Cl	788565871	NQANUAGYQRTYKJ-UHFFFAOYSA-N	405.882	4.827	50	20	HJGD	
COc1ccc(C(=O)CCCCCC(=O)NNc2ncc(Cl)cc2Cl)cc1	789848132	ALQGHBJMYQWGKF-UHFFFAOYSA-N	410.301	4.674	50	20	HJGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2c(Cl)cc(Br)cc2Cl)C1	793577339	OUHNPFAOEPNARR-GXSJLCMTSA-N	410.139	4.794	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(c2ccc(Br)cc2)CC1	800121984	RDWOOMWRUAPNSV-UHFFFAOYSA-N	424.770	4.521	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C	805385155	OPTCXMODPXPHKD-UHFFFAOYSA-N	421.240	4.930	50	20	HJGD	
COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)c2ccoc2)cc1	806557949	NIDIXNMJDLMHGO-BKUYFWCQSA-N	409.445	4.990	50	20	HJGD	
CC(C)c1ccc(Sc2ccc(NC(=O)C(=O)NNc3cccc(F)n3)cc2)cc1	807391897	ADJUPPOUBYEAPJ-UHFFFAOYSA-N	424.501	4.577	50	20	HJGD	
CC(C)(C(=O)NNc1ccnc(F)c1)c1csc(-c2c(F)cccc2Cl)n1	810984504	CYAVUYCBUQTMJF-UHFFFAOYSA-N	408.861	4.558	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)NNc2c(C)cccc2C(C)C)cc(OC)c1OC	813036048	BVMDCRNVFMSTDD-OAHLLOKOSA-N	401.507	4.532	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1c(Cl)nc(Cl)n1-c1ccccc1)c1ccccc1	814845644	QKWZNBJMOSTYIM-MRXNPFEDSA-N	401.297	4.823	50	20	HJGD	
CN(C)C(=O)OC1CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1	815193637	UGASRPHNYWEPOD-UHFFFAOYSA-N	406.643	4.871	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2ccccc2nc1O	817015939	YAKNRNSUFDVNIN-UHFFFAOYSA-N	415.293	4.735	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2cccc(F)c2)C2CCCC2)c1C	914518956	VKIPXQSKLJELDT-PXLXIMEGSA-N	423.532	4.769	50	20	HJGD	
CCCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	915161928	YFCMMPQTHOQCHP-CEMPLAKHSA-N	407.514	4.618	50	20	HJGD	
COc1ccccc1NCC(=O)NN=C(C)c1ccc2c(c1)Nc1ccccc1S2	915920141	IWNIUYOCZBALOP-UHFFFAOYSA-N	418.522	4.856	50	20	HJGD	
Cc1ccc(C(C)C)c(Oc2ccc(/C=C(\C#N)S(C)(=O)=O)cc2[N+](=O)[O-])c1	916133012	YKKKGUYOMHDVJU-MHWRWJLKSA-N	400.456	4.728	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)c(C)n1CC(C)C	1320243989	JNWAEEJXOYDKJR-PIZZFGTGSA-N	407.562	4.639	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(\C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2)cn1	1321074180	RSALNNOMHUXUAZ-MHWRWJLKSA-N	413.506	4.740	50	20	HJGD	
O=C(CCc1ccccc1)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1787680897	KQRNIDDYWXKJJR-UHFFFAOYSA-N	405.325	4.557	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3SC)CCC2)cc1	1790486689	IHILLMWBIKDVBR-QGZVFWFLSA-N	417.962	4.569	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1	1790488922	OJOJEYLQVBCKRB-YZLZLFLDSA-N	402.966	4.964	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccs2)[nH]n1	1815317361	RZXQNBJVUQKEPO-NVXWUHKLSA-N	422.982	4.504	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2C)CC1	1830309849	MFLHBYFJHGUWFB-SFTDATJTSA-N	404.982	4.554	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1	1831790676	NKZRYVXQJUYEEU-LJQANCHMSA-N	411.030	4.842	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OCc1ccccc1	3308754	XXRSOIVSMPVZMQ-XQNSMLJCSA-N	412.489	4.540	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	15020021	OBZHKMWVXBNROP-UHFFFAOYSA-N	424.671	4.685	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccccc2F)C2CC2)c(C)n1C[C@@H]1CCCO1	211929718	JMNIGFSZHBPUBP-RQLGBQGVSA-N	421.516	4.521	50	20	HJGD	
O=C(NN=Cc1c(-c2ccccc2)nc2sccn12)C12CC3CC(CC(C3)C1)C2	254763680	XWSONDWOHITRBI-UHFFFAOYSA-N	404.539	4.729	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2scnc2-c2ccccc2)c1C	727993394	SJGYBWUJJAKLMR-YODDIOPGSA-N	420.538	4.982	50	20	HJGD	
CCCOc1c(C=NNC(=O)c2cc(F)ccc2Br)cccc1OCC	728436315	PEVAHPYBOXQTIN-UHFFFAOYSA-N	423.282	4.540	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)NC1CCCC1	730214664	NKWYECRTTOVOGT-GOSISDBHSA-N	421.925	4.586	50	20	HJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cnc4ccccn34)n2)cc1C	740764418	VFTXTEMIJIKECL-LICLKQGHSA-N	413.506	4.929	50	20	HJGD	
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	741870691	ZEDFMVQNKHRQGX-UFBFGSQYSA-N	409.770	4.726	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1csc(Cc2ccccc2)n1	741978174	BCKNZCZSWJONKP-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
CCCC[C@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1ccc(OC)cc1	743629755	FTJCRRQNUWSFJV-QFIPXVFZSA-N	405.498	4.724	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2oc(C(C)C)nc2C#N)cc1C	746299137	PRHKVVONCCGCOG-UHFFFAOYSA-N	407.499	4.590	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2c(F)cccc2Cl)c1C	752380430	OYURLUBBLHOIKM-UYHBEJOSSA-N	417.912	4.889	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Cc1nc(-c2ccccc2)oc1C	753171736	YGOUXZITFJUACZ-UHFFFAOYSA-N	414.303	4.661	50	20	HJGD	
Nc1nc(Cl)cc(NNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)n1	753453723	IQDDYBYEYXRDJS-UHFFFAOYSA-N	424.675	4.568	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)Nc1ccc2nc(-c3ccccn3)oc2c1	757929421	SVIMBYFXDWQUFT-UHFFFAOYSA-N	423.432	4.510	50	20	HJGD	
COc1ccc(O)c(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762455631	CELCZVQPTVEAQX-UHFFFAOYSA-N	405.366	4.859	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)oc1-c1ccccc1	768254201	FLZJBEWXYSRQQZ-UHFFFAOYSA-N	400.394	4.674	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H]3CCOC4(CCC4)C3)c2C)cc1	768397344	NJRBYVRULIHRTP-BHJKQYKASA-N	403.526	4.527	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1	769994981	YRMOJQZABRGMCR-UHFFFAOYSA-N	420.900	4.620	50	20	HJGD	
CC(C)n1cnnc1-c1ccccc1NC(=O)NNc1ccc(OC(F)(F)F)cc1	770063173	WZAAZZFSCSOXPB-UHFFFAOYSA-N	420.395	4.573	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)c(Br)cc1O	775639817	VQCBABITFJGPBV-WDZFZDKYSA-N	424.197	4.555	50	20	HJGD	
CN(Cc1ccc(O)cc1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777962442	WCPUFCYSQONDCJ-UHFFFAOYSA-N	403.394	4.870	50	20	HJGD	
CCN(Cc1ccc(C(=O)NNc2nc3ccc(OC)cc3cc2C)cc1)C(C)C	778478869	IGGYJMXSFOOEBD-UHFFFAOYSA-N	406.530	4.539	50	20	HJGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	782116523	AVKBLTVSLKMFSV-UHFFFAOYSA-N	409.336	4.745	50	20	HJGD	
O=C(Nc1ccc(Oc2ccncc2)cc1)C(=O)NN(c1ccccc1)c1ccccc1	782822313	ZOHWIFYSWPBNQN-UHFFFAOYSA-N	424.460	4.682	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1Cl	783335864	CXXWYGBTKNPNTF-UHFFFAOYSA-N	416.264	4.868	50	20	HJGD	
CN(C(=O)c1ccco1)c1ccccc1C(=O)NNc1cc(Cl)cc(Cl)c1	791732437	DNCVXLOBOUWNFS-UHFFFAOYSA-N	404.253	4.620	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1C	798017309	LSOPDGUSHMIMGY-JBADITSHSA-N	411.933	4.545	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C	798142099	MHULVANXBUGWSI-UHFFFAOYSA-N	411.815	4.521	50	20	HJGD	
CC(C)Sc1ccccc1C(=O)NNc1cc([N+](=O)[O-])ccc1Br	800616512	NVPZIRZGOUMKBB-UHFFFAOYSA-N	410.293	4.615	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1	804197344	ALGRFCUCBNJVFQ-PBXDPIQXSA-N	400.400	4.724	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C	805376453	WHCQWZCKRQIOBC-UHFFFAOYSA-N	413.865	4.623	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1	805379055	QQRDTKICJRPMMR-UHFFFAOYSA-N	414.421	4.982	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cn4ccc(Br)cc4n3)c[nH]c2c1	811688877	UOGIBUGUQCPXJB-NTUHNPAUSA-N	405.255	4.676	50	20	HJGD	
CCc1noc(CC)c1CC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014645	RHAFDDHBXCQHHE-UHFFFAOYSA-N	409.330	4.523	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc([C@@H]2CCOC2)c1	817017001	UBGHMCZDSKTJMU-CYBMUJFWSA-N	418.337	4.985	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1	844266408	OMUVYJNWQJYDEA-UHFFFAOYSA-N	400.482	4.595	50	20	HJGD	
COc1ccc(NNC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)nc1	857490815	RTIYPHJEZXOSTJ-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
Cn1c(-c2ccccc2)c(C=NNC(=O)COc2ccc(F)cc2)c2ccccc21	916331828	XBVUWWHKONXUNR-UHFFFAOYSA-N	401.441	4.514	50	20	HJGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	916592344	GEYNRRIMEIIDMX-UHFFFAOYSA-N	420.812	4.820	50	20	HJGD	
CC(C)(C)C(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2	918585042	SVYFEJUAVYPMRS-CCEZHUSRSA-N	403.482	4.512	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1ccc(Oc2ccc(F)cc2)cc1	1253718881	OKRYZKIUWMJURV-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
CC(C)c1ccc(-c2noc(CCC(=O)NNc3ccccc3C(F)(F)F)n2)cc1	1317817001	IOSMKYNSNOUPSU-UHFFFAOYSA-N	418.419	4.955	50	20	HJGD	
Cc1c([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cnn1C	1322759069	YZHUEDMQISJCEG-BKQORJHRSA-N	421.932	4.574	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3csc(C)n3)cc2)CCC1	1787524758	ROMAPXLKARNVJB-INIZCTEOSA-N	405.951	4.607	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnc(C)s3)cc2)CCC1	1788863215	IXZNZNHUMOGJRE-INIZCTEOSA-N	405.951	4.607	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(F)(F)c3ccco3)cc2)CCC1	1791079768	QLSQIOKFOVDKLB-OAHLLOKOSA-N	410.848	4.523	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Br)cc2)CCC1	1791434154	FEDYGNQEVMIKTD-HNNXBMFYSA-N	421.379	4.896	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccccn3)cc2)CCC1	1791939261	UKAVZZFMZBBCCB-QFBILLFUSA-N	413.949	4.727	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC2(CCN(C(=O)c3ccc4occc4c3)CC2)C1	1805262634	BRWDNBYFBQBTEG-UHFFFAOYSA-N	416.949	4.543	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)CC1	1825439536	QOOOZQOCIZZXCC-RTBURBONSA-N	422.013	4.563	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1	1830913249	UMVALYOBFQXZDK-UXHICEINSA-N	416.949	4.684	50	20	HJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OCC	7164637	DVWCEXLDHXZIAX-RVDMUPIBSA-N	415.276	4.950	50	20	HJGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	8200191	FZILOSRPDXFTDY-VCHYOVAHSA-N	413.458	4.920	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)C(=O)Nc1ccc(SC(F)F)cc1	302777890	ZKWUSRRMKFJUHO-YVLHZVERSA-N	410.449	4.792	50	20	HJGD	
N#C/C(=C\C1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)c1ccc2c(c1)OCO2	726744248	YMRSRXYEVCSPES-LNKIKWGQSA-N	400.217	4.831	50	20	HJGD	
NC(=O)c1cccc(Oc2ccc(NC(=O)CCCC[C@H]3CCSS3)cn2)c1	726772719	BQWLRMYJWUPGPB-KRWDZBQOSA-N	417.556	4.625	50	20	HJGD	
Cn1cc(C=NNC(=O)c2c(Cl)cccc2Cl)c(-c2cc3ccccc3o2)n1	727779358	ZBGDBVBSORQQKZ-UHFFFAOYSA-N	413.264	4.904	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1ccc(Cl)cc1Cl	728176138	ODXNGIZWJXYTSX-QPEQYQDCSA-N	401.228	4.864	50	20	HJGD	
N#C/C(=C\c1nccn1CC(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2)cc1	728696463	RVQGYHUXAQEQCX-NTCAYCPXSA-N	412.371	4.783	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1ccc(F)cc1)c1ccc2c(c1)CCCC2	729310126	BMKUCNIZRXQPJC-UHFFFAOYSA-N	409.486	4.775	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)c3cc(F)c(F)c(F)c3)s2)cc1	730433509	OWUBKUYUFFYFDX-UHFFFAOYSA-N	419.428	4.577	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nnc(Cc3ccccc3F)s2)c1C	730984273	ZRBZAWGIISCGFM-WOJGMQOQSA-N	423.517	4.642	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c1C	732298515	CRZQXLCBPFQUBS-RIMDVYMRSA-N	420.340	4.579	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(O[C@H](C#N)CC)c2)c1C	733770932	LMIXARBCGZCOEJ-SINAZASISA-N	418.541	4.809	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1cc(Br)sc1Br	735032611	TXEZAAGSWGEPNN-UHFFFAOYSA-N	410.518	4.683	50	20	HJGD	
CCc1cc(NNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)nc(-c2ccccn2)n1	738531051	SOUWKSDMUUQDIJ-LEWJYISDSA-N	409.493	4.501	50	20	HJGD	
Cc1cccc(-c2ccc(CNC(=O)NNC(=O)NCc3ccc(Cl)cc3)cc2)c1	739039258	NIQIMJNPXBDZSH-UHFFFAOYSA-N	422.916	4.529	50	20	HJGD	
CCOc1ccc(OC(C)(C)C(=O)Oc2ccc([N+](=O)[O-])cc2Br)cc1	739300167	HIIJXTZEWYCYPJ-UHFFFAOYSA-N	424.247	4.519	50	20	HJGD	
O=C(NNC(=S)Nc1ccccc1Oc1ccccc1)c1cc2ccccc2o1	749832926	LFRSFBGDEHCIQJ-UHFFFAOYSA-N	403.463	4.857	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(F)(F)F	750900643	OWNUXOOAANLXTJ-MDWZMJQESA-N	410.779	4.835	50	20	HJGD	
COc1cc(C(=O)NNc2cc(Cl)ccc2Cl)cc(OC)c1Br	752812659	JFIFUVLQRKCACI-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(-c2cccs2)n(-c2ccccc2)n1	755834405	ZPDIVLUWEMWDFU-UHFFFAOYSA-N	414.412	4.775	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNc1nc2ccccc2[nH]1	768504486	JPYBWKWCWKRDTJ-UHFFFAOYSA-N	407.477	4.772	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Br)cc1	769773437	JOEZQIRCFWRBQI-MDWZMJQESA-N	418.678	4.607	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc2ccc(Br)cc2n1	771522221	ZAZJFGCOCIZONC-PTNGSMBKSA-N	422.282	4.942	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1ccc(SCc2ccccc2)cc1	771561773	RWIRZIKGIFTOJN-UHFFFAOYSA-N	414.328	4.893	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(Br)cc2Cl)csc1Br	773469822	UDLHOAGTBUTRHM-UHFFFAOYSA-N	424.545	4.992	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	774134384	KKQOCVGEJPYOSU-XYOKQWHBSA-N	412.269	4.716	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(Br)cc1Br	777465346	LIDQIMWCJCQLOZ-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl	777482125	AAJRPYNFJDPYRP-UHFFFAOYSA-N	423.879	4.646	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)cc(C#N)n1C	779299422	FEMITHJNCZVQHM-VCDQAHEJSA-N	406.489	4.583	50	20	HJGD	
COc1ccc(NNC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)nc1	781534207	WSTXOVXSOYZNLY-SDXDJHTJSA-N	422.488	4.882	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(F)cc1	782752516	WCKJWQDKESLCNQ-UHFFFAOYSA-N	422.382	4.619	50	20	HJGD	
C[C@H]1CCCCN1[C@@H](C)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782985166	YRGGWPUDQJCIQD-STQMWFEESA-N	422.485	4.885	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1	785254152	GZWQRWHLTIWNAO-JPOGYNCRSA-N	413.452	4.862	50	20	HJGD	
COCCOc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1	787146538	ZETGCUUFVGFKQH-FBKCMUNRSA-N	419.308	4.803	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccn3)C2)c(C)n1C1CCCCC1	798717744	JBERZGINGXJNAQ-AHFVYKFHSA-N	402.542	4.928	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)NNc1c(C)cccc1C(C)C)c1ccccn1	813125125	YFHOEMCLCAWTPT-HSZRJFAPSA-N	404.514	4.938	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2cccc(F)c2)C2CC2)c(C)n1C[C@H]1CCCO1	914487412	JPJOFHNTSCHPRF-NIQJEMAJSA-N	421.516	4.521	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3ccccc3OCc3ccncc3)cc2C1	914693837	QOGYQMARJKWXHC-INIZCTEOSA-N	405.523	4.611	50	20	HJGD	
O=C(NNC(=O)c1ccccc1SC(F)(F)F)c1ccc(Cl)cc1Cl	914752339	OBMQEAKAWMIMBU-UHFFFAOYSA-N	409.216	4.680	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc(C(C)=NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	914771930	LPNDNVWEZDKHLB-UHFFFAOYSA-N	410.562	4.617	50	20	HJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)Nc3cc(C)nn3-c3ccc(C)cc3)oc12	915856891	AWZOBCQQNVDABU-AQTBWJFISA-N	412.449	4.790	50	20	HJGD	
CCCCN1C(=O)CC[C@H](C(=O)NNc2cc(C)ccc2C)[C@H]1c1ccc(OC)cc1	917158408	DWRKWSRCXUAAGV-XUZZJYLKSA-N	423.557	4.535	50	20	HJGD	
CCOC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	918662545	GMFOQYDKNJKOKU-XMHGGMMESA-N	411.933	4.682	50	20	HJGD	
Cc1ccn2cc(CNC(=O)/C(C#N)=C\c3cc(C)n(C4CCCCC4)c3C)nc2c1	918706292	SEFFNMGSKCAYOT-BKUYFWCQSA-N	415.541	4.790	50	20	HJGD	
Cc1cc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)no1	919713348	PFPKSPPUTILAQV-ZDLGFXPLSA-N	408.889	4.610	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(C)c2C)CC1	1830305321	NYGQPNQSAWNKCJ-MOPGFXCFSA-N	411.011	4.616	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1	1830309715	JKWBUZCFWGSOQZ-WOJBJXKFSA-N	416.949	4.684	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccccc1F	7000872	ABMBRHPVEWRKJZ-FOWTUZBSSA-N	413.408	4.994	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccc(OCc3ccccn3)cc2)cc1	51486583	CYXRVDQNSQUBLR-QNGOZBTKSA-N	414.461	4.710	50	20	HJGD	
CCSc1nnc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)s1	209286982	VXZRCLKXQNUCIE-OLULMYBYSA-N	406.583	4.653	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2OC(F)F)c1C	726507315	QEOQHKHJSDMOIJ-ZNBBLSJYSA-N	417.456	4.768	50	20	HJGD	
COC(=O)c1coc(COC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1	726634499	KIVMVNSXIZPYSV-VCHYOVAHSA-N	410.470	4.640	50	20	HJGD	
Cc1ccccc1-c1cc(NC(=O)CCCC[C@@H]2CCSS2)n(CCO)n1	727384472	QONIBGZMKMOPTB-MRXNPFEDSA-N	405.589	4.503	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1OC	727655149	PMNFZSRTRXKEHO-OVCLIPMQSA-N	400.272	4.873	50	20	HJGD	
N#CCCN(C(=O)CCC(=O)NN(c1ccccc1)c1ccccc1)c1ccccc1	728151859	XSGKDPZRZYPQKD-UHFFFAOYSA-N	412.493	4.583	50	20	HJGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1ccc2ccccc2c1O	730568656	UWFKNGRHJKLFIZ-UHFFFAOYSA-N	401.491	4.752	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C(=O)O)c1)C(=O)c1ccc(F)cc1	731563486	QWZUIUHMZWISJO-UNOMPAQXSA-N	401.393	4.893	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)Nc1cccc2ccccc12	733333475	HIJBFZWGKZGGGJ-UHFFFAOYSA-N	424.386	4.859	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccc(OCc3ccncc3)cc2)cc1	733416633	JASOUEXWPHHCOQ-PXLXIMEGSA-N	414.461	4.710	50	20	HJGD	
O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NNc1c(F)cccc1F	735695607	ICROLBPAPXMDTO-UHFFFAOYSA-N	413.371	4.793	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)c1C	737629275	SGUPAQSAOASJIZ-OKPNHQCWSA-N	421.545	4.826	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1Oc1cccnc1	741768064	SDLOVGYFLWIHIN-UHFFFAOYSA-N	410.271	4.709	50	20	HJGD	
O=C(Cc1cc(Cl)ccc1Cl)NNc1c(F)cc(F)cc1Br	741980769	QVBZUFDHZXTHDJ-UHFFFAOYSA-N	410.045	4.720	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)c1C	743413870	CHSKGMJPFDDMEF-KRWDZBQOSA-N	418.545	4.677	50	20	HJGD	
Cc1ccc(NNC(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)nn1	743633340	MBBHNIVAGZZCLG-UHFFFAOYSA-N	418.284	4.710	50	20	HJGD	
CC(=NNC(=O)c1ccc(Br)s1)c1ccc(-c2ccncc2)cc1	745200061	ZLRGXELIUMRYRN-UHFFFAOYSA-N	400.301	4.727	50	20	HJGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)c1cccc(Br)c1)c1cccs1	745700528	BAFFWXFILAABPJ-MRXNPFEDSA-N	424.364	4.632	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1	746059328	RMEJOVATTKCGHI-RERGGYADSA-N	409.829	4.610	50	20	HJGD	
CC(=O)c1ccccc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	746315091	JJGZAUGSWFDENM-UHFFFAOYSA-N	402.075	4.715	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccc(C#N)c2)cc1	748045743	GGNQJJGDOFYDQH-UHFFFAOYSA-N	407.477	4.535	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccccc3Br)cs2)cc1	748058641	SFXSCXHSMNIFFX-UHFFFAOYSA-N	402.317	4.567	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c(OC)c1	760807496	PIZDYWLFWBECCM-RIYZIHGNSA-N	415.287	4.629	50	20	HJGD	
O=S(=O)(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cccc2c1OCCO2	762458208	YEZCBWKNTSLKCV-UHFFFAOYSA-N	417.377	4.916	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1	762522338	XAEFTMGIULCEGV-LLVKDONJSA-N	410.364	4.924	50	20	HJGD	
Cc1ccc2ncc(C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)c(=O)n2c1	762529130	QYHMLSDAHMGIJV-UHFFFAOYSA-N	405.348	4.913	50	20	HJGD	
CO[C@@]1(C)C[C@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1(C)C	762666951	RUECXOPCEKJZHL-LRDDRELGSA-N	416.412	4.602	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1ccccc1OCc1ccccc1Cl	765996314	YZOHETOOBUIENH-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
CSCc1cccc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	766259747	IWQZCLHZSAVEFS-UHFFFAOYSA-N	418.733	4.592	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NNc2c(Cl)cc(F)cc2Cl)C1	767407684	XFYSHALYUBRRDB-NSHDSACASA-N	420.312	4.613	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cc1	769078816	URPNIPZFWBDQPB-ZHZULCJRSA-N	412.493	4.831	50	20	HJGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NNc1ccc(C(F)(F)F)cn1	775261577	LGWQPSYHNJNJIY-UHFFFAOYSA-N	412.220	4.575	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(OC(F)F)c2ncccc12	775544695	GPMNWBCRPPQJGV-UHFFFAOYSA-N	414.199	4.687	50	20	HJGD	
O=C(NNc1ncccn1)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	775599267	SMKNPIVJDJOOHE-UHFFFAOYSA-N	424.823	4.758	50	20	HJGD	
COc1ccc(C(=O)c2ccccc2C(=O)NNc2c(Cl)cccc2Cl)cc1	781346755	LJFQIPLMWDAOQT-UHFFFAOYSA-N	415.276	4.990	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3[nH]c(CC)cc(=O)c3c2)c1C	781436416	RDSSASBVMLVZRW-UNOMPAQXSA-N	416.525	4.855	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(Cl)cn2)c(C)n1C[C@H]1CCCO1	781717853	RUQIEJNMJQEDKI-MLYRDGCOSA-N	413.905	4.544	50	20	HJGD	
COc1cccc(/C=C(\CC(=O)NNc2ccccn2)c2nc3ccccc3s2)c1	787496441	RTGRRBLMIXKDMS-GHRIWEEISA-N	416.506	4.774	50	20	HJGD	
CC(C)c1c(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cnn1-c1ccccc1Cl	787577146	KPSFDTXYGYPLCZ-WJDWOHSUSA-N	406.873	4.900	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(Br)cc2Cl)c(OC(C)C)c1	789818910	PCDVMOFTIVYEKS-UHFFFAOYSA-N	413.699	4.655	50	20	HJGD	
CN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)Cc1ncnn1CC(F)F	792882630	VSFOMVMNJXNMAK-UHFFFAOYSA-N	410.585	4.697	50	20	HJGD	
Cc1sc(Br)c(C(=O)NNc2ccccc2Br)c1C	799705539	JTLKLYFEVYDBAM-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(C(F)(F)F)cn1)c1csc(-c2cccs2)n1	800540151	YEHHXISUTMCXSX-UHFFFAOYSA-N	412.462	4.706	50	20	HJGD	
CSc1ccc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1	804210692	SJSCTOXUAYXERT-UHFFFAOYSA-N	404.417	4.641	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(Br)cc1C	807122056	SHNOMQIYGCGGSP-UHFFFAOYSA-N	415.287	4.701	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)ccc1Cl	811473222	YXWKBHZEYVYOLI-UHFFFAOYSA-N	411.911	4.538	50	20	HJGD	
N#C/C(=C/c1cn2ccc(Br)cc2n1)C(=O)c1ccc(Cl)cc1F	811693281	IWHKNIJDDATJHS-YHYXMXQVSA-N	404.626	4.679	50	20	HJGD	
Cc1nc(-c2ccccc2NC(=O)C(=O)NNc2c(C)cccc2C(C)C)cs1	813048768	HZSKEFXVHKYODO-UHFFFAOYSA-N	408.527	4.632	50	20	HJGD	
C[C@H]1C(=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC[C@H]1CC(=O)O	814726782	CADOWAOXZCNRGC-PBHICJAKSA-N	414.889	4.526	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2sc3ccc(Br)cc3c2C)c1	815857882	YTNUWBVQYWEJKV-UHFFFAOYSA-N	409.280	4.877	50	20	HJGD	
Cc1nc(CC(=O)NN=Cc2ccc(-c3ccc(Br)cc3)s2)cs1	863966707	LJTGLDNVPCQEEV-UHFFFAOYSA-N	420.357	4.635	50	20	HJGD	
Cc1nc(CC(=O)NN=Cc2ccc(-c3cccc(Br)c3)s2)cs1	914600267	URYQVCUOZYQQCP-UHFFFAOYSA-N	420.357	4.635	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2ccccc2OCc2ccncc2)c(C)n1-c1ccccc1	914693080	JIGRKKHDNGYCDP-UHFFFAOYSA-N	424.504	4.832	50	20	HJGD	
O=C(NN=Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(Cl)nc1	915979307	RWKIKMYWGHUFHW-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)c1ccc2c(c1)OCO2	915989216	CXPZMUYVCQLECX-GRSHGNNSSA-N	401.393	4.923	50	20	HJGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918270485	SBTKLWRQRXDWMR-BWACUDIHSA-N	422.900	4.929	50	20	HJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3sc4nc(C)cc(C)c4c3N)cs2)cc1	918711135	PZSGWFLDGWMDLG-UHFFFAOYSA-N	421.551	4.691	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc2cccnc12	1318072428	KJNHBNSZDPSZAI-UHFFFAOYSA-N	420.812	4.820	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cccc2nscc12	1790941582	IBFBMWPHPNWEDP-QGZVFWFLSA-N	417.893	4.578	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(C)s3)CC2)C1	1806164483	YPOCDRBCLLYTDE-SGQUHAKNSA-N	423.022	4.708	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2F)CC1	1832546742	KEEARPXCFWAVJM-QUCCMNQESA-N	422.972	4.775	50	20	HJGD	
O=C([C@@H]1C[C@@H]1C1CC1)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124252	UEIAEPHIOUEGPG-NHCUHLMSSA-N	423.041	4.986	50	20	HJGD	
Cc1cc(C)c(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(C)c1	6201327	QPMHGFUKLBZCPR-SSDVNMTOSA-N	421.541	4.775	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OC	6210202	LIMJTWNBRDHGDL-GXDHUFHOSA-N	407.495	4.747	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)c3ccccc3F)c2)cc1	16883090	XKWQTPXVPAOBRT-QGOAFFKASA-N	400.409	4.876	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C)cccc2CC)c1C	22205793	RNIXNGKPLVAJIM-HYARGMPZSA-N	421.541	4.865	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(CN(CC)CC)cc2)c1C	302760238	IBPAGSAREJVUCO-IWIPYMOSSA-N	406.574	4.580	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cc(Br)ccc1OC(F)F)C1CCCCC1	303443519	IEOIWIYEHFDVAQ-UKTHLTGXSA-N	413.262	4.749	50	20	HJGD	
CC(C)C[C@@H](NC(=O)NNC(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1	726851335	MGAGLDADEZIUTM-QGZVFWFLSA-N	411.399	4.576	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccc(Cl)cc2)n1)c1cccc2ncccc12	730145785	PLTFILKFOTXUBU-UHFFFAOYSA-N	422.897	4.688	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1OC	730434938	WVQFOMPXHIPKEF-WQLSENKSSA-N	410.779	4.922	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NN=C2CCC(NC(=O)OC(C)(C)C)CC2)cc1	731924051	PSGKFVPWVNIVHN-UHFFFAOYSA-N	417.550	4.665	50	20	HJGD	
C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)[C@H](C)C1	733666761	BUXWAUHQUPKBJQ-YXPOGWMNSA-N	422.900	4.785	50	20	HJGD	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)NNc1nccc2sccc12	734248531	WHZYSBOTJIBGIC-UHFFFAOYSA-N	414.487	4.536	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3c(F)cccc3F)o2)cc1OC	734367310	HQBVSKCIRIJQMU-JLHYYAGUSA-N	410.376	4.788	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(OC(F)F)c(Cl)c1)Nc1ccc(Cl)cc1	735627789	OSSRNVQNYIXSRZ-UHFFFAOYSA-N	421.256	4.618	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cnc(-c2ccccc2)s1	741977639	RKPFLXRFTADGJS-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
O=C(NN=Cc1c[nH]c2ccc(F)cc12)c1cc(-c2ccncc2)nc2ccccc12	747042010	KHLKPAIMGOLWTH-UHFFFAOYSA-N	409.424	4.681	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccc(F)c(F)c1F)c1ccc(Cl)cc1	748217950	YUEHCCJQIUVURI-UHFFFAOYSA-N	419.790	4.767	50	20	HJGD	
C/C(=C\C(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(F)cc1	749265469	LZFXUAJABBGEDT-BMRADRMJSA-N	424.497	4.514	50	20	HJGD	
C[C@@H](CCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	749875060	SHODHTBLSDXDMP-MCIDSYJDSA-N	423.520	4.681	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccnc2Cl)cc1	754480454	RMWZEBWUBKGGQU-UHFFFAOYSA-N	417.900	4.712	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)NNC(=O)c2cccc3ncccc23)c(C)c1	756280487	PGEILCAQQCNVTO-OAHLLOKOSA-N	408.527	4.900	50	20	HJGD	
Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)NNC(=O)c3ccccn3)cc2)c1	756682902	AYNCVLHZQFEOFE-UHFFFAOYSA-N	418.497	4.559	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1cccc(CC(F)(F)F)c1	756803766	RWEHZQNKJDJWFW-UHFFFAOYSA-N	406.191	4.565	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCN(C[C@@H]2CCCO2)CC1	762976090	QXODCDRBQGITFP-AWEZNQCLSA-N	415.428	4.673	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1ccc2oc(C3CC3)nc2c1	769948548	BJTGYGRLKVIMPN-UHFFFAOYSA-N	405.227	4.755	50	20	HJGD	
CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772951973	ALGWWPJPIAPXLS-UHFFFAOYSA-N	424.391	4.998	50	20	HJGD	
CC(C)(C)Sc1ccc(NC(=O)C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	773756792	NTFQIQCTUWIEMQ-UHFFFAOYSA-N	411.449	4.678	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1Oc1ccccc1	773767461	NKWWYGRICRXSKU-UHFFFAOYSA-N	415.371	4.580	50	20	HJGD	
Cc1cc(NC(=O)NNc2ccc(C(F)(F)F)cc2)ccc1OC1CCOCC1	775637155	NKZZBAYRHGSUQH-UHFFFAOYSA-N	409.408	4.720	50	20	HJGD	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNc3cc(Cl)ccn3)cc12	778447168	FZIAJAONNIRYGI-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccc(-c2ccccc2OC(F)(F)F)o1	780926136	KEDPVHQTVRXYRY-UHFFFAOYSA-N	420.372	4.607	50	20	HJGD	
CCC1(C(=O)NNc2c(Cl)cccc2Cl)CCN(C(=O)c2ccccc2)CC1	781346574	KFXRVSBZRRCJJE-UHFFFAOYSA-N	420.340	4.769	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1F)c1nc(O)c2cc(Br)ccc2n1	782196653	GKXBZIJAQWTOKO-YHYXMXQVSA-N	404.626	4.955	50	20	HJGD	
C/C(C=NNC(=O)c1ccc(Br)cc1Cl)=C/c1cccc([N+](=O)[O-])c1	787154262	IZWINXHTJGENEG-MMLBIMLISA-N	422.666	4.830	50	20	HJGD	
Cc1ccc(NNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1	787990676	FHYKRDNZUKJMBG-UHFFFAOYSA-N	405.285	4.818	50	20	HJGD	
O=C(NNC(=S)Nc1ccsc1)c1cc(-c2ccc(F)cc2)nc2ccccc12	790302494	OAQSDPVKKUCKRZ-UHFFFAOYSA-N	422.510	4.734	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cccc(C(F)F)c2)c(C)n1C[C@H]1CCCO1	791759869	DVABLTMTHYBKQQ-LYCWOWIHSA-N	414.452	4.872	50	20	HJGD	
COc1cc(OC)cc(C(=O)NN=C2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1	799470429	FENUILQBJNFTBM-CQSZACIVSA-N	406.404	4.776	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1C	800223351	ZCAVENDKUVJNKB-GCZWKDJSSA-N	415.537	4.505	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1C=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	802710177	WCBFWRFEEDXKNI-UHFFFAOYSA-N	419.485	4.516	50	20	HJGD	
Cc1cc(NNC(=O)c2cccc(C(=O)Nc3ccccc3)c2)ccc1Br	802828006	SIHXNWCKCJTTJO-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2c(F)cncc2F)c(C)n1-c1ccc(F)cc1	804823428	IYSYDVSXOITHGQ-VEJKBTLKSA-N	424.426	4.691	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)[C@H]2OCCc3sccc32)c(C)n1CC(C)C	816722598	BIPGUEJFPPFPNN-MKEAWOJXSA-N	411.571	4.548	50	20	HJGD	
CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	819557655	ZEYXJHMITNUYDM-HNNXBMFYSA-N	422.451	4.511	50	20	HJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccnc1	915843490	CVAQKPCSMMRBID-LCYAWQRWSA-N	411.509	4.536	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2C)cc1	915917898	OIALHEPBIXSKOZ-UHFFFAOYSA-N	423.520	4.718	50	20	HJGD	
Cc1cccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2C)c1	915928493	BZTUHSYOTSMSBC-UHFFFAOYSA-N	424.504	4.685	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccccn2)n1)S(=O)(=O)c1cc(Cl)ccc1Cl	915983568	NFKSNUFOYCTARN-MDWZMJQESA-N	422.318	4.850	50	20	HJGD	
Cc1ccccc1CN1CCC(NC(=O)NNc2ccc(Cl)cc2Cl)CC1	916382675	UGXVYCRONLINEM-UHFFFAOYSA-N	407.345	4.593	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl)O[C@@H](C)C2	916549674	YBNCYJVXVDASGY-RZBIUYHXSA-N	403.265	4.871	50	20	HJGD	
CC[C@H](CNC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccccc1	917541059	LJSOMBSDTLBOLP-AMARHBDRSA-N	405.542	4.501	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)Cn2ccnc2)c(C)n1-c1cccc2ccccc12	919842303	CHWBTKYVKVKIMR-TTXZLZEXSA-N	423.520	4.556	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1-c1ccccc1	920065155	WHGZAGUHYSENPG-ACCUITESSA-N	413.264	4.733	50	20	HJGD	
COc1ccc(CCC(=O)NN=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)cc1	920380128	PKGUTZDBPKBLLQ-UHFFFAOYSA-N	424.932	4.741	50	20	HJGD	
CC[C@H](C)c1ccc(-c2cc(C(=O)NNC(=O)NCC3CC3)c3ccccc3n2)cc1	920860205	QDXGLZGBNGIQET-INIZCTEOSA-N	416.525	4.769	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1	1254245556	JMGXTGHGOHTMMR-UHFFFAOYSA-N	420.476	4.603	50	20	HJGD	
CC(=NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)sc1Cl	1318614580	NUIDKKHDNYJAAJ-UHFFFAOYSA-N	420.362	4.542	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2C)c([N+](=O)[O-])cc1OCC(F)(F)F	1324502833	RGLCKXFGPISYDB-AUWJEWJLSA-N	420.343	4.643	50	20	HJGD	
Cc1c(/C=C(/C#N)c2nnc(COc3ccc(C(C)(C)C)cc3)o2)cc(C#N)n1C	1345704755	CGTIPIHBVMOGJZ-YVLHZVERSA-N	401.470	4.529	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccnc(Cl)c3)cc2)CCC1	1787385949	PEAVZKXEIKBKAK-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
Cc1cscc1C(=O)Nc1ccc(C2(NC(=O)CCBr)CCC2)cc1	1788744859	ZEPSNMYRTARZEE-UHFFFAOYSA-N	421.360	4.589	50	20	HJGD	
Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@](C)(Cl)CCl)cc3)CCC2)o1	1790494844	LVHXHXBJFMAYEZ-FQEVSTJZSA-N	423.340	4.501	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C)CCCCC2)n[nH]1	1822330019	SVQZSXDPDFCZSS-MRXNPFEDSA-N	408.974	4.637	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)cc2C)n[nH]1	1823315044	NUKCMJFLEIDFLU-WMZOPIPTSA-N	420.916	4.571	50	20	HJGD	
CC(C)CC(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	15840966	YLOWMPAJICGFIF-UHFFFAOYSA-N	402.494	4.740	50	20	HJGD	
CCCCn1nc(C(=O)NN=C2CCC(c3ccccc3)CC2)c2ccccc2c1=O	20885459	LEQZHTROCFVZMY-UHFFFAOYSA-N	416.525	4.640	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)ccc1SC	211843435	WEVZNAQHMCMYTE-UKTHLTGXSA-N	403.301	4.725	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc3scnc3c2)c(-c2ccccc2)n1	725738649	QBGZZFIKKHGIBX-BOPFTXTBSA-N	424.489	4.619	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	726618912	OPIRRNVIZRRLOZ-MRXNPFEDSA-N	413.827	4.700	50	20	HJGD	
Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)CCCC[C@H]2CCSS2)c1C	728524434	AABQHLRBVYGMKJ-WMZOPIPTSA-N	424.657	4.858	50	20	HJGD	
CCCn1c(C=NNC(=O)c2ccc(Br)cc2Cl)nc2ccccc21	728782638	QEOKYMPZSKTIOX-UHFFFAOYSA-N	419.710	4.626	50	20	HJGD	
COc1cccc([C@@H](C)N2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)c1	728891080	HHBBBYUHXYCUJR-XLIONFOSSA-N	408.633	4.615	50	20	HJGD	
CCC(CC)CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	729433756	STGQGWYODPTWLP-LDADJPATSA-N	409.921	4.577	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(\C#N)C(=O)N(C)C3CCCCC3)cc2)oc1C(=O)O	732714914	HHMLLYFLWFZHRG-QGOAFFKASA-N	422.481	4.563	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c(OC(F)F)c1	734096978	VJUADBRCYPZZKA-NTUHNPAUSA-N	422.815	4.813	50	20	HJGD	
Cc1cc(NNC(=O)CCc2nc(C)c(-c3ccccc3)o2)ccc1Br	734253280	PUCWYHZAWBKLFQ-UHFFFAOYSA-N	414.303	4.797	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=Cc2ccc(CSC(F)F)o2)cc1Cl	741770460	YZZBIDSPXKAIOZ-UHFFFAOYSA-N	419.837	4.562	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2coc(-c3ccc(C)cc3)n2)c1C	744737877	QFWPOTMLNOKONQ-CIAFOILYSA-N	402.498	4.702	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNc1ccc(Cl)cc1Cl	748018368	TWDORDWTGPDULA-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NNc1cccc2cnccc12	748773286	JAPJSMWSZABMCS-UHFFFAOYSA-N	416.428	4.939	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(COC(C)(C)C)cc2)c1C	752471882	CAFWQXUFEJTYCD-STZFKDTASA-N	409.530	4.612	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCOCC2(CCC2)C1	759931383	OBOABVVYDFKLTP-CQSZACIVSA-N	408.873	4.940	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC=C(C#N)CC2)c(C)n1-c1cccc(C(F)(F)F)c1	760008417	LJXFTYWESIPWEJ-ODLFYWEKSA-N	424.426	4.702	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2O[C@H]2CCOC2)c1C	760154133	KXSYKWHFEXJKPY-UKQGIEBLSA-N	407.514	4.618	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ccc(-c4ccccc4)nn3)cc2)cc1	760686938	NQNBQOBECBZPLW-UHFFFAOYSA-N	424.460	4.895	50	20	HJGD	
C=CCN1C(=O)/C(=C/c2ccc(OCCBr)c(Cl)c2)SC1=S	763107576	JNTBRJLTSUTZFV-LCYFTJDESA-N	418.765	4.501	50	20	HJGD	
Cc1cc(C(=O)NNc2ccnc(Br)c2)sc1-c1ccc(F)cc1	771531872	FMOYETQZBMTUEK-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
COCCOc1c(Cl)cc(NC(=O)NNc2ccc(F)c(F)c2F)cc1Cl	774112797	WKKCPRZFUVCNAV-UHFFFAOYSA-N	424.206	4.585	50	20	HJGD	
COc1ccccc1NC(=O)c1ccc(NC(=O)NNc2cccc(Cl)c2)cc1	775460175	PWKYBWIMSAPLFC-UHFFFAOYSA-N	410.861	4.750	50	20	HJGD	
C[C@@](CO)(NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1	777959903	JEJICXDUYDHHGU-HNNXBMFYSA-N	417.421	4.530	50	20	HJGD	
CC1(C)C[C@@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C(C)(C)O1	778059764	YMPPPSVQLTZAIQ-GFCCVEGCSA-N	409.442	4.968	50	20	HJGD	
O=C(C[C@@H]1C=CCCC1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	778709684	BIRKNMISNNIFIN-LLVKDONJSA-N	405.410	4.895	50	20	HJGD	
C[C@H](Cc1ccncc1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782983064	IGIGUHJYNOHSSM-LLVKDONJSA-N	402.410	4.649	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Cl)cc(F)c1Br	785867859	COVORFFNQXEODP-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc1	787717767	RMDGONUMMRWZNU-CPNJWEJPSA-N	417.440	4.635	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ncccc2C(F)(F)F)cc1)c1ccccc1	788588518	UORIRXYCFKJAJG-AWEZNQCLSA-N	401.388	4.997	50	20	HJGD	
CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792873145	RSEKFMQWAFHJKS-DNVJHFABSA-N	418.698	4.892	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(C)cc1-c1cnn(C)c1	801647084	BEBMBWOFDIQIQE-RQZCQDPDSA-N	420.900	4.912	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1	817882398	LNUHLNACSPUPJH-UHFFFAOYSA-N	423.538	4.865	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)Cc2ccccc2Cl)c1C	915631180	ROVHEAUWYNUQNB-LLAWBURQSA-N	413.949	4.620	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1OC(F)F	916493916	CUVNSWWZILEYNY-QGZVFWFLSA-N	419.472	4.681	50	20	HJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1	918715385	GWKOMPISZGFROK-WMZJFQQLSA-N	401.098	4.829	50	20	HJGD	
Cc1cc(OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	919684475	PXSXDRNZLQKMPD-CQSZACIVSA-N	422.397	4.599	50	20	HJGD	
Cc1cc(OC(=O)CCSc2ncnc3sc(C)c(C)c23)ccc1[N+](=O)[O-]	920113760	NTCWYQXRMFWARR-UHFFFAOYSA-N	403.485	4.613	50	20	HJGD	
CCCc1ccc(C(=O)N2CCC3(CCCN(C(=O)[C@H](Cl)CCC)C3)CC2)cc1	1806163605	UULPERWQJJYMPW-OAQYLSRUSA-N	419.009	4.891	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)cc1C	1814697459	HSCCRUPHGHJRIK-SFHVURJKSA-N	416.953	4.597	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)CC1	1832889687	RSYLUXKYNXXNHP-NYVOZVTQSA-N	419.009	4.817	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2c(c1)C[C@@H](C)O2	727744605	TWNMVRSUIOVNNJ-MQOXYSQQSA-N	403.265	4.871	50	20	HJGD	
O=C(NN=Cc1ccc(SC(F)(F)F)cc1)c1cc(F)ccc1Br	728435778	HBEDWQJEMQEPDQ-UHFFFAOYSA-N	421.213	4.964	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nccn2Cc2ccccc2)c1C	728601237	ABNPYQKHPPXLLS-PXLXIMEGSA-N	401.514	4.696	50	20	HJGD	
CC[C@H](C)[C@@H](C(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	728832714	PAIYKUKOMBPIBY-YVEFUNNKSA-N	423.738	4.693	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC(C2OCCO2)CC1	729552062	APQGDTHUZWTVPN-OAHLLOKOSA-N	424.872	4.523	50	20	HJGD	
COc1ccc2oc([C@H](C)NC(=O)NNc3ccc(OC(F)F)cc3)c(C)c2c1	730133143	NTIVZLHBMMMZDG-LBPRGKRZSA-N	405.401	4.739	50	20	HJGD	
Cc1nc(-c2ccc([C@@H](C)NC(=O)c3c(C)nn(CCCl)c3C)cc2)cs1	733917939	YPKHCIXROGCHND-GFCCVEGCSA-N	402.951	4.662	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	733990711	IUEASHTUQKXEDO-SNNSLFBDSA-N	415.541	4.703	50	20	HJGD	
CC1(C)C(=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)[C@H]2CCCO[C@@H]21	743431393	UJNDNKUFZGOEOE-ACJLOTCBSA-N	403.935	4.572	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c(C)c1	743762006	HSXKKDCNAZRWQW-UHFFFAOYSA-N	403.511	4.678	50	20	HJGD	
CCc1nnc(-c2ccc(NC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)cc2)o1	743806025	DFLODYILNGDGJW-NDENLUEZSA-N	417.513	4.919	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc3cccnc23)c(C)n1CCC(C)C	745083084	ZPNPBXHREPKIFT-OEAKJJBVSA-N	400.526	4.923	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc[nH]2)c(C)n1-c1cccc(C(F)(F)F)c1	746320135	UYUQXCOWVYHJLR-YVLHZVERSA-N	412.415	4.664	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNc3ccc(OCC(F)(F)F)cc3)c2)n1	748694396	MQAHIBPSSIJSQS-UHFFFAOYSA-N	407.417	4.817	50	20	HJGD	
Cc1nc(NCC(=O)NNc2ccc(Cl)cc2)c2cc(-c3ccccc3)sc2n1	749271015	NQHACVQDPKRZQN-UHFFFAOYSA-N	423.929	4.875	50	20	HJGD	
NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752982326	MGCQCYBADGVIOJ-AWEZNQCLSA-N	409.380	4.562	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cc2c(s1)-c1ccccc1OC2	754467784	QHHDOAQZGSFMPH-UHFFFAOYSA-N	400.463	4.521	50	20	HJGD	
N#C/C(=C\c1ccc(F)c2cccnc12)C(=O)Nc1nc2ccccc2nc1Cl	759116816	SWLDTAWFRJSTEB-JLHYYAGUSA-N	403.804	4.516	50	20	HJGD	
O=C(/C=C/c1ccc(Cl)nc1)NNc1c(Cl)cc(Br)cc1Cl	759182735	MJZNDRBCFBUADO-DUXPYHPUSA-N	421.509	4.961	50	20	HJGD	
N#CCCn1ncc(C(=O)NNc2cc(Cl)ccc2Cl)c1-c1ccccc1	760462477	FRUIKUSTYZTSCB-UHFFFAOYSA-N	400.269	4.527	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c(C)n1CCC(C)C	761584687	AHRCBKJQGNEDJS-NDENLUEZSA-N	415.541	4.560	50	20	HJGD	
O=C(CNc1cccc(S(F)(F)(F)(F)F)c1)NC[C@@H]1COc2ccccc2O1	762531247	QSCRQJQHWGPQFX-CYBMUJFWSA-N	424.391	4.712	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(C)n1CC(C)C	765323008	IZSUAKDDEIOARY-WTKHMKJISA-N	405.542	4.704	50	20	HJGD	
C[C@H](CNC(=O)NNc1c(Cl)cc(F)cc1Cl)c1nc(-c2ccccc2)no1	768100983	BGXOPYPATUHTGH-SNVBAGLBSA-N	424.263	4.612	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Cl)cc2Cl)cnn1-c1ccccc1OC	769605107	IAVKSYGRCHBRKC-UHFFFAOYSA-N	405.285	4.507	50	20	HJGD	
O=C(CC1(CSc2ccccc2)CC1)NNC(=S)Nc1cccc(Cl)c1	770219551	JWQMEXGCJUAHPH-UHFFFAOYSA-N	405.976	4.620	50	20	HJGD	
C[C@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773569367	BKLMZJRQLMEECC-SSDOTTSWSA-N	400.291	4.740	50	20	HJGD	
CCCN(N=Cc1cc(Br)c(OCC)c(OC)c1)C(=O)OC(C)(C)C	794995687	MECAKANHBHFTRD-UHFFFAOYSA-N	415.328	4.837	50	20	HJGD	
CC(C)(C(=O)NNc1c(Cl)cc(Br)cc1Cl)C1CCOCC1	795136452	IJWSKQDGCTVECX-UHFFFAOYSA-N	410.139	4.652	50	20	HJGD	
Cc1nc(-c2ccccc2NC(=O)NNC(=O)Cc2cccc3ccccc23)cs1	797669539	SMYBZSNZWWYHLZ-UHFFFAOYSA-N	416.506	4.667	50	20	HJGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1	799741305	NNBBOFKUAVQHOX-QXMHVHEDSA-N	405.223	4.763	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc(F)c(Br)c(Cl)c1	802830489	ZIIWDEWQFKAZBA-UHFFFAOYSA-N	409.589	4.600	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccc(-c2ccccc2OC(F)(F)F)o1	805473355	LHUYJFSEJRUUQU-UHFFFAOYSA-N	418.375	4.660	50	20	HJGD	
CCc1cc(NNC(=O)c2coc3ccc(C(C)C)cc23)nc(-c2ccccn2)n1	806838712	LLDFGBLPSXLQSD-UHFFFAOYSA-N	401.470	4.728	50	20	HJGD	
CC[C@@H]1CCC1=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1	807975951	HUHFJFMMOPXPOG-CQSZACIVSA-N	406.602	4.523	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccc(C#N)cc3C(F)(F)F)cc2)n1	811493049	DLBWICDBPMCUQE-UHFFFAOYSA-N	417.416	4.843	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c(C)[nH]1	917565780	VJCCNDDORGNTFT-UHFFFAOYSA-N	403.511	4.564	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OCC#N)cc3)c2C)c1	1317953490	YHAJQQLRMAWODM-QNGOZBTKSA-N	410.477	4.851	50	20	HJGD	
CN1CCN(c2ccc(/C=C(/C#N)C(=O)c3cc4ccccc4s3)cc2F)CC1	1320949750	RSXGNSWHTLCYNV-PDGQHHTCSA-N	405.498	4.582	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Br)CCC3)cc2)s1	1787281901	AGNDZMPUGPRHHP-CYBMUJFWSA-N	421.360	4.588	50	20	HJGD	
O=C(/C=C/c1ccccc1)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1787781536	ISYXDEVXFXAZNG-KPKJPENVSA-N	403.309	4.638	50	20	HJGD	
Cc1cc(F)c(F)c(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)c1	1788589092	VTFDRCKPPXONFU-KRWDZBQOSA-N	410.823	4.555	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	1797868926	HIQVLIAQSRUMFO-UOZQCWKMSA-N	409.014	4.639	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](C)c2ccccc2)n[nH]1	1822043967	CPICZWDKHMHHLJ-AYBZRNKSSA-N	416.953	4.613	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2F)CC1	1824608986	FLUJFKIDNNAUBZ-RDJZCZTQSA-N	414.974	4.528	50	20	HJGD	
CC(C)OCc1c(C(=O)NNC(=S)Nc2cccc(Cl)c2)oc2ccccc12	16055531	CRCHTOFINVJUAW-UHFFFAOYSA-N	417.918	4.643	50	20	HJGD	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)c1ccccc1	33703335	OWKIGRIYOYDNNL-SDQBBNPISA-N	407.061	4.707	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CC(F)(F)F)cc2)c1C	303911611	RHSZMRZUYFSFHZ-HNIBHBHRSA-N	419.447	4.963	50	20	HJGD	
CCCCC[C@@H](NC(=O)NNC(=O)c1ccc(Br)s1)c1ccccc1	728065718	LESNKWBEVYMQFW-CQSZACIVSA-N	424.364	4.776	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2)c2cccnc2)c(C)n1CC(C)C	728493736	ZXOHMXJQKPSDCT-BZNKKWMXSA-N	412.537	4.969	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccn(-c3ccncc3)n2)c(C)n1C1CCCCC1	733769547	HHPUMXWUNKCARB-HMMYKYKNSA-N	414.513	4.737	50	20	HJGD	
CCC(CCc1ccc(Br)cc1)=NNC(=O)c1ccc(O)c(Cl)c1	734093346	AVNWMTJOEHOJSV-UHFFFAOYSA-N	409.711	4.937	50	20	HJGD	
Cc1csc(C(C)(C)NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)n1	734804804	CHBSLILWLVONJN-WOJGMQOQSA-N	422.529	4.957	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	735251837	RTYGZCQGCOXJHK-UHFFFAOYSA-N	414.849	4.692	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)c1	735329197	IISOKKLIVREIAQ-UHFFFAOYSA-N	411.477	4.880	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3c(F)cccc3F)cc(-c3ccccc3)nc21	735694081	CWRXIFDXPCKYEV-UHFFFAOYSA-N	407.424	4.714	50	20	HJGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	741849479	YOMWKRPUFWIUCR-NTUHNPAUSA-N	421.409	4.652	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@@H]1CCC[C@@H](C(F)(F)F)C1	741976974	AECXPLFHJOPBQR-HTQZYQBOSA-N	401.173	4.539	50	20	HJGD	
Cc1oc(-c2cccs2)nc1C(=O)NNc1c(F)cc(F)cc1Br	741978451	HVAPVCONSMENTE-UHFFFAOYSA-N	414.231	4.509	50	20	HJGD	
Cc1nc(COc2cccc(C(=O)NNc3ccc(C(F)(F)F)cc3)c2)cs1	747588996	WXRXTGNMAYWNOW-UHFFFAOYSA-N	407.417	4.806	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1occc1CSc1ccccc1	748718294	TVIGNSDHEXPPHS-UHFFFAOYSA-N	403.847	4.890	50	20	HJGD	
COC(=O)c1cc2c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)ccc(OC)c2o1	748994137	HHRAKGPNUNFJCM-ZROIWOOFSA-N	424.840	4.736	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	750037872	CWXBTVQCTVZLOU-XKZIYDEJSA-N	419.460	4.563	50	20	HJGD	
O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NNc1cc(C(F)(F)F)ccc1F	754153194	BCRDYLWBCOOJBU-UHFFFAOYSA-N	413.758	4.839	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2cc(Cl)ccc2SC2CCCC2)c1	756186834	PIIWYCDIVHOOIM-UHFFFAOYSA-N	404.919	4.918	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	756629975	BRRXCSIMQGWMEW-KGLIPLIRSA-N	405.564	4.872	50	20	HJGD	
Cc1cc(NNC(=O)c2nn(-c3ccccc3Cl)cc2C)ccc1Br	767084244	NEMRZADDYBLWQJ-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	767405853	VSJYUHJUCHFZLT-UHFFFAOYSA-N	412.292	4.504	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2sc(CCOC)nc2C)c1C	773915769	VJBZIUHNLVZVRZ-DAQNXSASSA-N	415.559	4.680	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)c1ccc(C#N)c(Cl)c1	774149732	OGZPMVFVPIQLSI-HSGPEQJXSA-N	424.932	4.798	50	20	HJGD	
Cc1cc(Oc2ncccn2)ccc1NC(=O)NNc1cccc(C(F)(F)F)c1	775563364	PQMFWAKRKOUGFI-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
Cc1cc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)ccc1C(N)=O	777624002	POHALLJCCZOXHV-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H](c2cc[nH]n2)C1	782984853	XLMGMTRKQPVNKJ-NSHDSACASA-N	417.425	4.635	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)cc1Cl	783717215	AFRVSXCSKZTUDE-UHFFFAOYSA-N	424.231	4.523	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	785347544	YKIDOOTUGOETNN-OBKVJGTNSA-N	412.445	4.956	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	787311517	FJRNSAJGCHUHSC-YBFXNURJSA-N	413.408	4.528	50	20	HJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)Nc3ccccc3Br)sc2c1	788690786	VAZHYIVGCKPAHE-DHZHZOJOSA-N	414.284	4.613	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCOC[C@H]1[C@H]1CCCO1	806421621	BKALNEPNEYJXSN-UONOGXRCSA-N	402.385	4.756	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	812767765	SPGHBQGMOLLEEV-SFHVURJKSA-N	401.551	4.599	50	20	HJGD	
CC(=NNC(=O)COc1cc(C)ccc1C(C)C)c1ccc(NC(=O)NC(C)C)cc1	915048695	KZIMQIGBRFEUAN-UHFFFAOYSA-N	424.545	4.568	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2c(Cl)ccc3cccnc23)c1C	915365337	HWPGFIBDMHOVLH-UNOMPAQXSA-N	423.900	4.603	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc(Br)ccc1F	916349571	QMIDCEYDFHGXGK-UHFFFAOYSA-N	418.291	4.784	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H](c1ccccc1)c1cccc(Cl)c1	916651000	BMFPVHDNIGVQHG-LJQANCHMSA-N	414.292	4.727	50	20	HJGD	
Cc1ccc(SCC(=O)NNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)cc1	918205024	FHSXQLQRYQTWGY-GOSISDBHSA-N	421.566	4.576	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(F)c2)c(-c2ccccc2)n1	918597870	WAHJIJIGXCRLSL-WJDWOHSUSA-N	419.847	4.802	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NNC(=O)c1ccc2ccccc2c1	918624395	QFLIJRUKMSNSMZ-UHFFFAOYSA-N	421.909	4.620	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1C	919936357	LAGFFDBPMAWUOY-ALFKQNEGSA-N	422.548	4.594	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)oc1C1CC1	1321516570	HQQIVRJYRYNBEF-UHFFFAOYSA-N	403.360	4.875	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCSC3)CCC2)cc1	1786013509	LZLIBQNQIGGHQA-OAHLLOKOSA-N	408.995	4.529	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c(F)cncc3F)cc2)CCC1	1789863818	HYCDRLDNODXSTR-OAHLLOKOSA-N	421.875	4.515	50	20	HJGD	
Cc1ccccc1CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1791342773	YCKXLMOGRKWIOI-HXUWFJFHSA-N	402.897	4.596	50	20	HJGD	
O=C(CCc1ccsc1)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791604830	WGWMFCGPEPUXPY-UHFFFAOYSA-N	411.354	4.619	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)[C@@H](CC)c3ccccc3)C2)CC1	1809007161	XWTIGAAQTVKZRQ-LEWJYISDSA-N	419.009	4.819	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)cc2F)n[nH]1	1821022412	WYLZFDWCJKNSPI-QAPCUYQASA-N	420.916	4.571	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1	1824014870	JHDQNBYTQNGGNG-RKRRMPDFSA-N	423.041	4.842	50	20	HJGD	
CCCCC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(Cl)Cl)CC1	1831880943	OSFMDXVURWBXLM-WBVHZDCISA-N	405.410	4.626	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2F)CC1	1832546737	KEEARPXCFWAVJM-AZUAARDMSA-N	422.972	4.775	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OC(F)F	6209347	CCLRESCLRZEPAJ-XYOKQWHBSA-N	412.314	4.861	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2sc(-c3ccc(F)cc3)nc2C)c1	15665111	VARLEOPMRUIXLB-UHFFFAOYSA-N	414.531	4.506	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	16202234	GTMQNHMOQFNUQW-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	57395543	RPZRGTATDJWODP-WDZFZDKYSA-N	411.177	4.719	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cs2)cc1	63275853	KFLQHEOONNLZBC-WJDWOHSUSA-N	405.479	4.585	50	20	HJGD	
CN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(CCCCl)cc1	316464649	NGWODMMSHVRHTP-UHFFFAOYSA-N	422.797	4.503	50	20	HJGD	
O=C(Nc1cccc(F)c1)C1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	725720476	ZOPCVKZOPSYMMA-SFHVURJKSA-N	410.580	4.717	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccnc(Sc3ccccn3)c2)cc1	726771710	HGLOKHJERALPST-LGMDPLHJSA-N	402.479	4.572	50	20	HJGD	
CCn1nc(C)c(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1C	727331773	WHXWKHBWHWGNOD-FYJGNVAPSA-N	407.562	4.667	50	20	HJGD	
CCCN(CCC)C(=O)c1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1	728716707	KJBWCSGAWUAPOZ-UHFFFAOYSA-N	407.436	4.725	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccccc1	731931584	LBFXDEYXDYJIDM-HXUWFJFHSA-N	424.501	4.611	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2ccc(F)cc2F)c(-c2ccccc2Cl)n1	733364529	JJFVLXPNSSLETH-UHFFFAOYSA-N	404.848	4.994	50	20	HJGD	
Cc1cccc(Oc2ccc(NC(=O)/C(C#N)=C/c3cc(C#N)n(C)c3C)cn2)c1C	734462330	CLSDNYOYZXTDHZ-VXLYETTFSA-N	411.465	4.555	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)c1C	737599788	OVBZZTCRIDAXDC-CLNDVXHUSA-N	419.569	4.747	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cs1	741471384	YKMSNVKZEXIHKI-MHWRWJLKSA-N	414.494	4.780	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=C(C)c2nc3ccccc3s2)cc1Cl	741768831	BAPCLXWSNKVKKC-UHFFFAOYSA-N	404.879	4.513	50	20	HJGD	
COc1cc(Cl)ccc1CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743598687	INIYFZFBUMXZSA-UHFFFAOYSA-N	424.888	4.552	50	20	HJGD	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NNC(=O)c1cccc2ccccc12	743630219	PTIVCPAYUMYBHV-CQSZACIVSA-N	415.415	4.906	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc3c2oc(=O)n3C)c(C)n1C1CCCCC1	753307460	CAMRJCNXTKSDCG-AQTBWJFISA-N	418.497	4.601	50	20	HJGD	
COc1cccc(Nc2ccccc2C(=O)NNc2ccc(-c3ccccc3)nn2)c1	754469867	QXHZLKITKHRPHG-UHFFFAOYSA-N	411.465	4.653	50	20	HJGD	
Cc1nn(C(C)(C)C)c(C)c1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	755535124	XBUKINOHZKZNPM-UHFFFAOYSA-N	415.497	4.827	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C[S@](C)=O)c(C)n1CCC(C)C	762506660	HDNSEHBQYFBSEY-MIQMEJSGSA-N	411.571	4.575	50	20	HJGD	
N#Cc1ccc(OCc2ccc(C(=O)NNc3c(Cl)cccc3Cl)o2)cc1	763613109	XTUNBYLNNOBGNP-UHFFFAOYSA-N	402.237	4.794	50	20	HJGD	
N#C/C(=C\c1cccc2c1OCCCO2)c1ccc([N+](=O)[O-])cc1Br	765613521	MYAGNFZCQNTHJW-UKTHLTGXSA-N	401.216	4.583	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(OCC2CCOCC2)cc1	770034606	PIIUPRWQRNDIMX-UHFFFAOYSA-N	410.301	4.947	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1ccn(CC(F)(F)F)n1	770076632	ZEEFRNDQLRYHDI-UHFFFAOYSA-N	402.591	4.554	50	20	HJGD	
C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)NNc3cccc(Cl)c3)c2)C1	773728903	DQAMJQAYCRCPDD-YWZLYKJASA-N	415.921	4.517	50	20	HJGD	
O=S(=O)(N[C@@H](CCO)c1cccs1)c1cccc(S(F)(F)(F)(F)F)c1	777978969	MPNGTDZAOZCZBR-LBPRGKRZSA-N	423.450	4.808	50	20	HJGD	
O=S(=O)(N[C@@H](CO)C1CCCCC1)c1cccc(S(F)(F)(F)(F)F)c1	777984027	RCUMJEHJRQVFHX-AWEZNQCLSA-N	409.442	4.564	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)ccc1[C@@H](C)O	781004162	XHWDTGXVKMQUHE-UOIFGXKSSA-N	420.557	4.590	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cn(-c2ccc(F)c(Cl)c2)nn1	782888177	UZOZSURISVPCOV-MDWZMJQESA-N	405.820	4.639	50	20	HJGD	
CCn1c2ccccc2c2cc(NC(=O)C(=O)NNc3cc(C)ccc3C)ccc21	783366558	KXHRBTXBHZMFDK-UHFFFAOYSA-N	400.482	4.513	50	20	HJGD	
N#CCCCOc1cccnc1NC(=O)NN(Cc1ccccc1)c1ccccc1	786147818	QCFMDAKXKGTDBS-UHFFFAOYSA-N	401.470	4.507	50	20	HJGD	
CCOc1ccc([C@@H](C)NC(=O)NNc2ccc(Cl)c(OC)c2)cc1OCC	788848935	MHHKBJDGUBUXLO-CYBMUJFWSA-N	407.898	4.533	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccccc1SCC(F)(F)F	790483272	LSOLKQJUNGPQCC-UHFFFAOYSA-N	404.345	4.537	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ccc(Br)cc2)c1C(C)C	790807279	VHENNCCVMJFCRO-UHFFFAOYSA-N	413.319	4.824	50	20	HJGD	
Cc1nc2c(C(=O)NNc3c(Cl)cc(Br)cc3Cl)cccc2o1	791609999	WXAYWNYROJLCJP-UHFFFAOYSA-N	415.074	4.962	50	20	HJGD	
O=C(NNC(=O)c1ccc(C2SCCCS2)cc1)Nc1ccc(Cl)cc1	802019770	VPWWBHJCBLYOOB-UHFFFAOYSA-N	407.948	4.675	50	20	HJGD	
CCC[C@]1(CO)CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	808349080	IDPMXUZXHJBPEN-AWEZNQCLSA-N	409.442	4.517	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)cc2)n1	810338145	POQYLIOJHHWNBZ-UHFFFAOYSA-N	421.309	4.577	50	20	HJGD	
O=P(CCN1C[C@H]2CCCCN2c2ccccc21)(c1ccccc1)c1ccccc1	815228120	PBXGXXOGXKYKRU-JOCHJYFZSA-N	416.505	4.880	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(CSc2nc3ccccc3[nH]2)cc1	876960191	AFFIVTZCNLECME-UHFFFAOYSA-N	410.449	4.890	50	20	HJGD	
COc1cc(-c2noc(/C(C#N)=C/c3cc(C)n(C4CCCCC4)c3C)n2)ncn1	904789150	VFKHOWMDIWRBHO-LICLKQGHSA-N	404.474	4.523	50	20	HJGD	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)N1CCn2c1nc1ccccc12	915853390	FMDFIWWSHBUYEG-PGMHBOJBSA-N	420.472	4.569	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1O	915922962	QKOUEOUCMDTAOP-UHFFFAOYSA-N	415.424	4.519	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C\c3cnn(-c4ccc(Cl)cc4)c3)nc(O)c2c1C	915984450	GZBUPIUPUYXJRQ-AUWJEWJLSA-N	407.886	4.917	50	20	HJGD	
CC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccccc2)cc1	916253645	DGCOTVBYSWPIEC-UHFFFAOYSA-N	421.884	4.512	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cs1	917561823	OLSPWLBTJBCTLR-GXDHUFHOSA-N	424.432	4.652	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)cc1	920292315	QTKVLVIBBITFDP-LDADJPATSA-N	407.470	4.835	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(CCCc3ccccc3)o2)c1C	1117231770	WHTAVMYMHFFMDL-GFHXCNCHSA-N	404.514	4.935	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@@H](CCc1ccccc1)c1ccccc1	1323720863	FNUYRVAJOMFPOT-NRFANRHFSA-N	407.901	4.658	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(F)c3)cc2)CCC1	1785952358	BLUIOPMZTPCMBW-QGZVFWFLSA-N	418.896	4.599	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c(F)c3)CCC2)cc1	1786447573	ZWLUPRRHQKTOKS-KRWDZBQOSA-N	418.896	4.687	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)s3)C2)CC1	1808203481	IUALXRCUPBQTGU-AWEZNQCLSA-N	417.402	4.654	50	20	HJGD	
CC(C)Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)cc1	1830690980	CPGFOFHXTKDCKF-SFTDATJTSA-N	422.972	4.653	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1-c1ccc(C)cc1	1847866683	GEHAXHLQXAODIO-VABKMULXSA-N	424.972	4.885	50	20	HJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCC	6410986	VFWOECOUEQSVHD-XNTDXEJSSA-N	415.276	4.950	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc([N+](=O)[O-])cc1	7006818	SCKXSKDMGAXOBF-FYJGNVAPSA-N	407.433	4.966	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(Cc3ccccc3)CC2)c1C	24426380	PANWWBFJDUFULC-UVPCLOGWSA-N	419.569	4.701	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1	207207010	FSWZZWGNPTVTNB-VBKFSLOCSA-N	405.479	4.763	50	20	HJGD	
O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1c(Cl)cccc1Cl	727793409	HTWZRBBVBIWTMO-UHFFFAOYSA-N	424.136	4.854	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCCc2nccs2)c(C)n1-c1cccc(Cl)c1	733257348	QENDTOYKCHIGNB-LDADJPATSA-N	424.957	4.860	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3ccc(COC)cc3)cc2)cc1	741759671	DDKHOUIWTOKTPZ-UHFFFAOYSA-N	418.493	4.575	50	20	HJGD	
Cc1nn(C)c2nc(Cl)c(C=NNC(=O)Nc3ccc(-c4ccccc4)cc3)cc12	741766147	QBUFGOWEOJMCIK-UHFFFAOYSA-N	418.888	4.753	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N2CC=C(c3cccc4ccccc34)CC2)cc(C#N)n1C	745997804	VGMWPGMRDNMFSM-HYARGMPZSA-N	406.489	4.581	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(Cl)cc(Br)c1	748079392	ANNVQJLBYJYDGX-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1ccc(Cn2cc(C(=O)NNc3ccc(C#N)cc3)c(-c3ccc(C)cc3)n2)cc1	748117488	HGDDYCIKQOFWJU-UHFFFAOYSA-N	421.504	4.844	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cnc2ccccc2c1C(F)(F)F	748498768	WEWHUTDVJVZVON-UHFFFAOYSA-N	415.293	4.909	50	20	HJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2ccc(OC(F)F)cc2)on1	748643720	MAVYFHDBFZEDAL-UHFFFAOYSA-N	405.426	4.634	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cnn(-c2ccccc2)c1C(C)C	748744968	XJMWFGDOQOMXID-UHFFFAOYSA-N	413.319	4.824	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1Cl	753315816	LTOUNZFTNFJKHT-UHFFFAOYSA-N	405.845	4.613	50	20	HJGD	
O=C(Nc1ccccc1O[C@H]1CCOC1)NN(Cc1ccccc1)c1ccccc1	760065975	NITZEVBZCKZZOK-NRFANRHFSA-N	403.482	4.598	50	20	HJGD	
COc1ccc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	764420618	LXDXVGXXOSXPBA-RLDUHEAQSA-N	408.498	4.504	50	20	HJGD	
CCOc1ccc(-c2nc(CC(=O)NNc3c(F)cccc3Cl)cs2)cc1	770196497	GJKNGMSMOBJRFB-UHFFFAOYSA-N	405.882	4.687	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1	771697663	RJANZAOZOIQSRS-UHFFFAOYSA-N	406.486	4.864	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1C(F)(F)F)C(=O)Nc1nc(-c2ccncc2)cs1	771836270	CAMXMCFFQZWTGP-NTUHNPAUSA-N	418.375	4.909	50	20	HJGD	
Cc1ccc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)s1	772891963	YNLUGIPLUSSJDV-UHFFFAOYSA-N	400.394	4.969	50	20	HJGD	
COc1cc(/C=C(/C(=O)NNc2ccc(Cl)c(F)c2)c2ccccc2)ccc1O	773464605	BPXDQTRQKHNLDN-GZTJUZNOSA-N	412.848	4.877	50	20	HJGD	
O=C(CCc1nc2cc(Cl)ccc2s1)NNc1ncc(Cl)cc1Cl	775263736	HWHZBJHMGPOXLM-UHFFFAOYSA-N	401.706	4.727	50	20	HJGD	
O=C(CCCCC(=O)c1ccc(F)cc1)NNc1ccc(Br)cc1F	779009856	COJAKRGEVKBISA-UHFFFAOYSA-N	411.246	4.614	50	20	HJGD	
Cc1cc(NNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)ccc1Br	779012765	VUMNGFKUPACGNW-UHFFFAOYSA-N	411.712	4.619	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)c(C)n1-c1ccc(Cl)cc1	779226582	XUSHKJATUFZTGV-UHFFFAOYSA-N	414.840	4.980	50	20	HJGD	
Cc1cc(OC(C)C)ccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782821530	MAADZTAPQGDMOU-UHFFFAOYSA-N	403.482	4.590	50	20	HJGD	
CCCOc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)cccc1OCC	787151244	LBCCOGRUTPQWNJ-FABDANFUSA-N	408.498	4.667	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H]2C[C@@H](OCc3ccccc3)C2)c1C	802861379	HEQZYIUGNPRGOB-ROVZAYPZSA-N	422.525	4.510	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	805474990	JCNKQMKWCPTMBH-UHFFFAOYSA-N	419.432	4.643	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)c2ccccc2F)cc1	810243721	KQZVXPTXSZEQPB-ZHZULCJRSA-N	415.420	4.981	50	20	HJGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)c1ccc(F)cc1Br	814218556	OTKNAYPMHRJJRX-XMAVDCBISA-N	405.267	4.554	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)NNc3cccc(Cl)n3)ccc21	814634555	XZOVOTPPTIGODS-UHFFFAOYSA-N	417.897	4.571	50	20	HJGD	
C[C@H]1C(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC[C@@H](C(=O)O)C1(C)C	814770041	NXXGKAOIXJLOSE-WFASDCNBSA-N	402.491	4.797	50	20	HJGD	
CCOc1ccc(NNC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1	817915278	HJBRDTBEIQMBNF-UHFFFAOYSA-N	420.494	4.671	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N(C)C2CCN(C(C)C)CC2)c1C	904219593	QCTBUKOHUUTDAS-XQNSMLJCSA-N	418.585	4.641	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3cccnc3)c2C)cc1	912691371	DIWUVRSXIYSNOW-BKUYFWCQSA-N	401.466	4.538	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2c(Cl)nc3ccccn23)c(C)n1CC(F)(F)F	915990279	YQNHUCZKHFKDMH-JYRVWZFOSA-N	406.795	4.758	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)COc3ccccc3F)s2)cc1	916300730	VWSHBSDQHPFOET-UHFFFAOYSA-N	418.881	4.517	50	20	HJGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(C)s1	916479535	AFFDJLSUEMOZDD-INIZCTEOSA-N	423.538	4.502	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1C	916503605	DUKLSKOEKQQWTQ-VCHYOVAHSA-N	420.340	4.624	50	20	HJGD	
O=P(CCN(Cc1ccc(F)cc1F)C1CC1)(c1ccccc1)c1ccccc1	917149436	IOLGZEQFYJCOEL-UHFFFAOYSA-N	411.432	4.943	50	20	HJGD	
O=S(=O)(Nc1ccccc1COc1ccccc1)c1ccc(CCCl)cc1	917762680	RSQOPYSCVSKGJE-UHFFFAOYSA-N	401.915	4.848	50	20	HJGD	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)s1	919858716	RPCCFXBSQOWZFT-HNMKQIAWSA-N	415.522	4.618	50	20	HJGD	
C[C@H](CC1CCCCC1)C(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	1318501465	MCDZBXNFXKXGJY-CYBMUJFWSA-N	407.440	4.607	50	20	HJGD	
C[C@@H](CBr)C(=O)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1	1786070402	QLIJYNSGFKXAPG-HNNXBMFYSA-N	421.379	4.732	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c(C)cccc34)cc2)CCC1	1790967636	OJBOUFFVJYYSGV-GOSISDBHSA-N	424.932	4.636	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](Cl)CCC)CC1	1824615915	JINFYMOLOFOGFH-QHAWAJNXSA-N	409.014	4.782	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2F)CC1	1824728124	XGAWCLDXJLKGIY-RDJZCZTQSA-N	414.974	4.528	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(C)c2C)CC1	1826183321	HUGFQGCKZNHDRG-RTBURBONSA-N	411.011	4.616	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(C(F)(F)F)cc2)c1C	16816092	NESQFHSMKHTRMX-RPJLVFAOSA-N	420.431	4.982	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2Cl)c(C)n1C[C@H]1CCCO1	24003786	YPXBGDPQJFGAGL-GUPLILCFSA-N	411.933	4.722	50	20	HJGD	
CC(C)(C(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1ccc(Cl)cc1	71970850	QEEPBWVRBXINIH-UHFFFAOYSA-N	422.912	4.511	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccncc1)C(=O)Nc1ccc(F)cc1	213494954	QJDSZUYSALQTSA-JXAWBTAJSA-N	409.424	4.619	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)N1CCC[C@@H]1C1CCC1	728406229	GZKLEWANLQAOAF-CXAGYDPISA-N	420.884	4.636	50	20	HJGD	
CC(=NNC(=O)CCc1ccccc1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1	729935393	WKAVUCWBGWRNEZ-UHFFFAOYSA-N	409.467	4.502	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	730457841	RJCIMSNMJIXARG-OALUTQOASA-N	413.304	4.640	50	20	HJGD	
Cc1nc2c(s1)C(=NNC(=O)c1cc3c(C)nn(-c4ccccc4)c3s1)CCC2	730945540	MASLPEFGUAXRAA-UHFFFAOYSA-N	421.551	4.631	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1c(C)nn(Cc2ccccc2Cl)c1C)c1ccccc1	731932322	HJTOXNSPJPSVCV-FQEVSTJZSA-N	408.933	4.846	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)[C@@H](Sc1ccccc1F)c1ccccc1	733808765	ILBQKOFYWCAUFY-NRFANRHFSA-N	404.470	4.746	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)c(OCC)c2)c1C	733937829	VWTPJUHRFVOAHE-KGENOOAVSA-N	409.530	4.536	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cccc(Nc3ccccc3)c2)c1C	735685932	FQJUIDSPCQSSJD-UHFFFAOYSA-N	410.481	4.656	50	20	HJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(Br)c(OC(F)F)c(OC)c1	741469731	MJWZQCUBGHNYIV-OGGBREFQSA-N	402.235	4.971	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(C)c(C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F	741474855	SJLNIXHQJXMXDE-QCDXTXTGSA-N	413.377	4.682	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccnc(Oc2ccccc2)c1	741978219	CATXJXQRKDTQPJ-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2Cl)cc1	742349712	IHZCITMHCRLOAL-MDWZMJQESA-N	418.678	4.607	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(C)c2O)c1C	747933785	CSDQECFTLSNEIO-XPGOGFAUSA-N	401.894	4.525	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1csc(-c2cccc([N+](=O)[O-])c2)n1	748012701	PNDALKUWPZESMD-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2ccc(Cl)cc2Cl)nn1-c1ccccc1F	748018816	NLXXWOSHTXTNIT-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(CCCCl)cc1	751266341	BJAZYENAPKKHHW-UHFFFAOYSA-N	410.269	4.914	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	752407537	QLPBDCABKWDGHD-CFQZNGRESA-N	418.493	4.820	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cc(-c2ccccn2)ccc1Cl	755276644	YHGINUVLSVFAHT-UHFFFAOYSA-N	401.857	4.616	50	20	HJGD	
Cc1cc(C)cc(COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1	761417615	JUSRHVZQQBEENO-HMAPJEAMSA-N	410.477	4.731	50	20	HJGD	
O=C(NN[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1cc2ccccc2o1	762639852	HGEVMQJYLFAEDD-NRFANRHFSA-N	410.433	4.507	50	20	HJGD	
C[C@H](O)c1ccc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762655980	BINSNCZQNJOXQB-NSHDSACASA-N	424.391	4.652	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1ccc(Br)c(Cl)c1F	768092951	BFNSLCUNMXTTIW-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc(CSC2CCOCC2)c1	770032019	HLSZXFGXEFPYKZ-UHFFFAOYSA-N	414.556	4.857	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773146309	WLNQQRNUNGAWKY-VGOFMYFVSA-N	403.310	4.959	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1csc(-c2c(F)cccc2F)n1	775269784	QVWAIQDDVPCDLG-UHFFFAOYSA-N	401.225	4.547	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1	777481995	QOTSTYGSWQDWAS-UHFFFAOYSA-N	400.360	4.680	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccccc2OC(F)(F)F)cc1OC	779201322	OAJMYRGGQYYKCG-UHFFFAOYSA-N	418.799	4.793	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1ccco1	779645644	YMPLWIYTDFDIOS-SFHVURJKSA-N	421.375	4.603	50	20	HJGD	
CC1(C)C[C@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C(C)(C)O1	782984719	SCGWGMQDGWPGPF-LBPRGKRZSA-N	409.442	4.968	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCC#N)cc1)c1ccc(Cl)cc1Cl	787146561	ZMNNLTGTQKRDRZ-OJNRTJSBSA-N	400.265	4.680	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(Cc3ccco3)c2C)cc1	787150891	HWHWWPLTHIYLHZ-OJSPLJLUSA-N	403.482	4.539	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2N2CCCCC2)c1C	789971139	RQQMUNLOPLHVFM-MLPWYGTASA-N	420.557	4.848	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ncnn2C(C)C)c(C)n1-c1ccc(Cl)cc1	791042745	LLJLNKUJJBQMQD-VCHYOVAHSA-N	423.904	4.570	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCO2)C(=O)c1ccc2ncccc2c1	794882358	GJWCBTSZWNNOLU-LZYBPNLTSA-N	421.250	4.558	50	20	HJGD	
Cc1nsc(C)c1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	797056227	BCZCZHLEPWBVRK-UHFFFAOYSA-N	422.422	4.536	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccsc1	802394195	JTXXZLWAOHXQOH-OAHLLOKOSA-N	416.506	4.669	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H](Sc1ccccc1F)c1ccccc1	803432342	AWVFWNNKUANXMA-OAQYLSRUSA-N	419.481	4.644	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)C1(c2ccccc2)CCC1	804211718	WUZDFJMDKMYPEJ-UHFFFAOYSA-N	412.415	4.727	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1cccc(-c2ncc3n2CCCC3)c1	812967497	IGPCQUKJVMROKS-UHFFFAOYSA-N	417.300	4.737	50	20	HJGD	
CCc1sc(C(=O)NNc2cccc(Br)c2)cc1Br	815850800	CTENXTHVBPBPAE-UHFFFAOYSA-N	404.127	4.592	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1csc(-c2ccc(Cl)cc2)c1	816157130	WULLOOXQLXZJGG-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817013908	JBEPPWSVFLKFIH-UHFFFAOYSA-N	407.270	4.698	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)c1ccc2c(c1)OCO2	915990489	UHWQSSRJTQPGQN-DHDCSXOGSA-N	404.403	4.842	50	20	HJGD	
CCCCc1ccc(C(C)=NNC(=O)c2ccc(CSc3nncn3C)cc2)cc1	916294571	FDWFSKACVCAXGU-UHFFFAOYSA-N	421.570	4.604	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COc1ccc(CCC(C)=O)cc1	916600208	AUSXNIKTOLWQCX-UHFFFAOYSA-N	410.539	4.924	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1C	918183872	VRWHISBNRPMILK-YBFXNURJSA-N	419.447	4.679	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)CCc2ccccc2)c(C)n1C[C@@H]1CCCO1	918952805	KVDQAZCQHODZIK-NOOPKKJOSA-N	406.526	4.755	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)N(CC)CC)c1C	920013097	LFBGERPXLAETAX-HMMYKYKNSA-N	406.530	4.543	50	20	HJGD	
COc1ccc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	920169835	LXDXVGXXOSXPBA-QMTMNTDASA-N	408.498	4.504	50	20	HJGD	
Nc1cnnc(NNC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c1Cl	1319221114	ZXEWPPINPOOLBL-UHFFFAOYSA-N	424.675	4.568	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)nn1	1328713925	AQSIEMLLSWAZGZ-UHFFFAOYSA-N	415.472	4.885	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cccnc3Cl)cc2)CCC1	1785752507	HQQCBJWFLGRULA-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1	1786244710	JTKYTIDPKYFJNU-QGZVFWFLSA-N	412.908	4.963	50	20	HJGD	
CC(C)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1	1799324811	NMRLMLXPGZLGAV-QDMKHBRRSA-N	423.340	4.603	50	20	HJGD	
Cc1ccc2nc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)sc2c1	14739720	VTDFQDZTOJJLGO-WAGPWIPHSA-N	420.538	4.748	50	20	HJGD	
O=C(NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1c[nH]c2ccccc12	15471800	YKNXFBPQFCZDHF-HSZRJFAPSA-N	408.461	4.508	50	20	HJGD	
C/C=C/C=C\C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	213206299	AZGGKIBKWLBUJG-CVBFYWNISA-N	412.489	4.826	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1	727263724	GRWAAXFKUWUKEH-MHWRWJLKSA-N	405.479	4.722	50	20	HJGD	
C=C(C)COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1	727330612	OCOKFZPCRIUJRX-MVQVQHCTSA-N	419.525	4.785	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCc3c(Br)cccc32)cc1	727740701	ISLKBNAQIZZUEX-IURSYISVSA-N	411.299	4.558	50	20	HJGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	727865763	ZZOLHOVNHIBQSP-UHFFFAOYSA-N	414.383	4.631	50	20	HJGD	
Cc1ccccc1CCC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	728962734	ZTAZLDLFWRKYMN-UHFFFAOYSA-N	415.868	4.618	50	20	HJGD	
CCSc1ccc([C@@H](C)NC(=O)NNC(=O)Cc2cccc3ccccc23)cc1	729054239	NQDPHPQEMYNFCP-MRXNPFEDSA-N	407.539	4.586	50	20	HJGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)cc1	730150843	DTJULZIINCXDKK-WJDWOHSUSA-N	406.873	4.864	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cc(F)c(Cl)cc1Cl	732975136	AXNSVGXUTOOKCJ-UHFFFAOYSA-N	401.612	4.593	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)c1C	733248786	MFVZTEPONUDCFB-NPCNDUQZSA-N	419.569	4.761	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NN=C2CCC(O)(C(F)(F)F)CC2)cc1	734747098	OUTOIDRJILKORL-UHFFFAOYSA-N	400.441	4.599	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1c(F)cccc1F	743546592	GOPAWFPZVBNOKV-AWEZNQCLSA-N	410.424	4.729	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cncc(-c2ccc(Cl)cc2)c1	748020331	UKCZLYMWGDZIEV-UHFFFAOYSA-N	402.679	4.921	50	20	HJGD	
Cc1ccccc1-c1nc(C(=O)NNc2ccc(Br)cc2F)cs1	748186589	AZBAAJJMECEWPE-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
Cc1ccccc1[C@@H]1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)C1	750768232	DZEKSWLZBYTMCY-FYBUBAPCSA-N	417.553	4.515	50	20	HJGD	
Cc1noc(C)c1[C@H](C)CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	752293635	LNYQMRATIQDUDP-XLTHYULKSA-N	420.488	4.665	50	20	HJGD	
CCSc1ccc(Cl)cc1C(=O)NNc1nc(-c2ccccn2)nc(C)c1C	752805495	NKMYWVLCGDLAQB-UHFFFAOYSA-N	413.934	4.678	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc3cc(Br)ccc3c2)cc1Cl	753303609	YCWIFRBEQVELMI-UHFFFAOYSA-N	400.663	4.884	50	20	HJGD	
Cc1cccc(-c2n[nH]cc2C=NNC(=O)c2sc(-c3ccccc3)nc2C)c1	755567322	VCJIDVGXVZUMEC-UHFFFAOYSA-N	401.495	4.581	50	20	HJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)NNC(=O)c1ccc(Cl)cc1F	756855752	MMTXIDYVAISRKE-UHFFFAOYSA-N	407.873	4.569	50	20	HJGD	
CCCOc1cc(F)ccc1NC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	760194448	OWQKMZJJRGLUPM-ZVCOJXFSSA-N	413.493	4.786	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	768903973	QCMKFDOQVNSIDN-WBVHZDCISA-N	413.871	4.824	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(c2ccccn2)C2CCCC2)c1C	769723722	NULWWMLBDMMXLU-SXZORUHJSA-N	406.530	4.590	50	20	HJGD	
Cc1ccc([C@@H](O)CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	770404581	XTJKOVGXEOGPRY-HNNXBMFYSA-N	417.421	4.664	50	20	HJGD	
NC(=O)c1ccccc1Oc1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1	771164911	DNKCHSWOGJEMLJ-UHFFFAOYSA-N	414.824	4.519	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(C(F)(F)F)cn2)cnn1-c1cccc(Cl)c1	775256782	PAVLXLULMPFQCG-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc4ccccc4n3)c(F)c2)c(F)c1	777466926	OQGSCNPQNFZLLU-UHFFFAOYSA-N	405.404	4.946	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@H](C2CCOCC2)C1	778021809	GKOGBSOAIIUNPM-CYBMUJFWSA-N	421.453	4.781	50	20	HJGD	
COc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1OC1CCCC1	779209793	RZVNIDMXZNAADI-UHFFFAOYSA-N	410.392	4.672	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)cc(C#N)n1C	779280070	BSJFRDWUJHVSEK-SXGWCWSVSA-N	417.856	4.592	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1coc(-c2ccc(Br)cc2)n1	785377319	SFLSAIXBSXYOLA-MHWRWJLKSA-N	409.239	4.754	50	20	HJGD	
Cc1cc2c(Br)ccc(C(=O)NNc3ncccc3C(F)(F)F)c2o1	785978199	CPEWXLIWJYQICB-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1cccc(Br)c1	793704719	JWFVHKLUKAYJSK-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl	794870681	YKPQDXNUTYSJPT-ZRDIBKRKSA-N	401.228	4.864	50	20	HJGD	
O=S(=O)(CCCCCl)N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl	799856294	YZGYOTOPTIDPCV-ZDUSSCGKSA-N	418.173	4.518	50	20	HJGD	
CC(C)NC(=O)OC1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	806422645	YLPIDMRNIDSINE-UHFFFAOYSA-N	403.373	4.695	50	20	HJGD	
N#Cc1cc(NC(=O)NNc2nccnc2C2CCC2)ccc1Oc1ccccc1	806440976	ISHVLAKUURTDTE-UHFFFAOYSA-N	400.442	4.557	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OCC(F)F	809145787	GCBDKHADVHQKHL-FRKPEAEDSA-N	416.380	4.654	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)C2(Cc3cccs3)CCCCC2)cc1	810022323	IRHJUDXNMJEHTH-UHFFFAOYSA-N	417.600	4.658	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1ccc(Oc2ccc(Cl)cc2)cc1	810327580	OTPNMUHCCPSPFJ-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
CC(C)(C(=O)NNc1cccc(F)c1F)c1csc(-c2cc(F)ccc2F)n1	810446777	FGOFBYNZSGDYHW-UHFFFAOYSA-N	409.408	4.787	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1	812244829	IYQLJXBMEPQONC-QARUFBMTSA-N	417.265	4.926	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2cc(-c3ccccn3)ccc2Cl)cc1C	812716731	QEFWFAWOAFCXCZ-UHFFFAOYSA-N	409.873	4.644	50	20	HJGD	
CCc1sc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1Br	816570191	LWOKAOYDNBRASK-UHFFFAOYSA-N	418.238	4.720	50	20	HJGD	
CN(C)Cc1ccsc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015253	UCNRPRHZVVXGAC-UHFFFAOYSA-N	411.371	4.604	50	20	HJGD	
C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)C(C#N)=C1Nc2ccccc2N1	825700261	YJWZAWPMXLLFIO-GFCCVEGCSA-N	406.442	4.803	50	20	HJGD	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c(OC)c1	916141020	VCFMFHQGLQAUIF-YRNVUSSQSA-N	407.253	4.565	50	20	HJGD	
COc1ccc2ccccc2c1C=NNC(=O)c1ccc(COc2ccccc2)o1	916359666	IVYTZWZDDJHXGI-UHFFFAOYSA-N	400.434	4.784	50	20	HJGD	
Cc1c([C@H](C)NC(=O)NNC(=O)Cc2cccc3ccccc23)oc2ccccc12	918081726	FELCAMHXAWTRTN-INIZCTEOSA-N	401.466	4.529	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@H](c1ccc(F)cc1)C1CCCC1	918780120	QWSPIPICVMBCDJ-QFIPXVFZSA-N	405.473	4.854	50	20	HJGD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	919760526	PUUZIUXNYHNCSQ-KOWBDXASSA-N	420.557	4.835	50	20	HJGD	
C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788586570	BWZOGMWWOGHEBL-HHNLSAEISA-N	404.869	4.660	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)c3ccccc3)cc2)CCC1	1790212952	KENZDBPGZVQOQE-GOSISDBHSA-N	415.331	4.608	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](OC)c3ccccc3)CCC2)cc1	1790485955	OZMAFQKUGAIAGF-UXHICEINSA-N	414.933	4.526	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1	1806163106	IZTRHUSVNDIXAB-SFHVURJKSA-N	411.373	4.592	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2C)n[nH]1	1814575101	CLJPHUZYVJUDEV-SJLPKXTDSA-N	420.916	4.571	50	20	HJGD	
CCc1cccc(C)c1NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	22678698	YPFYNOQOFGQWRU-WSDLNYQXSA-N	421.541	4.721	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CCc2ccc3ccccc3c2)cc1	727494034	AASXZVBIESAQSB-UHFFFAOYSA-N	407.539	4.577	50	20	HJGD	
CC(C)[C@@H](CC(=O)NNC(=S)Nc1cccc(Br)c1)c1ccccc1	728614099	OQXWJUSECNZECV-QGZVFWFLSA-N	420.376	4.597	50	20	HJGD	
CC(C)(C(=O)NNC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1	731161210	PVVXDQDZEQRFGU-UHFFFAOYSA-N	405.523	4.774	50	20	HJGD	
CN(C)c1ccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)ccc2Cl)cc1	732306901	CVGZIXATKDNZCE-UHFFFAOYSA-N	424.957	4.704	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNC(=O)COc3ccccc3F)sc2c1	732653590	BZBGJYYZODXLON-UHFFFAOYSA-N	420.893	4.657	50	20	HJGD	
Cc1c(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)oc2ccc(Cl)cc12	732977484	KJVFWCWZNGHJBM-UHFFFAOYSA-N	403.225	4.855	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2sc(C)cc2OC(F)F)cc1	734026468	SFIPZRHLVPMEBO-UHFFFAOYSA-N	413.515	4.632	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(O)c(Cl)c1	734093972	BULZQTIPZXXYKU-UHFFFAOYSA-N	422.897	4.724	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1nccc2sccc12	734249537	FNUOMFUPGALMPQ-UHFFFAOYSA-N	400.916	4.759	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c1C	734257225	KPKWZCXPWDAKSN-SFTDATJTSA-N	409.493	4.555	50	20	HJGD	
O=C(NNc1nccnc1Cl)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1	734260810	PUYJGHFTJDGTJQ-OAHLLOKOSA-N	423.300	4.899	50	20	HJGD	
Cc1ccc(C(=O)NNC(=S)Nc2ccccc2C(C)C)cc1Oc1ccncc1	734548484	GLNRBLCEWHOOQZ-UHFFFAOYSA-N	420.538	4.937	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3ncccc3C(F)(F)F)ccc2n1-c1ccccc1	740091657	PBIJHZHJYSEYGV-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
C[C@@H](CCO)SCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	741733160	RFMKUQIYIODCKX-HNNXBMFYSA-N	410.461	4.577	50	20	HJGD	
O=C(NN=Cc1ccc(OCC(F)F)cc1)c1ccc(Br)cc1Cl	741809241	BMVXLHRLYXOZLS-UHFFFAOYSA-N	417.637	4.510	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	742874625	VKBKKYYJFJWWRX-SFHVURJKSA-N	410.561	4.679	50	20	HJGD	
CC(C)N1CC[C@@H](CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	743359865	YLQIBOYGYUEARY-WFASDCNBSA-N	409.905	4.758	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CC(c3ccccc3C)C2)cc(OCC)c1OCC	743421367	ZRIHPTVTYBFGRH-UHFFFAOYSA-N	410.514	4.855	50	20	HJGD	
CC1(C)C(=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)[C@@H]2CCCO[C@@H]21	743424464	KVOSBZQIVXZJMY-FPOVZHCZSA-N	412.917	4.840	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](C)CC(C)(C)c2ccccc2)c(Cl)c1	743569136	MQUAXQVBBNKZDA-OAHLLOKOSA-N	402.926	4.741	50	20	HJGD	
Cc1ccc(CN(Cc2ccco2)C(=O)NNC(=O)c2cccc3ccccc23)s1	743630173	NWIHSFTWESIRQL-UHFFFAOYSA-N	419.506	4.860	50	20	HJGD	
C[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1	745090989	NVNCDSPLIINLNO-SQFNAUOLSA-N	421.932	4.673	50	20	HJGD	
O=Cc1ccc(OCc2occc2C(=O)NNc2ccc(Cl)cc2Cl)cc1	748019113	WTUCRYOYKNXMAY-UHFFFAOYSA-N	405.237	4.735	50	20	HJGD	
Cc1c(NNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cccc1[N+](=O)[O-]	748673289	GAHGHRRCYKNHBJ-UHFFFAOYSA-N	424.505	4.592	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1Oc1ccncc1	748695685	PUYGWCJSFIONKT-UHFFFAOYSA-N	417.387	4.880	50	20	HJGD	
O=C(CCNC(=O)C1CCCCC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	751072523	NIDGZUAORCCJAH-KRWDZBQOSA-N	422.900	4.931	50	20	HJGD	
CC[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@@H](c1ccc(C)cc1)n1cncn1	756156596	KSOWPGODFKJDRO-IRFCIJBXSA-N	418.632	4.785	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(C)c1	756281601	ZLRIJOLJUTVCEV-HNNXBMFYSA-N	410.543	4.762	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C[S@](C)=O)c(C)n1CCC(C)C	762506659	HDNSEHBQYFBSEY-BCMZQPROSA-N	411.571	4.575	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(-n2ncc3ccccc32)cc1Cl	768099821	ZTKJDNZHGRCQBA-UHFFFAOYSA-N	416.790	4.853	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(c2ccccn2)C2CCCC2)c(C)n1C[C@@H]1CCCO1	769723140	JKLUTSAWJRVVCW-QFVBLGFASA-N	418.541	4.562	50	20	HJGD	
CCn1c2ccccc2c2cc(NC(=O)C(=O)NNc3cccc(Cl)c3)ccc21	773729072	IZFRILZRQAUGKS-UHFFFAOYSA-N	406.873	4.550	50	20	HJGD	
CC(C)n1c([C@@H]2CCCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)C2)nc2ccccc21	776654759	TUCRCBFTBSZVDB-HZQOKBKYSA-N	414.509	4.636	50	20	HJGD	
CC(C)(C)c1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)cc(C(C)(C)C)c1O	780994321	COYOZHREYMCQNI-UHFFFAOYSA-N	410.440	4.553	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1	785106880	PMCYQFLCFMHVNG-RVDMUPIBSA-N	403.438	4.919	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1	786043920	BSCXOZYNLMGPRW-XKZIYDEJSA-N	405.523	4.514	50	20	HJGD	
CCCN(N=Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C(=O)OC(C)(C)C	794995353	HHGMQBIYVYFNOV-UHFFFAOYSA-N	411.502	4.929	50	20	HJGD	
O=C(NC[C@H]1COc2ccccc21)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	808966726	UFOIYYJRYNHRHM-NSHDSACASA-N	422.375	4.575	50	20	HJGD	
CC(=NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc2c(c1)CCC(=O)N2	915954552	ZJRNWDVVDDSRRF-UHFFFAOYSA-N	407.470	4.593	50	20	HJGD	
O=P(CCN1CCC(CN2CCCCCC2)CC1)(c1ccccc1)c1ccccc1	917106551	WACGOKPJSXKFBW-UHFFFAOYSA-N	424.569	4.589	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1sc(-c2cccc(Cl)c2)nc1C	918691732	PTOZQQROKATYAB-UHFFFAOYSA-N	400.891	4.547	50	20	HJGD	
COc1ccc(CCC(=O)NN=Cc2sc(Nc3ccccc3)nc2Cl)cc1	920378143	XAIQTVVBIYDOAB-UHFFFAOYSA-N	414.918	4.632	50	20	HJGD	
Cc1cc(Cl)cc(C)c1NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	1335648250	WVTHXAWJRBYJSL-UHFFFAOYSA-N	422.916	4.566	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1	1791360213	SIVCKXIQHSYVQC-MRXNPFEDSA-N	409.368	4.730	50	20	HJGD	
CC(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)cc1	1827610986	KVEBDMKCLAKCSR-WOJBJXKFSA-N	408.945	4.578	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1	1828189455	UTGSTEWRVUZKLY-RBUKOAKNSA-N	416.949	4.684	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2)cc1	51102948	QLDLAQOPAVXPJC-ZHZULCJRSA-N	409.445	4.993	50	20	HJGD	
COc1ccc(Cl)cc1N1CC[C@H](NC(=O)CCCC[C@H]2CCSS2)C1	247921460	XTFKLMPXNPUBJN-HOTGVXAUSA-N	415.024	4.758	50	20	HJGD	
CCNC(=O)NNC(=O)c1sc2ccccc2c1CSc1ccccc1Cl	726529090	IBTLKKXGKDTYAC-UHFFFAOYSA-N	419.959	4.811	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)c2ccc(C)cc2)c1C	728484133	ITUAAOZJYOTYBW-UUMRFZBWSA-N	407.558	4.622	50	20	HJGD	
Cc1ccc(S[C@H](C(=O)NNC(=O)c2ccccc2F)c2ccccc2)c(C)c1	729944665	VMWGMJMHGQRVQO-NRFANRHFSA-N	408.498	4.737	50	20	HJGD	
Cc1nc(C)c(CCNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)s1	731021578	JDFWAMJYEXAEJX-UNOMPAQXSA-N	422.529	4.572	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	733763627	DJWQTTJOGUTELP-AXLWCPOOSA-N	406.461	4.622	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)c2cc(Cl)ccc2OC)c1C	733938128	DXGIZWITWRSYGV-YQYFLZKSSA-N	415.921	4.544	50	20	HJGD	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NNC(=O)C(C)(C)c1ccccc1	736660493	HLSHZKTZEMOEIN-HXUWFJFHSA-N	421.566	4.649	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1	746972113	HSXCBIQNJXNMLR-QGZVFWFLSA-N	419.312	4.960	50	20	HJGD	
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NNc3ccc(Cl)cc3Cl)C2)c1	748007857	GXKVQUXPMUWLNP-CQSZACIVSA-N	421.328	4.689	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)c1	748050051	XAVDPBMNJOMBIT-UHFFFAOYSA-N	415.840	4.686	50	20	HJGD	
O=C(NNc1ccccc1F)c1cccnc1Sc1ccc(Br)cc1	748050226	PMMQHIGMOIVFGX-UHFFFAOYSA-N	418.291	4.891	50	20	HJGD	
CC(C)(C)c1noc(-c2ccccc2C(=O)NNc2ccccc2Br)n1	748060272	PAJZHIRPICKSEY-UHFFFAOYSA-N	415.291	4.554	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNc3ccc(Br)cc3C)c2)n1	748737049	OKWNFOISUQQFEW-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)C(c1ccccc1)c1ccccc1	749555543	ZPQOIHNOFPHGFF-QGZVFWFLSA-N	413.477	4.597	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(-c2ccccc2)nc1O	753168074	GOBHABXAOFPGTA-UHFFFAOYSA-N	412.287	4.536	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(OCc2ccncc2)cc1	754146814	FBKDGOVSHNNWGX-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cccnc1SCC1CCCCC1	754468897	ABPQECBYWYXDBN-UHFFFAOYSA-N	419.554	4.968	50	20	HJGD	
CC(C)c1cnc(NC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)s1	755390776	AJMXEEVPLBVIGR-UHFFFAOYSA-N	421.482	4.541	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2ccccn2)cc1	756568123	BNGWKMNVHHQLLS-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cc3ccccc3o2)c(C)n1C[C@H]1CCCO1	758683951	INNDLMDVFWBMCU-TUJQNWBVSA-N	404.466	4.681	50	20	HJGD	
CCCn1nc(C)c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1C	759803049	KGLJOWVJYLIHBJ-UHFFFAOYSA-N	420.138	4.736	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(C)=O)ccc2Cl)c1C	762343700	SSWFDHJCZIXEEO-MRGVZLDZSA-N	413.905	4.714	50	20	HJGD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762638958	FURGIRSMZNSLMM-UHFFFAOYSA-N	423.407	4.665	50	20	HJGD	
O=C(NCCCCN1CCC[C@@H]1CO)Nc1cccc(S(F)(F)(F)(F)F)c1	762966364	PRKIJCUVAAAVBF-CQSZACIVSA-N	417.444	4.702	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)[C@@H](Sc1ccc(F)cc1)c1ccccc1	766675742	VLVPCYUXBRDTJR-KRWDZBQOSA-N	410.499	4.807	50	20	HJGD	
O=C(NNc1ncccc1Cl)Nc1ncccc1OCc1cccc(Cl)c1	771821524	HLOXCUZHCFRWEY-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	771842306	RAALYTNCDSCGHY-QPEQYQDCSA-N	408.351	4.756	50	20	HJGD	
C[C@@H](C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1	774341401	DAXVJHLQCDUVNG-LLVKDONJSA-N	415.405	4.953	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3ccc(C(F)(F)F)cn3)c2c1	775261553	JZDOQVHJTHNWQD-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccc(CCC(=O)N2CCCC2)cc1	775557780	KKATXTJWNYMJGK-UHFFFAOYSA-N	421.328	4.697	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccccc2F)o1	779142880	LYAGSEDDRPVXEI-UHFFFAOYSA-N	420.194	4.513	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1	780809168	OSMWNKSVQIFFSP-UHFFFAOYSA-N	422.550	4.715	50	20	HJGD	
CC(F)(F)c1cccc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	782123686	INSQDTPLTQUWAS-UHFFFAOYSA-N	422.646	4.840	50	20	HJGD	
CO[C@H](C)c1nc(COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cs1	782427824	RFBBJTGXLLYTDM-OXNWSPOFSA-N	415.559	4.965	50	20	HJGD	
O=S(=O)(Nc1cnn(CC2CC2)c1)c1ccc(S(F)(F)(F)(F)F)cc1	782913831	VOCAITGYPOVDDN-UHFFFAOYSA-N	403.398	4.751	50	20	HJGD	
CCOc1ccc(-c2nc(COC(=O)/C(C#N)=C/c3ccccc3)cs2)cc1OC	785345639	RIYBEYVLZUJXHQ-WOJGMQOQSA-N	420.490	4.868	50	20	HJGD	
CCOc1cccc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)c1OC(F)F	786108184	WZJWGCBMKZAQRJ-XNTDXEJSSA-N	406.816	4.563	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	791149572	HQKJDKAOMVPBAY-STQMWFEESA-N	412.446	4.537	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2CC)c1C	801071694	RJSRZUHMPVKIGP-STZFKDTASA-N	407.514	4.556	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C\c1ccc(OCCN(C)C)cc1	808079194	TWOPQBRLKVZKSC-XFXZXTDPSA-N	423.582	4.977	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1c(F)cc(C(F)(F)F)cc1F	811140314	WIVCDFZPAGGJMY-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
C[C@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1ccc(OCCCCl)cc1	811497896	XRHAGAOBZHEXCY-QGZVFWFLSA-N	402.922	4.844	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(C(C)C)nc2C)c1C	815170008	MSXFJNZVUCVJEA-CBVHTYNASA-N	409.530	4.790	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1	816163848	FFFLRNLGBLWACE-UHFFFAOYSA-N	405.445	4.957	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc(OCc2ccncc2)cc1	915943556	HLYYLZVMXDJELW-UHFFFAOYSA-N	411.914	4.556	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3oc(C(=O)OC)cc3c2)c1C	916078706	OVDWEASQFCYNLH-ZDLGFXPLSA-N	405.454	4.593	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(C)CCc3ccco3)cc2)cc1	917025099	QPZGDDIUGFRYQA-UHFFFAOYSA-N	406.482	4.996	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCN(C4CCCC4)CC3)cc12	917532194	NJHWPQXSCLODIR-UHFFFAOYSA-N	421.570	4.520	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cc(Cl)cc3cccnc23)cc1	918679609	CPAJHODTYQDIPD-UHFFFAOYSA-N	412.946	4.862	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)/C=C/c2cc(Cl)cc(Cl)c2)cc1	1352253765	UEHJARWDIDSJCS-FPYGCLRLSA-N	424.353	4.812	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)ccc3F)CCC2)cc1	1790487918	FVFYFFVOQTZIPI-SFHVURJKSA-N	418.896	4.599	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccccc1C1CC1	1792085435	PNYRDFDMYGOFKL-IBGZPJMESA-N	400.881	4.846	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)C1	1806153024	NDDVECAYWUZHNV-GOSISDBHSA-N	422.013	4.565	50	20	HJGD	
Cc1ccccc1-c1nnc(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)o1	5435160	QHAJGSMDXCJJHH-XMHGGMMESA-N	406.492	4.659	50	20	HJGD	
COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)CCCC[C@@H]2CCSS2)C1	110478606	XTFKLMPXNPUBJN-HZPDHXFCSA-N	415.024	4.758	50	20	HJGD	
C[C@H](NC(=S)NNC(=O)CCCc1ccccc1)c1ccc(Cl)cc1Cl	727173249	SBAFPDJFMDNEGN-ZDUSSCGKSA-N	410.370	4.573	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1	729271371	ADMNXANPLVTWPE-UHFFFAOYSA-N	408.845	4.551	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)n1	730207989	BSPXCYFRORHGPT-GOSISDBHSA-N	417.296	4.664	50	20	HJGD	
CCSc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1	733769123	YUCMAIHFMZWNFG-PRWBYUBPSA-N	409.555	4.942	50	20	HJGD	
Cc1oc(-c2ccccc2)nc1C(=O)NNc1ccc(Br)cc1Cl	733806625	GJIXEYPOXYMKLQ-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3cccc(C(F)(F)F)n3)cc2)cs1	740137978	RZYHFZCURHGKIH-UHFFFAOYSA-N	424.473	4.915	50	20	HJGD	
O=C(NC[C@H](O)c1ccsc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	740435461	XRBOXGQIMCVYOQ-WCQYABFASA-N	410.870	4.823	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(CSC3CCCC3)c2)cc(C#N)n1C	740847427	RWYUCMXEUUWEBN-YBFXNURJSA-N	404.539	4.927	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1N1CCOC1=O	746350595	JIATWTHLNUIJAA-RGVLZGJSSA-N	420.513	4.572	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	751579243	OGERRIKXSFPDDZ-LCJWNIEWSA-N	405.473	4.694	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1	760136888	JOVJFBPIXRTGHS-UHFFFAOYSA-N	412.465	4.798	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C3CCCCC3)nn2C)c1C	764162924	UXDIQLRAAUSRCA-KKJJZKEWSA-N	423.561	4.639	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)N[C@@H]1CCC(F)(F)C1	764376826	PDHRFWWIWDHVDO-SSDOTTSWSA-N	403.054	4.570	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)c1	766553516	CWGSTEPWUJENMK-QFBILLFUSA-N	405.608	4.777	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1ncnc2ccsc12	766692443	OBQNUYMBHYOPBW-UHFFFAOYSA-N	407.933	4.595	50	20	HJGD	
CCOC(=O)NNC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	770022278	CFSGFTDGPACENJ-UHFFFAOYSA-N	418.812	4.602	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	770758816	FCVAGEYYRBGEMZ-ZDUSSCGKSA-N	421.345	4.549	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NNc3ccc4ccccc4n3)c12	777463550	VDPZWWHUEBQPKU-UHFFFAOYSA-N	416.529	4.923	50	20	HJGD	
O=C(Nc1cccc(-c2nccs2)c1)C(=O)NN(c1ccccc1)c1ccccc1	782820368	CFLSXEICKUMECD-UHFFFAOYSA-N	414.490	4.618	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1cc(F)ccc1F	783466209	WQWFYNJASABWBG-UHFFFAOYSA-N	423.331	4.741	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc(Sc3ccncc3)cc2)cc1	784806020	ZRNMKWHQVDZUCU-UHFFFAOYSA-N	420.538	4.612	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1csc(Cl)c1	787991847	UDHWTOAOLMONBM-UHFFFAOYSA-N	414.261	4.705	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1	788789024	KQOBDTPZUSJVEU-UHFFFAOYSA-N	415.240	4.596	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2cnc(-c3ccco3)s2)cc1	789130021	KIRQXDOITOPMLM-LFIBNONCSA-N	415.478	4.751	50	20	HJGD	
CN(C)C(=O)Sc1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)ccc1Cl	805436234	BWPQDFWSSATGKJ-UKTHLTGXSA-N	403.866	4.798	50	20	HJGD	
COc1ccc(COCc2cccc(NC(=O)NNc3cccc(Cl)n3)c2)cc1	814624131	LWQJLWCTQKJNAH-UHFFFAOYSA-N	412.877	4.609	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4oc(O)nc4c3)c2C)cc1	913055641	STOHEWQLFVVPSE-WQRHYEAKSA-N	412.449	4.795	50	20	HJGD	
Cc1sc2nc(CC(=O)NN=C(CC(C)(C)C)c3ccccc3)nc(O)c2c1C	915947901	BKECPVRSUHXDCX-UHFFFAOYSA-N	410.543	4.513	50	20	HJGD	
N#CCCn1cc(C=NNC(=O)c2cc3c(s2)CCCCC3)c(-c2ccccc2)n1	916369825	PYSOTVIAPHCJLD-UHFFFAOYSA-N	417.538	4.558	50	20	HJGD	
Cc1ccc(NNC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1	917409566	SAUXEDGYTSAQNC-UHFFFAOYSA-N	408.346	4.628	50	20	HJGD	
O=C(CC(F)(F)F)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	917551782	XYHXBEVEIMKCKZ-UHFFFAOYSA-N	406.795	4.595	50	20	HJGD	
N#C/C(=C/c1ccc(F)c(-c2cccs2)c1)C(=O)Nc1ccc2c(c1)OCCO2	917564048	VLSTVEWRBQTESW-GDNBJRDFSA-N	406.438	4.871	50	20	HJGD	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1S[C@H](Cl)C(F)(F)F	918560297	YIULSWAEWZBYIJ-HNNXBMFYSA-N	404.797	4.995	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2oc3ccc(F)cc3c2C)c1C	920351265	XSUVXZJJRLWNOY-OMPOGXFXSA-N	423.488	4.729	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccn(C3CCCCC3)n2)c1C	1116798517	FAWJPXSEWPHMIU-UOBPLZBXSA-N	409.534	4.560	50	20	HJGD	
Cc1csc(C(=O)Nc2ccc(C3(NC(=O)CCBr)CCC3)cc2)c1	1786486511	LBBCRORYXHFUAC-UHFFFAOYSA-N	421.360	4.589	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1	1786899572	VIVACGSVXPSECK-LJQANCHMSA-N	402.922	4.754	50	20	HJGD	
C[C@@H](Sc1ccccc1)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788582167	CNECDLGMMYFSSO-RDTXWAMCSA-N	420.937	4.836	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1	1820860168	QYIIHTPEDPHYOZ-MJGOQNOKSA-N	414.937	4.610	50	20	HJGD	
N#C/C(=C\c1csc(-c2cccc(Br)c2)n1)C(=O)NC1CCCC1	14178567	OXNXVIRZVXYJMP-UKTHLTGXSA-N	402.317	4.538	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	35517031	XVKCPQHXNVWAIR-QINSGFPZSA-N	417.490	4.531	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1	214377218	UCYRBQXGPAPHTK-OWBHPGMISA-N	405.435	4.878	50	20	HJGD	
CC(=O)N1CCc2cc(NC(=O)/C(C#N)=C\c3cc(C)n(CCC(C)C)c3C)ccc21	302055588	RLQJWSPDWWMWCA-XKZIYDEJSA-N	418.541	4.606	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc3cccnc3[nH]2)c(C)n1C1CCCCC1	726386225	PBRVOLKCAOXVLF-LDADJPATSA-N	403.486	4.532	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)cc1	726435299	FRAIELAPAADANB-UHFFFAOYSA-N	422.554	4.513	50	20	HJGD	
C[C@H]1CC(=NNC(=O)c2ccc(COc3ccccc3)o2)CCN1Cc1ccccc1	734297227	VWINBTZZQRMJHF-IBGZPJMESA-N	417.509	4.629	50	20	HJGD	
O=C(NCc1ccc(-c2nc3ccccc3s2)o1)NNc1cc(F)c(F)cc1F	734656165	BNEVUSWIXXORNG-UHFFFAOYSA-N	418.400	4.800	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)NC(c1cccs1)c1cccs1	738451236	OCDHGVZCVAQIDU-UHFFFAOYSA-N	407.520	4.696	50	20	HJGD	
N#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3cc4cc(F)ccc4o3)cc2)cc1	741757064	KEAJCDYRFBJCKC-UHFFFAOYSA-N	413.408	4.640	50	20	HJGD	
CCc1nc(C)c([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)s1	741950923	PEZFJERYAUHADE-UOKXJSBISA-N	415.559	4.851	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)CC(F)F)c1C	744379127	STAPHBANLRXNCG-RYFGYPJOSA-N	415.484	4.513	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1	744501559	FVJFRICQZNWPPN-UCCMKQODSA-N	412.489	4.864	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)cs2)cc1	746893590	CNSFMQJNDXWIRD-UHFFFAOYSA-N	416.428	4.695	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cnn(-c2ccccc2)c1C1CC1	748729950	FFPQMWYIZQKSBH-UHFFFAOYSA-N	411.303	4.578	50	20	HJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	750044481	XBEHBSJRZZVTNY-PBGVMVHZSA-N	419.416	4.528	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(Cl)c1)c1cccc(C(=O)c2ccccc2)c1	753315824	KISBBJODMAKHOY-OAHLLOKOSA-N	403.869	4.689	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)s1	759291127	KRIXSDLDINQZAJ-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
O=C(NN=Cc1cccc(-c2cccnc2)c1)c1ccc(Br)cc1Cl	768485316	OWKXFZZPTRXXQW-UHFFFAOYSA-N	414.690	4.928	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1cc(F)c(F)cc1F	770083147	TUIQIQNIXZRONF-UHFFFAOYSA-N	405.445	4.952	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2c(F)cccc2Cl)c1C(F)(F)F	770196877	HHQOTEDGEVCVGD-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC	771871952	NNSTXZYLZLHFEK-UHFFFAOYSA-N	420.309	4.505	50	20	HJGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	773146360	XBCHESYMBLIUFG-KMHUVPDISA-N	421.346	4.575	50	20	HJGD	
O=C(NC[C@@H]1COC2(CCCC2)O1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	774025837	NTLDLMJQJOGTJF-RISCZKNCSA-N	424.872	4.713	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	775251015	DTDTZYUWQMCUKB-IUOZQUQDSA-N	407.358	4.692	50	20	HJGD	
C[C@@H](CCc1cccn1C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777980139	YNJMDJWHRMYJDM-LBPRGKRZSA-N	418.453	4.982	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)ccc1OC(=O)C1CC1	780526479	GKMJGDGOTWTVLX-CXUHLZMHSA-N	415.367	4.819	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1cc(F)cc(F)c1	783465958	VBTDBCVXUTVLEN-UHFFFAOYSA-N	423.331	4.741	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	790591193	JESYLQYKQAXPIK-OALUTQOASA-N	421.428	4.560	50	20	HJGD	
C[C@@]12CCN(CCP(=O)(c3ccccc3)c3ccccc3)C[C@H]1C2(Cl)Cl	792914785	XRDLZTZNLXUZMT-WOJBJXKFSA-N	408.309	4.516	50	20	HJGD	
CSc1ccccc1[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	799405275	QCPVADOGVOLHEF-FGEQZSIOSA-N	423.582	4.790	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCOC[C@H]1[C@@H]1CCCO1	806401285	JGVWZNZRWBADFR-KBPBESRZSA-N	402.385	4.756	50	20	HJGD	
N#CCc1ccc(OCc2ccccc2NC(=O)NNc2cccc(Cl)n2)cc1	814616637	AVNLXXBWZZTLNW-UHFFFAOYSA-N	407.861	4.529	50	20	HJGD	
Cc1ccc(NNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1	912596915	ZRFNVPMQEZLFAE-NRFANRHFSA-N	407.901	4.653	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nc3sccn23)cc1	917037736	JBVSUUQCOKAZQX-SSZFMOIBSA-N	400.463	4.617	50	20	HJGD	
COc1ccc2cc(CNC(=O)NNc3ncc(C(F)(F)F)cc3Cl)ccc2c1	918200063	VQELKXSRTDBLGL-UHFFFAOYSA-N	424.810	4.742	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc(CN3CCCC3)c2)c(C)n1CC(C)C	920445274	UTEYNXPQTNZGHF-AFUMVMLFSA-N	418.585	4.580	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc3c(s2)CCCCC3)c(C)n1C[C@@H]1CCCO1	1318132361	CQUWZRVKIYVNNZ-GQEMFKIVSA-N	424.570	4.555	50	20	HJGD	
O=C(/C=C/c1cccs1)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1788165411	JBMXDHHUBAHNNX-CMDGGOBGSA-N	409.338	4.699	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)c1	1790282973	PNXUFIGDMBIJQA-UHFFFAOYSA-N	410.590	4.594	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cc2sccn2c1	1791604730	JAQLKUSVXBCNIG-UHFFFAOYSA-N	422.337	4.552	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)ccc2F)n[nH]1	1821101364	BKARZEXQNYPGPA-QAPCUYQASA-N	420.916	4.571	50	20	HJGD	
O=C(N/N=C1/C(O)=Nc2c(Cl)cc(Cl)cc21)c1cc2ccccc2cc1O	5778311	MUWNUYMLAZQUKA-UHFFFAOYSA-N	400.221	4.588	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC(F)F	23214979	ALVLNKUDVJKYTR-KPKJPENVSA-N	412.314	4.861	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(Cl)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1	48332117	YOKUITHFUDLYII-NVMNQCDNSA-N	404.278	4.517	50	20	HJGD	
N#C/C(=C\c1cnc2ccc(Br)cn12)C(=O)Nc1cccc2ccccc12	210215231	YWUUURJLHSMYAU-XNTDXEJSSA-N	417.266	4.796	50	20	HJGD	
Cc1nc(C(=O)NNc2ccnc3cc(Cl)ccc23)nn1-c1ccccc1C(C)C	729514723	LKLMGATZTVPALT-UHFFFAOYSA-N	420.904	4.658	50	20	HJGD	
Cc1nc(C)c(CCNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)s1	731020133	KTMWRCJDQDMTDY-UNOMPAQXSA-N	422.529	4.572	50	20	HJGD	
COC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C1	733177849	XQAMJPUJPVMWTC-JLWFYQMASA-N	411.933	4.540	50	20	HJGD	
COc1ccc(O)c(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1	734015503	PBWGJDUTNFMPDB-XDHOZWIPSA-N	407.514	4.548	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@](C)(O)c2ccccc2)c(C)n1C1CCCCC1	734017894	SQFYVNXQJFGMIF-BTUGVJQXSA-N	405.542	4.541	50	20	HJGD	
CCC[C@H](C(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccccc1	734257615	HUKRXJJHYXCOLL-INIZCTEOSA-N	415.419	4.584	50	20	HJGD	
O=C(CCSc1ccccc1F)Oc1ccc([N+](=O)[O-])cc1Br	739311602	RDZXTPWEFGTGLN-UHFFFAOYSA-N	400.225	4.584	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3OC)cc2)cc1OC	741454017	AQNYTEKZBNLWLL-UHFFFAOYSA-N	418.493	4.924	50	20	HJGD	
CC1(C)C(=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)[C@H]2CCCO[C@H]21	743424466	KVOSBZQIVXZJMY-TZIWHRDSSA-N	412.917	4.840	50	20	HJGD	
C[C@@H]1CC(OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)C1	744212681	JIVCBQGXCHEFQL-FFOYTNLWSA-N	402.498	4.739	50	20	HJGD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CCCC[C@@H]3CCSS3)ccc2NC1=O	744752023	OAEMOIFBRSXXCV-UNEWFSDZSA-N	408.589	4.687	50	20	HJGD	
COc1ccc(NNC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)cc1	746887143	QZAVXDHOVWUUOI-UHFFFAOYSA-N	418.493	4.553	50	20	HJGD	
COc1ccc(Br)c(C=NNC(=O)c2c(Cl)cccc2Cl)c1	747751655	QCLOUMATSOREQF-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNc2ccc(Cl)cc2Cl)c1C	748018858	QDVWCIJXEBHSAD-MJOIQJIUSA-N	421.328	4.669	50	20	HJGD	
Cc1c(C(=O)NNc2cccc3cnccc23)nnn1-c1ccc(-c2ccccc2)cc1	748767375	QQKASYOXHLOHKQ-UHFFFAOYSA-N	420.476	4.548	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1	749621885	GNAUGKLGZXAERO-UYRXBGFRSA-N	417.440	4.635	50	20	HJGD	
CSc1cc(Br)ccc1/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1	755699922	OODZPHGKLMAELL-CXUHLZMHSA-N	408.342	4.818	50	20	HJGD	
O=C(NN=Cc1c(F)ccc(C2OCCO2)c1Cl)c1cc2c(s1)CCCCC2	761778251	QBMOQOSZHVYZRS-UHFFFAOYSA-N	422.909	4.619	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@@H]1CCc2c(O)cccc21	762676783	KBAOHIRTKVSEOG-CQSZACIVSA-N	422.375	4.792	50	20	HJGD	
O=C(NCc1nnnn1-c1ccccc1)Nc1cccc(S(F)(F)(F)(F)F)c1	762980644	RXDAJTFHQJSAPJ-UHFFFAOYSA-N	420.367	4.641	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(C)n1CC(C)C	765323003	IZSUAKDDEIOARY-LQALXNMKSA-N	405.542	4.704	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCCc2c[nH]nc21	765872376	PVLUMLRSBVCBCT-RISCZKNCSA-N	404.845	4.828	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccc(-c2ccc(OC(F)F)cc2)s1	766671314	IBWNMCUQOPWQET-UHFFFAOYSA-N	418.450	4.778	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)OCC(=O)Nc1ccccc1Cc1ccccc1	766751603	MGNXAICNWAYCBA-LJQANCHMSA-N	418.331	4.569	50	20	HJGD	
Cc1ccc(CCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	773274617	OIMVWTFYJBUWOS-UHFFFAOYSA-N	408.392	4.950	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1	777479779	QQMFPGFWTHWCHC-UHFFFAOYSA-N	406.486	4.576	50	20	HJGD	
COc1ncc(C)cc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777636200	QZCCAEKORBZZDP-UHFFFAOYSA-N	404.382	4.857	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(C(F)(F)F)cc3Cl)c(C)cc2c1	778476873	STZWISPQFBBVBV-UHFFFAOYSA-N	409.795	4.981	50	20	HJGD	
CC(C)CN(C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(C)C	783403825	JOLLXGJUMROVTL-INIZCTEOSA-N	410.889	4.737	50	20	HJGD	
Cc1cc2c(Br)ccc(C(=O)NNc3ccc(C#N)c(Cl)c3)c2o1	785633391	QDHCWFBXHDCMFH-UHFFFAOYSA-N	404.651	4.786	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc1OC	794885349	QWAPFJZQUFRBCP-SXGWCWSVSA-N	423.266	4.804	50	20	HJGD	
C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	805111601	ZOVSYABZKURLNW-SWLSCSKDSA-N	420.469	4.591	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc(OC)c1OCC(F)F	809145912	JKHCTGZLGXKYTC-CAOOACKPSA-N	424.403	4.686	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c2ccccc2n1	811631229	PRZQBJUCSUAUAQ-UHFFFAOYSA-N	403.225	4.522	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1C	812716189	JOQJSSMGCMMMRB-UHFFFAOYSA-N	413.861	4.545	50	20	HJGD	
O=C(NN=Cc1cccc(C(=O)O)c1Cl)c1ccc(-c2ccc(F)cc2)s1	814769632	FDISHZVOOPQXSB-UHFFFAOYSA-N	402.834	4.670	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccc2c(c1)CCC2	817016048	DAEZUNHHJWGWFE-UHFFFAOYSA-N	416.321	4.539	50	20	HJGD	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(Cl)cc2)c1	866016927	YPIHIQGEIGIZCQ-UHFFFAOYSA-N	418.884	4.958	50	20	HJGD	
COc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1OC	914478455	OVCYMRFWXJYTDL-KGENOOAVSA-N	421.541	4.851	50	20	HJGD	
O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)NN(Cc1ccccc1)c1ccccc1	916687585	KLTZTKOVCOFSIP-UHFFFAOYSA-N	424.504	4.640	50	20	HJGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3ccc(F)cc3Br)o2)cc1	917549738	BDMJFDIRDGWNOT-UHFFFAOYSA-N	401.235	4.921	50	20	HJGD	
O=C(CNc1ccccc1F)NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	918708411	MITRZTYRNGGMNF-UHFFFAOYSA-N	422.407	4.530	50	20	HJGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1ccc(-c2ccccc2)s1	1318915725	VOSSIWJDNIIPJW-UHFFFAOYSA-N	413.506	4.513	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	1325985206	JTVZAKPKMUAIHQ-UHFFFAOYSA-N	410.264	4.756	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc(F)c3)CCC2)cc1	1786011304	IBJIINBDEGNDJF-UHFFFAOYSA-N	416.924	4.767	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3F)cc2)CCC1	1790221144	WOHWBMVAQAFBTR-QGZVFWFLSA-N	406.860	4.730	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc(F)c3F)CCC2)cc1	1790489391	YHKPIHUQGXJTEW-QGZVFWFLSA-N	420.887	4.659	50	20	HJGD	
C[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC2)cc1	1791435927	MOVYUAIPYJYRLN-BZUAXINKSA-N	421.379	4.730	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@]3(F)CCCC=C3F)cc2)CCC1)C(Cl)Cl	1792377646	HOLNLJTYXWVEBS-IBGZPJMESA-N	417.283	4.670	50	20	HJGD	
CCc1ccc(-c2nc(C(=O)NNC(=S)Nc3cc(C)ccc3C)cs2)cc1	7403880	JRKXQMSRAUCJBX-UHFFFAOYSA-N	410.568	4.621	50	20	HJGD	
Cc1ccc(N2C(=O)CC[C@@H](C(=O)NNc3ccccc3)[C@H]2c2cccs2)cc1	195605190	OGTMZSLTJZQHSK-KNQAVFIVSA-N	405.523	4.684	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(-n3cccc3)c2)c(C)n1C[C@@H]1CCCO1	726934724	XQCMHEUDDMBNPG-WNOSOOIWSA-N	414.509	4.620	50	20	HJGD	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727846992	NOUFNONYTSQDKW-LLVKDONJSA-N	406.269	4.787	50	20	HJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)cc1OC	730436396	KBPJJHLQTKTCGF-KPKJPENVSA-N	422.300	4.716	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)cc1	730843028	VZZMGHACMNHGMH-VXKWHMMOSA-N	419.550	4.748	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@H](C)CCC1CCCCC1	734519193	QABHCYUXHYYVHY-OAHLLOKOSA-N	414.575	4.812	50	20	HJGD	
CCOC(=O)C1(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CCC1	741057455	XAPJHPOVJWEQNY-CYBMUJFWSA-N	424.872	4.761	50	20	HJGD	
COc1cccc(-c2nc(C=NNC(=O)Nc3ccc(OC(F)F)cc3)cs2)c1	741772399	VOHSVHKQABEUDP-UHFFFAOYSA-N	418.425	4.576	50	20	HJGD	
N#C/C(=C\c1cc2c(cc1OC(F)F)OCO2)C(=O)c1c[nH]c2cc(Cl)ccc12	741844856	UNTHTNNMZKWEFQ-QDEBKDIKSA-N	416.767	4.941	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)c2)cs1	742626919	CEHYJOYFYPQSEM-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
CCc1cnc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)s1	742806347	XXXJZNPWGMRTAF-YBFXNURJSA-N	404.539	4.645	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)Nc1ccc(C)cc1Cl)C(C)(C)c1ccccc1	745838862	NBXVHUIVBQCZPM-SFHVURJKSA-N	402.926	4.741	50	20	HJGD	
COCCN(CCP(=O)(c1ccccc1)c1ccccc1)[C@H](C)c1ccccc1	746149493	CRAUIONEYMVUOS-JOCHJYFZSA-N	407.494	4.710	50	20	HJGD	
CCCc1noc2nc(C3CC3)cc(C(=O)NNc3ccccc3Br)c12	748058572	HVYLWXYAXYYCKE-UHFFFAOYSA-N	415.291	4.572	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccc(Br)cc3F)cs2)cc1	748190071	QRKLSCACOOJSNB-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cccc(-n2nccc2C(F)(F)F)c1	748585631	NTUFORZAVBAKJK-UHFFFAOYSA-N	400.404	4.527	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1	748672873	NRDZOBIDYLGXRP-LJQANCHMSA-N	415.465	4.794	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(Br)cc2)cc1OC1CCCC1	752626837	RPXUIWRIFOTWSB-UHFFFAOYSA-N	405.292	4.536	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1F)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	753682097	AHSGDZCIHNIIFN-XGICHPGQSA-N	415.833	4.559	50	20	HJGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNc1nc(-c2ccccn2)nc(C)c1C	754233801	LASXONJPTGBTMX-QAPCUYQASA-N	401.514	4.588	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1sc2cc(Cl)ccc2c1Cl	755183444	WOZIWNLJMBHIOZ-UHFFFAOYSA-N	407.204	4.774	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H]1c1ncc[nH]1	759097361	WQQWHGLHHCLUIC-LBPRGKRZSA-N	403.398	4.593	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ncccc3[N+](=O)[O-])c3ccccc3n2)c(C)c1	759292189	RGXMJBOFSMDIPF-UHFFFAOYSA-N	413.437	4.579	50	20	HJGD	
O=C(CCc1ccc(O)cc1)NNc1c(Cl)cc(Br)cc1Cl	760895815	BFPAYURJJIWGTA-UHFFFAOYSA-N	404.091	4.537	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1sc(-c2ccccc2)cc1OCc1ccccc1	760906810	JXNXIARETBVNMF-UHFFFAOYSA-N	420.469	4.680	50	20	HJGD	
Cc1noc(C)c1COc1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1	761588652	WQIVDFDURIXGTD-UHFFFAOYSA-N	421.375	4.526	50	20	HJGD	
CC(=O)N1CC[C@H](CN(C)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762979318	IFZDOCUMLWGGRZ-GFCCVEGCSA-N	401.401	4.676	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)NNc3cccc(C#N)c3)ccc2OC(F)F)cc1	769936391	FESFRVZYNSAEBA-UHFFFAOYSA-N	424.407	4.984	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)n1	769974451	LPPXRXIDJHXUOO-LBPRGKRZSA-N	412.346	4.528	50	20	HJGD	
C[C@@H](c1cccc(NC(=O)NNc2ccc(Cl)cc2Cl)c1)N1CCOCC1	770026153	GZFKOPAEBBZPRL-ZDUSSCGKSA-N	409.317	4.535	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)OCc2nc(-c3ccccc3Cl)cs2)cc(C#N)n1C	774958490	URRIIEAYFQMYFX-CHHVJCJISA-N	422.897	4.632	50	20	HJGD	
CCCc1nc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)s1	777043892	QEDSVLJXEHYGCS-LOHYDARVSA-N	412.559	4.547	50	20	HJGD	
CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)S(=O)(=O)CCCCCl)c1	780690923	SVQWLBJHRQQWHQ-KRWDZBQOSA-N	422.978	4.557	50	20	HJGD	
Cc1sc([C@@H](C)NS(=O)(=O)CCCCCl)nc1-c1ccc(Cl)cc1	780811281	SBRYZQGHMIYLQY-LLVKDONJSA-N	407.388	4.771	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1	785345393	OPAPQUZALVUPGQ-MDWZMJQESA-N	400.221	4.694	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](CC)c2ccccc2)ccc1OC(F)F	787145725	SBXMCBQTMNLYSV-FSEPTYSPSA-N	400.425	4.861	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H]2CCOc3c(C)cccc32)c1C	789500349	QEGDJDDPTPNALB-WSMCSGFASA-N	408.498	4.595	50	20	HJGD	
COc1cc(NNC(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)ccc1Cl	799249321	XOQMFCQSWFNANA-UHFFFAOYSA-N	406.273	4.645	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNc3cc([N+](=O)[O-])ccc3Br)s2)o1	800617763	SJWGVVOPRQSMJP-UHFFFAOYSA-N	422.260	4.744	50	20	HJGD	
Cc1cccn(Cc2c(F)cccc2NC(=O)CCCC[C@H]2CCSS2)c1=O	807744691	HGHYXFKJOCPPJZ-INIZCTEOSA-N	420.575	4.997	50	20	HJGD	
COC(=O)c1cc(NNC(=O)c2sc(-c3ccc(Cl)s3)nc2C)ccc1C	816687810	PWPXVQFFFWACTP-UHFFFAOYSA-N	421.931	4.685	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(CCC(F)(F)F)cc2)c(C(F)(F)F)c1	816703085	NVBRBDQECMOGRC-UHFFFAOYSA-N	406.326	4.966	50	20	HJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNC(=O)c3ccc(Cl)cc3)cs2)cc1	912634329	RFQVJVVHXOJSGF-UHFFFAOYSA-N	413.930	4.591	50	20	HJGD	
C[C@@H]1CN(Cc2ccc(CNC(=O)CCCC[C@H]3CCSS3)cc2)C[C@@H](C)O1	914870159	TXPYDCMIDZJZNG-OPYAIIAOSA-N	422.660	4.626	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OCC(C)C)c2)c(C)n1C[C@H]1CCCO1	917701041	QMVYGMQRVJNCLL-FAUWUSJQSA-N	421.541	4.864	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3)c(F)c2)c1C	917783792	QDBASEZSIVEVTR-XNHPLOEXSA-N	424.520	4.597	50	20	HJGD	
O=C(CCNC(=O)c1cccs1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918560096	WLZUMCBOWSEEQA-OAHLLOKOSA-N	422.881	4.726	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(NC(=O)NNc2nc3ccccc3s2)ccc1F	1323327455	BYTNZUSPXCTCFL-UHFFFAOYSA-N	417.466	4.931	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(COc3ccc(C)c(C)c3)o2)c1C	1326082455	JICZSWFUCBQQLY-DUQUIBLKSA-N	420.513	4.955	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2noc(-c3ccc(F)cc3)n2)c1C	1343351374	QBLQALMSWGFFGT-UNOMPAQXSA-N	422.460	4.745	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3[nH]cc4c3CCC4)CCC2)cc1	1786445193	XUBLGGHWGHLJSY-LJQANCHMSA-N	413.949	4.659	50	20	HJGD	
Cc1cc(F)cc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)c1	1790633472	HQXIYTDXOAUXSW-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1	1791359648	LNVNOMCTQYAMAG-MRXNPFEDSA-N	421.360	4.669	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@](C)(Cl)CCl	1800083125	OJOBAKOAQJPESV-KYFSNAEOSA-N	419.437	4.858	50	20	HJGD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)CCCCCCCCCCCl)C2)c[nH]1	1845124616	NKIORQWQKJDBRF-UHFFFAOYSA-N	422.013	4.890	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3oc(C(C)C)nc3C#N)oc2c1	116140434	XTTMHFNMZHFCJR-UHFFFAOYSA-N	416.437	4.848	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NCCc1ccccc1	207520840	GGURFDIVPYPAJN-VKAVYKQESA-N	403.463	4.589	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	214374285	FQONVNANINVXAS-OWBHPGMISA-N	405.435	4.878	50	20	HJGD	
CC(C)c1ccc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-]	730570678	QCKGSYLFWJETAO-UHFFFAOYSA-N	408.483	4.535	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc([S@](C)=O)c3)c2C)cc1	732123229	TVPBSJXZYRMENR-NQDPKESOSA-N	417.534	4.686	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc(C)c1OCc1ccccn1	732715928	CYSGNYUYSCDTHG-RCCKNPSSSA-N	403.526	4.976	50	20	HJGD	
COc1ccc2nc(C)c(C(=O)NNc3ccc(Br)cc3Cl)cc2c1	733807802	GGJYJROITGLTOO-UHFFFAOYSA-N	420.694	4.725	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Oc2ccncc2)c(Cl)c1	733950934	OSEAEPLZGUAZGZ-UHFFFAOYSA-N	417.852	4.755	50	20	HJGD	
COC(=O)c1ccc(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)o1	734204529	IWRJSDCCBMMDEV-AWEZNQCLSA-N	422.812	4.607	50	20	HJGD	
O=C(NNc1ncccc1Cl)[C@H](Sc1ccc(F)cc1F)c1ccccc1	734247614	SLQRJZRGXBVGCL-QGZVFWFLSA-N	405.857	4.990	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(SC)cc1OC	741165898	SJCSXDZUIOTMQR-NTUHNPAUSA-N	422.428	4.990	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc1	741230018	YEEADQFWRYNZAR-KGENOOAVSA-N	420.509	4.745	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	741870629	WTWBCZOYNPGYQP-UHFFFAOYSA-N	419.721	4.679	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNc3c(F)cc(F)cc3Br)cc2C1	741981074	ZZIPHOOHNOMBLB-QMMMGPOBSA-N	401.276	4.671	50	20	HJGD	
COc1ccc2sc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c(C)c2c1	742035405	KKYBTWSJDYJRON-UHFFFAOYSA-N	409.294	4.600	50	20	HJGD	
COc1ccc(C)cc1C=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	744595893	IXJQXYUOPGFRNJ-UHFFFAOYSA-N	410.477	4.620	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccccc1Nc1ccc(OC(F)F)cc1	748004393	HKVLBPGWBVKETH-UHFFFAOYSA-N	414.368	4.697	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCC[C@H](C)c2ccccc2)c(C)n1C[C@H]1CCCO1	749834991	XDGHNZMUMILBJM-XXFYEZMRSA-N	405.542	4.501	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@H](CC1CCCC1)c1ccccc1	752699807	HESVYXQXXMUXPK-JOCHJYFZSA-N	402.498	4.500	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC=C(C#N)CC2)c(C)n1-c1cccc(C(F)(F)F)c1	760008419	LJXFTYWESIPWEJ-YBFXNURJSA-N	424.426	4.702	50	20	HJGD	
O=C1C[C@@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c2ccccc21	760599900	XDIGMOMAYKKCMK-CQSZACIVSA-N	413.389	4.950	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc(CN2CCC(CO)CC2)c1	763458738	BRSDUVUTJZFIHS-FQEVSTJZSA-N	408.633	4.544	50	20	HJGD	
Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)[C@@H](Br)C(C)(C)C)c(Cl)c1	766748818	BKEGPGPCYQXSBA-SMDDNHRTSA-N	404.732	4.637	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2c(C)oc3ccccc23)c1C	767214069	IJJUHUXCDIQTKA-MBTVCVBTSA-N	405.498	4.590	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCOC3(CCC3)C2)c1C	768939076	WEFSZAZEMSYGTK-QJUACMODSA-N	403.526	4.527	50	20	HJGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccccc1-c1cccs1	769941610	FHRJGYXSLFANIY-UHFFFAOYSA-N	423.466	4.560	50	20	HJGD	
CS[C@@H](C)CCC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1	774065330	YYHRSVITGJWYEX-INIZCTEOSA-N	420.600	4.618	50	20	HJGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NNc1ncc(Cl)cc1Cl	775275839	TYBJEXDFEUIJIC-UHFFFAOYSA-N	413.113	4.863	50	20	HJGD	
N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc(OC(F)F)cc1	776258998	XHMKFKHYQVYPJL-KPKJPENVSA-N	423.169	4.749	50	20	HJGD	
Cc1cc(C(=O)NNc2nc3ccccc3cc2C)c2ccc(Br)cc2n1	777477136	DFRTUHDQYHKJHZ-UHFFFAOYSA-N	421.298	4.919	50	20	HJGD	
CN1CCC(C)(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	780476622	XUJAQWKAQOWYAL-CQSZACIVSA-N	409.905	4.759	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cnc12	783697756	UELTVDSNLXWRSA-KPKJPENVSA-N	415.678	4.604	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cn(C)nc1C1CCCCC1	783814017	ZBEQKBOXEYMSOG-QGZVFWFLSA-N	404.514	4.539	50	20	HJGD	
COC[C@@H](OC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C)c1nccs1	785541898	DIOLYIXABLMILV-JAORQVBISA-N	421.522	4.697	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1C#N	787145683	RVVXFMXBDOLXPT-AAWHYMEISA-N	400.265	4.658	50	20	HJGD	
CCOc1ccc(-c2nc(CC(=O)NNc3ccc(Cl)c(OC)c3)cs2)cc1	790168513	MNYAZOUYCFPXAC-UHFFFAOYSA-N	417.918	4.557	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccnc1OCc1ccccc1F	790804734	PRYXWWRDNPVXJA-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3C)c(F)c2)c(F)c1	805373710	ZXLFJBIJEVVNKK-UHFFFAOYSA-N	413.380	4.614	50	20	HJGD	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)s1	810665661	FJDPPECDPJIFMO-UHFFFAOYSA-N	415.437	4.895	50	20	HJGD	
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccc(OCCCCl)cc1	811463789	HIBMUNDOQORKSW-NRFANRHFSA-N	416.949	4.614	50	20	HJGD	
CCc1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	855283003	RFIJMRBMCJFSFA-MEGCXXLRSA-N	421.541	4.801	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2c(Cl)cccc2Cl)c1C	914501710	MOTUYMOUOAEJAO-GZTJUZNOSA-N	420.340	4.624	50	20	HJGD	
CCCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	915161927	YFCMMPQTHOQCHP-BXDIUNCMSA-N	407.514	4.618	50	20	HJGD	
CC(C)c1nn(C)c(Cl)c1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	915945386	PQCWHLRSIHFWIP-UHFFFAOYSA-N	421.888	4.769	50	20	HJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1	915985224	RGYZZZLDDMQMME-CAPFRKAQSA-N	413.477	4.637	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3cccc(Cl)c3)cc2)n1	916293966	QAMBQURKNSQSPQ-UHFFFAOYSA-N	410.930	4.803	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)NC1CCC2(CC1)OCCO2	916413772	HJYODUPKUISPNY-CQSZACIVSA-N	424.872	4.713	50	20	HJGD	
CCCOc1cc(C)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	917746072	HKMIJKCVYYKSSS-QJUACMODSA-N	421.541	4.927	50	20	HJGD	
O=C(CCCc1ccc(Cl)c(Cl)c1)NNC(=S)Nc1cccc(Cl)c1	918680255	VYQRZYGXWDYTKY-UHFFFAOYSA-N	416.761	4.987	50	20	HJGD	
ClCCCOc1ccc(CN2CCc3c(ncn3CCc3ccccc3)C2)cc1	929067941	ZHPCZTTVVLEIJC-UHFFFAOYSA-N	409.961	4.692	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)nn1	1318589770	RKWXDYIKMPSYPA-SFTDATJTSA-N	416.525	4.600	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(C(=O)c3cccs3)CC2)c1C	1319134112	AEILXZZWFFAVNS-QNGOZBTKSA-N	423.582	4.995	50	20	HJGD	
CN1CCN(c2ccc(/C=C(\C#N)c3ncc(C(F)(F)F)cc3Cl)cc2F)CC1	1321783113	HDVGORCWPQVGDQ-RIYZIHGNSA-N	424.829	4.709	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(COc3cccc(C)c3)o2)c1C	1323866379	HYGUCBHQVZZWRC-BCUAHEQISA-N	406.486	4.647	50	20	HJGD	
COc1cscc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1	1788825458	NMEXWONLZFDNMD-UHFFFAOYSA-N	420.962	4.769	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3F)CCC2)cc1	1790486008	RZPWJJQIIACYCH-GOSISDBHSA-N	402.897	4.520	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1	1814700118	ASGNJFUKTMODTB-YSJWXEPDSA-N	420.985	4.637	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1	1824611589	MSYZDDAACZXIRH-VQTJNVASSA-N	408.970	4.537	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826265469	WGLRVSHLZHZWEB-NHCUHLMSSA-N	411.030	4.984	50	20	HJGD	
CC(C)c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)cc1	1827614111	KXTLRRXHZOVGFU-RBBKRZOGSA-N	422.972	4.507	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC)cc2)CC1	1830070190	KJVIERWHMJSBTN-FGZHOGPDSA-N	419.009	4.890	50	20	HJGD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)CCCCCCCCCCCl)C3)c[nH]1	1843553539	CUGWSUDHVZQBSF-UHFFFAOYSA-N	422.013	4.890	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)c3ccccc3F)cc2)cc1	212677038	JIAPBIXEDXUSKJ-ZHZULCJRSA-N	415.420	4.981	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)cc1	726618739	MSCTYSYFSKAJPT-SFHVURJKSA-N	407.436	4.609	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC3CCCC3)nc2)c1C	726926192	RCSHSVPOFHVLTA-BRLDDBHUSA-N	422.529	4.574	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c(C)n1CCC(C)C	727718025	IKVDSXSJFFNSSN-GUBQRQEFSA-N	423.561	4.832	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl	728176804	ZMYISLZNFBKQAC-QPEQYQDCSA-N	401.228	4.864	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	728749931	MCHLGYVREUYLIE-GOSISDBHSA-N	408.329	4.849	50	20	HJGD	
CCSc1ccc([C@@H](C)NC(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1	729053949	GXVMAEDIGDGIEC-CYBMUJFWSA-N	423.991	4.636	50	20	HJGD	
O=C(/C=C\c1cccc(F)c1)NNc1ccc(Br)cc1C(F)(F)F	731479025	NMZHGUVJODJSAL-DAXSKMNVSA-N	403.173	4.764	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](O)c2ccc3ccccc3c2)c(C)n1CC(C)C	731830919	NGXRGHCTKZLSAX-WRPBSQTBSA-N	415.537	4.671	50	20	HJGD	
O=C(CCC(=O)c1ccc2ccccc2c1)NNC(=O)c1ccc(Cl)cc1Cl	731966546	HUBNPALXQAYBTF-UHFFFAOYSA-N	415.276	4.571	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	732575473	CLCDHVQTCZDSOY-MKMNVTDBSA-N	415.806	4.933	50	20	HJGD	
CC(C)S(=O)(=O)Cc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1	732782324	GGRCMBLSROOTHO-KRWDZBQOSA-N	401.619	4.662	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)CCSc1ccc(F)cc1)c1ccc(Cl)s1	734069020	MAFJKJHIHSUSPM-CYBMUJFWSA-N	415.943	4.505	50	20	HJGD	
Cc1cc(NNC(=O)c2ccccc2OCc2cscn2)ccc1Br	734253128	LZUHPJJLADCYBI-UHFFFAOYSA-N	418.316	4.550	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc3ccccc3n2C)c1C	736218195	IOESRCNJOJSMDK-HDAKKWKLSA-N	403.530	4.576	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)CC(F)F)c1C	744379120	STAPHBANLRXNCG-LASGFXPTSA-N	415.484	4.513	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=C(C)c2ccc(-c3ccncc3)cc2)cc1Cl	745204776	QKSRVQGWUISIKC-UHFFFAOYSA-N	424.888	4.965	50	20	HJGD	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	747985654	DQTJJYCDPVZDFW-UHFFFAOYSA-N	424.482	4.789	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1c[nH]nc1-c1cccc(OC(F)F)c1	748008349	UVEGECPJEVARCI-UHFFFAOYSA-N	413.211	4.742	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1	748339375	SBPYPMFTKACBKA-SFHVURJKSA-N	420.872	4.693	50	20	HJGD	
O=P(CCN1CCC(CCCN2CCCC2)CC1)(c1ccccc1)c1ccccc1	752069873	TUDNLGCTDUMLHV-UHFFFAOYSA-N	424.569	4.589	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	752293023	GWUYQCXBFOXNNA-HXJASHHUSA-N	420.488	4.665	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1	753376916	IMJBPEHEYIKMEM-CXDFQFJYSA-N	403.438	4.655	50	20	HJGD	
CC(C)n1ncc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c1-c1ccccc1	754206530	HPMVGVNOKJKSBB-UHFFFAOYSA-N	417.296	4.513	50	20	HJGD	
Cc1nn(C)cc1/C=C(/C#N)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	755406472	CQZXBHGAQDVVDA-YBEGLDIGSA-N	410.424	4.527	50	20	HJGD	
CSCc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	759352192	OJKNURUJODBIHJ-HNLWVNFGSA-N	409.555	4.693	50	20	HJGD	
CCCc1c(C(=O)NNc2cccc(Br)c2)cnn1-c1ccccc1C	760460957	UWMMHVWRHFMTPH-UHFFFAOYSA-N	413.319	4.653	50	20	HJGD	
CCO[C@H](CCN(C)C)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762976860	YFFDBFLZLFTXFG-CYBMUJFWSA-N	405.433	4.822	50	20	HJGD	
N#C/C(=C/c1cc(F)c(F)cc1F)c1nc(O)c2cc(Br)ccc2n1	767717911	PKMVXZLAQCJLFY-OQFOIZHKSA-N	406.161	4.579	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)c(Br)c2)c1	768269974	TUVOUQHQFWUASI-KPKJPENVSA-N	423.213	4.605	50	20	HJGD	
Cc1nc([C@@H](NC(=O)CCCC[C@@H]2CCSS2)c2ccc(Cl)cc2)no1	771285846	ZMRJAJCXDYSKCT-WBVHZDCISA-N	411.980	4.951	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)NNc3cccc(Cl)c3)cccc21	775667334	YIVZJTVYQVJAPW-UHFFFAOYSA-N	402.882	4.786	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ncc(Cl)cc2Cl)c1C	777041863	QBGSPMQSIBMMPO-UDRREKMYSA-N	422.312	4.665	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1	777480264	WENFPDMCRRQTCK-UHFFFAOYSA-N	408.408	4.552	50	20	HJGD	
CN(C[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	778253699	SKUJVIHVBGDNCI-CORIIIEPSA-N	410.889	4.921	50	20	HJGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccc(Br)cc2C(F)(F)F)CCO1	780496272	NPYCIPQUPSBDAE-ZYHUDNBSSA-N	409.246	4.506	50	20	HJGD	
Cc1ccc(F)c(C(=O)NNc2ccc(Br)c(F)c2)c1Br	787534529	RWPQIILTVVKYOC-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCCC3)cc2)c1C	789950489	JPSOZGQTLFXTHX-UQRWVXEISA-N	420.557	4.848	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(Oc2ccc(F)c(F)c2)cc1	790585245	GADNUKKVFYKYBI-UHFFFAOYSA-N	403.316	4.561	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3c2OCC[C@H]3OC)c1C	791090825	BITKFSCOKBLFIK-PZNLSKEWSA-N	407.514	4.921	50	20	HJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	797028342	LZSHNYXXYLFBBJ-UHFFFAOYSA-N	422.488	4.865	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1cccc([N+](=O)[O-])c1C	797949485	UTIWFQWEUHBHLE-UHFFFAOYSA-N	421.240	4.930	50	20	HJGD	
Cc1cc(Br)c(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1Cl	804567585	UJRZTWLSMKYECH-UHFFFAOYSA-N	408.605	4.582	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cnc(C(F)(F)F)cc2C)c1C	813275340	FCHHXMJISRLMJM-XPGOGFAUSA-N	420.435	4.580	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1C	914510683	UFXVIZQPBXXFAA-OLRBPVQESA-N	418.541	4.780	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3c(C)noc3C)c2C)cc1	915195323	VZJWDRDAVCXWRA-MTJSOVHGSA-N	402.498	4.573	50	20	HJGD	
CCCOc1ccc([C@@H](C)NC(=O)NNc2ccccc2C(F)(F)F)cc1OC	918211426	AGVXFKQCBUCUSQ-CYBMUJFWSA-N	411.424	4.890	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1cccc2c1OCCO2	921278291	RAKQQTPZDPZHDU-MRXNPFEDSA-N	403.809	4.929	50	20	HJGD	
Cc1nc(COc2cccc(C(=O)NNc3ccc(Br)cc3)c2)cs1	932528567	IAQYJIVFTQHVFD-UHFFFAOYSA-N	418.316	4.550	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1	1785881065	WGXJDRABQBNRKV-NRFANRHFSA-N	423.944	4.642	50	20	HJGD	
C[C@H](Br)C(=O)NC1(c2ccc(NC(=O)CCC3CCCC3)cc2)CCC1	1787619528	MYDSJFHMZQFYGD-HNNXBMFYSA-N	421.379	4.874	50	20	HJGD	
COc1ccc(C)c(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)c1	1790704937	ISAXMBRQQQUPFI-UHFFFAOYSA-N	421.324	4.555	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1	22234081	XYAVPFHEEJLFTF-FQEVSTJZSA-N	412.946	4.713	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(-c2ccncc2)n1	63276336	PLEBWSBMQGGXOT-CYVLTUHYSA-N	421.460	4.820	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1	214861974	GUOKELLDVBTVLH-GRRFOWRYSA-N	403.265	4.779	50	20	HJGD	
O=C(NNC(=O)[C@H](Oc1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl	727791968	AQQJMFRLBPRDKV-LJQANCHMSA-N	415.276	4.575	50	20	HJGD	
C[C@H](c1ccccc1Cl)N(C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727847290	WFBZZLKEJQEVIC-SNVBAGLBSA-N	400.693	4.694	50	20	HJGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc(-c2ccccc2Br)s1	728786546	MDZJYAXQZBPMFL-UHFFFAOYSA-N	414.328	4.656	50	20	HJGD	
CC(C)(C)c1csc(CNC(=O)NNc2nc(Cl)c(Cl)cc2Cl)n1	729623162	GVJVBMQPICHGPT-UHFFFAOYSA-N	408.742	4.622	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1	731932646	PNZULQDGLYJIBA-SFHVURJKSA-N	400.404	4.535	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1c(Cl)nc(Cl)n1-c1ccccc1)C1CCCCC1	732716131	HCWNBQAUJGSQNH-OWBHPGMISA-N	403.313	4.877	50	20	HJGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)NCc1ccc(Cl)cc1)c1ccccc1	733036554	CUHUPBHMPAYVLT-LJQANCHMSA-N	402.926	4.531	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1	733168883	PKQUEARVVYSKDH-QNGOZBTKSA-N	422.488	4.648	50	20	HJGD	
CCOC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)C1	733763480	XIPGNKBOTOMTJT-KURUZVKSSA-N	405.542	4.585	50	20	HJGD	
Cc1csc(CC(=O)NN=Cc2cc(C)c(OCc3ccccc3C)c(C)c2)n1	734746501	MAZBIPRXBARWFB-UHFFFAOYSA-N	407.539	4.649	50	20	HJGD	
CC(C)(C)n1cc(C=NNC(=O)COCc2ccccc2)c(-c2ccccc2Cl)n1	737438912	OFLIKIQAMDGKRJ-UHFFFAOYSA-N	424.932	4.625	50	20	HJGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=S)Nc2cccc(Br)c2)cc1	738555632	DFGFGBBUYGUAMT-ZDUSSCGKSA-N	420.376	4.523	50	20	HJGD	
CCCCSCCC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	740084965	BCBXUEXRBLZWCP-UHFFFAOYSA-N	413.918	4.600	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2coc(-c3ccccc3)n2)c(C)n1CC(C)C	741617278	VNVZOIYPVVCIGS-NHDPSOOVSA-N	402.498	4.639	50	20	HJGD	
CCCNC(=O)NNC(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1	741676239	JGRZNOZEWUWDMR-UHFFFAOYSA-N	412.342	4.640	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)n1	742510388	BLESSJUUIDNIFV-UHFFFAOYSA-N	403.269	4.949	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(C3CCCC3)CC2)c(C)n1C[C@H]1CCCO1	742791451	NFHUALGPRGFWLL-CRYHJCRISA-N	409.574	4.620	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(Cl)ccc2OC[C@H]2CCCO2)n1	743057966	XHQCXMYLOAXBMF-WPMUKRGUSA-N	418.902	4.595	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(OCC3CC3)CC2)c(C)n1C1CCCCC1	743784273	GWAXUBDWBOQRBD-PXLXIMEGSA-N	409.574	4.935	50	20	HJGD	
O=C(NNC(=O)c1oc2ccccc2c1CSCc1ccccc1)NC1CCCC1	744059617	ZGYYWCLNSNOEAD-UHFFFAOYSA-N	423.538	4.753	50	20	HJGD	
CN(c1ccccc1)C1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1	744206724	YOBVPBOWMVRZRV-UHFFFAOYSA-N	418.521	4.601	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(-c2noc(C(F)(F)F)n2)cc1	748017610	GGCMBGDEUDEPQV-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc2noc(-c3ccc(F)cc3)c2c1	748659428	KKSXLTLJQGKBDR-UHFFFAOYSA-N	413.355	4.992	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)no1)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	750043573	JLISHJOZQCWEQJ-UUYOSTAYSA-N	406.417	4.818	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(CN2CCOCC2)c(Cl)c1	753123871	XPQCVJIGSDEFNL-QGZVFWFLSA-N	415.024	4.825	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(Br)cs1	753177430	YQRGQLTZFIVYHB-UHFFFAOYSA-N	404.127	4.592	50	20	HJGD	
CC(C)n1ncc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1-c1ccccc1	754255527	VMBODPIYJLIFGP-UHFFFAOYSA-N	404.392	4.787	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](C)c2nccs2)c(C)n1-c1ccc(F)cc1	754724513	VCPGRMIFNIAGBA-BGARDKSCSA-N	408.502	4.517	50	20	HJGD	
COC(=O)c1ccc(NNC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)nc1	759737422	BOXGPIIIYXEWIG-UHFFFAOYSA-N	422.293	4.660	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2F)c(C)n1CC(C)C	760240679	BZXFDPODNNJLAZ-ZJTXRKTBSA-N	414.452	4.761	50	20	HJGD	
N#Cc1c(F)ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)c1Cl	761748535	LCOJEOKULLTPTD-UHFFFAOYSA-N	407.832	4.547	50	20	HJGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	766290203	ULGVWXMGTOOPDR-BFNWDCHOSA-N	404.595	4.506	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3cnccc3C)c2C)cc1	771385754	YZWBMBUZUYBVBO-KOMLCTQHSA-N	414.509	4.591	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3cc(SC)ncn3)cc2)cc1	773174941	BHRDPCGQBKAQOQ-YBFXNURJSA-N	417.490	4.628	50	20	HJGD	
CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	773464967	BMBOFVOSIISWBP-JSGCOSHPSA-N	416.412	4.602	50	20	HJGD	
C[C@@H]1CCSCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773745435	BWJOYYHFWJAVNE-SNVBAGLBSA-N	404.426	4.637	50	20	HJGD	
N#Cc1ccc(-n2ccc(NC(=O)NNc3cccc(C(F)(F)F)c3)n2)c(Cl)c1	775722346	PZBIVOKXFKREKD-UHFFFAOYSA-N	420.782	4.565	50	20	HJGD	
N#CCc1ccc(OCc2ccccc2NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	776632433	HPUOGLVDJWQPDS-QNGOZBTKSA-N	409.445	4.583	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1[nH]c2ccc(Br)cc2c1Cl	777463195	IEYZFNJQZOZCKY-UHFFFAOYSA-N	415.678	4.889	50	20	HJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1cc(F)c(F)c(F)c1	777741668	YOGKNDHFTLUNHB-UHFFFAOYSA-N	403.384	4.550	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1oc(C(C)C)nc1C#N	781959310	YMRNXJSRIKARHL-UHFFFAOYSA-N	420.256	4.697	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=C2CC(c3ccc(Cl)cc3)C2)c1	783846460	OCZDSCARHWCWHW-UHFFFAOYSA-N	407.695	4.775	50	20	HJGD	
CC(C)c1ccc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c(C(C)C)c1	784384972	WWFADORESDNWOL-UHFFFAOYSA-N	418.881	4.577	50	20	HJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)NCc3cccc(Cl)c3)cs2)cc1	786055522	GGIGHTHCDFCRQV-YBEGLDIGSA-N	409.898	4.695	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2nc(-c3ccccc3F)cs2)cc1	787843703	NBZIGEQMCMOGMQ-LFIBNONCSA-N	407.470	4.571	50	20	HJGD	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NNc1cccc(C(F)(F)F)c1	789589257	MVJHQOPJQNCGON-UHFFFAOYSA-N	405.420	4.639	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(F)c(F)cc1C(=O)c1ccccc1	793851953	OBLKQYVYCMVLOU-UHFFFAOYSA-N	422.218	4.655	50	20	HJGD	
COC(=O)c1cc2c(/C=C(/C#N)C(=O)c3ccc4ncccc4c3)ccc(OC)c2o1	794885403	RHFWZBZNNDPOIT-YVLHZVERSA-N	412.401	4.566	50	20	HJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNC(=O)Nc2ccc(Cl)cc2)s1	802023206	JIBGGCSYEFHQNW-UHFFFAOYSA-N	400.891	4.547	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCC(F)F	809147075	JPRVBLCQNRWVIR-PXNMLYILSA-N	416.424	4.510	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(C(F)(F)F)nc2Cl)c(C(F)(F)F)c1	816702082	XLFXTRNUEOIJAY-UHFFFAOYSA-N	413.705	4.538	50	20	HJGD	
C[C@H](Sc1ccccn1)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014357	FBPOPZWEHCZXNJ-VIFPVBQESA-N	409.355	4.743	50	20	HJGD	
CCN(Cc1ccccc1)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1	857488215	CJRXASRGRUNZAG-UHFFFAOYSA-N	414.431	4.884	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(-c4nnco4)c3)c2C)c1	914573688	NZYIZWXEDBRDMS-CIAFOILYSA-N	423.476	4.998	50	20	HJGD	
O=C(NN=Cc1ccc(OCc2ccncc2)cc1)c1ccc(Cl)cc1Cl	915952174	AWFAMBDPOKYFSS-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2cc3ccccc3nc2Cl)cc1OC	916349046	VEIRPQHDPJHHQE-UHFFFAOYSA-N	411.889	4.840	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1OC	916496842	UOURIKSRBIYSKC-KRWDZBQOSA-N	415.559	4.511	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NNc1ccc(Cl)cc1[N+](=O)[O-]	918594902	GWMKNLDUCIAUNH-UHFFFAOYSA-N	423.281	4.711	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3cc4c(s3)CCC4)o2)c(C)n1C[C@H]1CCCO1	1117190543	VZEIUAAYYNFLIY-XLYVWGIVSA-N	420.538	4.948	50	20	HJGD	
CCN1CCC[C@H](CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	1251664911	SNWPXWUAJXMTRB-IUODEOHRSA-N	409.905	4.759	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1ccccc1Cl	1317716578	GPUGVMXGKWTMBJ-UHFFFAOYSA-N	421.715	4.964	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=O)c2ccccc2Cl)cs1	1323442031	JRXRDVZAYQDDOQ-UHFFFAOYSA-N	412.902	4.553	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788582999	ZGDKXEKDFNRINR-SFHVURJKSA-N	409.288	4.551	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2cccs2)n[nH]1	1814412772	BPUOTJDVZAMHDV-HSYXRWIHSA-N	420.966	4.584	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2F)CC1	1824609431	AKICNNWNDBIAOV-VQTJNVASSA-N	422.972	4.775	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(F)c2)CC1	1824616136	JASBTZXOYMCVBV-TZIWHRDSSA-N	422.972	4.775	50	20	HJGD	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NN(Cc2ccccc2)c2ccccc2)cc1	71945118	ALRHLRSROJJPDK-SFHVURJKSA-N	419.550	4.864	50	20	HJGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C(F)(F)F)c2C)no1	206152261	ZTANIVJCSQLLHT-YBEGLDIGSA-N	414.387	4.955	50	20	HJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1ccc(Br)s1)O[C@@H](C)C2	730435832	DBCNZOBSCAWTJA-FYTLYHSASA-N	404.285	4.632	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(O[C@H](C#N)CC)c2)c1C	733770930	LMIXARBCGZCOEJ-DZSAKIAFSA-N	418.541	4.809	50	20	HJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(O)c(Cl)c1	734096619	TVRHZZDZKFJCGU-UHFFFAOYSA-N	417.296	4.772	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c(C(N)=O)cc1F	736527614	PIAZSNALLWQHDY-WQRHYEAKSA-N	422.504	4.702	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)Cc3c(C)noc3C)c2C)c1	737664516	FFYXJXCMEJFTAB-QPNANDPSSA-N	416.525	4.662	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H](c1ccccc1)c1ccc(F)cc1	743628034	LPMIGYIMJSZQEZ-QHCPKHFHSA-N	413.452	4.713	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CCC#N)CC(F)(F)F)c(C)n1C1CCCCC1	748801858	CZZRTPWQPSXLDZ-LDADJPATSA-N	406.452	4.822	50	20	HJGD	
CCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753621154	FNFVBBPECMBTCQ-GFCCVEGCSA-N	404.426	4.984	50	20	HJGD	
COc1cc(C(=O)NNc2cccnc2Cl)ccc1OCc1ccccc1Cl	754475336	BRTLZZZLSWRTGU-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
Cc1ccc(-c2nc(CNC(=O)NNc3cc(C(F)(F)F)ccc3F)co2)cc1	754662422	NDGUNKYYVUCMRG-UHFFFAOYSA-N	408.355	4.634	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	765915952	PIOZNXKSIOJQKT-PKOBYXMFSA-N	418.335	4.558	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1cc(F)ccc1Cl	766262355	XLUYDTLBUNFKEC-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1	767083686	DAROIJNOAMKDOG-JTQLQIEISA-N	403.198	4.595	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	768903969	QCMKFDOQVNSIDN-NVXWUHKLSA-N	413.871	4.824	50	20	HJGD	
C[C@@H](CBr)COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1	770315521	FARRKDRSZSHFLN-HNAYVOBHSA-N	401.304	4.568	50	20	HJGD	
CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(CCCCl)cc1	776652540	NSIPKHXXMQXTKX-UHFFFAOYSA-N	409.935	4.552	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cccc(Br)n2)c(C)n1CC(F)(F)F	777915770	RJNWZGZOIFKLLG-KPKJPENVSA-N	412.209	4.615	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc3ccccc3o2)c(C)n1C[C@@H]1CCCO1	781805323	GCUUUVCGWNZRPL-ZVHMJPQNSA-N	419.481	4.637	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(/C#N)C(=O)c3cc4ccccc4o3)cnc12	783700187	QBBAHYPWFCEERA-AUWJEWJLSA-N	406.239	4.941	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	786042979	OKYWPBINZWFQEX-MHWRWJLKSA-N	423.321	4.935	50	20	HJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)Nc1ccccc1Br	787169355	NTXFQTQWMWZNIJ-AYMWWVTDSA-N	412.243	4.849	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccnc1OCc1ccccc1F	790778852	FNLUPBSCZVMOMR-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2sc(N3CCCC3)nc2s1	793711930	OOFGQBNNYXORPU-UHFFFAOYSA-N	412.462	4.734	50	20	HJGD	
Cc1sc(Br)c(C(=O)NNc2cccc(Br)c2)c1C	799705606	ZEEVHHWCSWEWPP-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
CC(C)(CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)CC(=O)c1ccccc1	799706294	AEEWREIUDRPEKI-UHFFFAOYSA-N	403.404	4.709	50	20	HJGD	
CO[C@H](C)c1nsc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)n1	800990303	QEYIWIYZTZHOFB-CJMVGXJBSA-N	421.526	4.507	50	20	HJGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	802044292	MEUBZAGUBMPZRQ-CQSZACIVSA-N	420.460	4.519	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1C	806554669	XJLUOHCSOQYLAQ-OQLLNIDSSA-N	400.862	4.528	50	20	HJGD	
C[C@@H](OCc1ccccc1)C(=NNC(=O)c1cc(-c2ccccc2)on1)C(F)(F)F	811637378	VBLVMHBOFGIZLG-CQSZACIVSA-N	417.387	4.595	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N	813047386	UTXWGBBMTYBZIG-MRXNPFEDSA-N	410.543	4.595	50	20	HJGD	
CC(C)(C(=O)NNc1cccc2cnccc12)c1csc(-c2ccccc2F)n1	815855719	FNPUCLIWKRSARB-UHFFFAOYSA-N	406.486	4.918	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc(-c2ccccn2)ccc1Cl	816485812	BAWOAVSOJUJJCW-UHFFFAOYSA-N	402.285	4.726	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)N(C)C)c2)c(C)n1C1CCCCC1	844148665	ZSTFVJYCYMRDBN-STZFKDTASA-N	418.541	4.858	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1C	914536481	YTIXNXJGFQJJIT-LUPSEXQWSA-N	419.569	4.784	50	20	HJGD	
CCOc1ccc(C(=O)NN=Cc2csc(-c3ccc(Cl)cc3)n2)cc1OC	916347912	RBFVQQFXNGTHNF-UHFFFAOYSA-N	415.902	4.635	50	20	HJGD	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)CCCC[C@@H]1CCSS1	916760119	HCVFEHUSPAKPET-MRXNPFEDSA-N	415.646	4.812	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N(C)C)c(Cl)c2)c1C	919851042	TXXJXEHGPHWZTR-ZNBBLSJYSA-N	414.937	4.577	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)nc1	1255390445	CSKAFQOTYPRQGA-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
CCc1cc(NNC(=O)c2ccc(-c3cccs3)s2)nc(-c2ccccn2)n1	1320027026	UOTLKSFHLDNVDQ-UHFFFAOYSA-N	407.524	4.648	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2nc(-c3ccccc3)oc2C(C)C)c1C	1333806865	VBGQYVKJULDIOP-UHFFFAOYSA-N	408.527	4.713	50	20	HJGD	
CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Br)CCC3)cc2)CC1	1789115500	UNYMOFLTINBFHP-RHSMWYFYSA-N	423.326	4.557	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)[nH]n1	1815324783	XJYBGVOIWRXUIG-DZKIICNBSA-N	422.982	4.675	50	20	HJGD	
CCCCOC(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2cccc(Cl)c2)n1	23739552	XWIZKWKSPMTXCW-NTEUORMPSA-N	403.891	4.731	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(Oc2ccccc2)cc1)c1cccc2cccnc12	64377407	IEVMUIXGEKCYSK-UHFFFAOYSA-N	414.490	4.659	50	20	HJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	303848885	DASVEOCKXYWVCS-AUWJEWJLSA-N	418.248	4.976	50	20	HJGD	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)NNc1ccc(Br)cc1	725882231	LDDUYWZLNKYDTP-UHFFFAOYSA-N	420.694	4.659	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc1	732123730	JQQLLRYATJXOTG-UYRXBGFRSA-N	421.497	4.656	50	20	HJGD	
CC(C)(C)c1nc(CC(=O)NNc2ccc(Br)cc2Cl)cs1	733807814	LVAYXFFTXUCTNK-UHFFFAOYSA-N	402.745	4.542	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(C(=O)NNc2nccc3sccc23)ccc1F	734248905	AMRQDOQRXVWKTI-UHFFFAOYSA-N	402.451	4.539	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cnn(-c4ccccn4)c3)c2C)c1	739655875	GCOLEDZHQDFEGO-FYJGNVAPSA-N	422.492	4.529	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ncc(-c3ccccc3)o2)c1C	741293583	CMPHWFXNSAFKHW-KOMLCTQHSA-N	419.481	4.618	50	20	HJGD	
CCC1(C)C/C(=C/c2cnn(CCCl)c2)C(=O)/C(=C/c2cnn(CCCl)c2)C1	751518220	RVFOVYIHNVOYQX-NCEWWTOFSA-N	421.372	4.803	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1cccc(Sc2ccccc2)c1	756475817	LNJSVNCZBGJKSK-UHFFFAOYSA-N	416.506	4.715	50	20	HJGD	
N#C/C(=C/c1ccc(Br)c(Br)c1)c1nnc2n1CCCCC2	757528784	ZKLCKFRBFOWYGN-WQLSENKSSA-N	422.124	4.594	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)cs1	757841450	XDFLBDVWIBVZFD-UHFFFAOYSA-N	414.261	4.705	50	20	HJGD	
O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=C1CCCC1	764745239	KFWSHAHQMLPKTD-UHFFFAOYSA-N	412.993	4.622	50	20	HJGD	
CSCc1ccc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	766261079	ZEYZQCRIYRQYSO-UHFFFAOYSA-N	418.733	4.592	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	766679368	YQQHXWVGFAQJNH-UHFFFAOYSA-N	421.429	4.591	50	20	HJGD	
CCC(=O)Nc1ccc(NC(=O)NNc2ccc(Br)cc2Cl)cc1	769958536	WNONPQBTXKGIQP-UHFFFAOYSA-N	411.687	4.600	50	20	HJGD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)NNc1c(Cl)cc(Cl)cc1Cl	769959636	NPVCYHHZQIGMHY-UHFFFAOYSA-N	415.708	4.806	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1ccc(Br)cc1Br	770198602	XOIMZQURKDFUAC-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccncc3)ccc2OC)cc1Cl	773906855	HDQLRBNFNGTSSF-PDGQHHTCSA-N	419.868	4.965	50	20	HJGD	
N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccccc1OC(F)F	775638737	GOAVFFZHLPBAJY-YRNVUSSQSA-N	423.169	4.749	50	20	HJGD	
C/C(=C\C(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1OC(F)F	779216823	KJLNSOYOKCRZNR-ZHACJKMWSA-N	402.319	4.733	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCc2c(ncn2-c2ccc(F)cc2)C1	781184960	PVAXBVJJFLXFDS-KRWDZBQOSA-N	405.564	4.610	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(CC#N)CC2)c(C)n1-c1cccc(Cl)c1	782053460	NHRZOLZEYHCPPX-MOSHPQCFSA-N	406.917	4.807	50	20	HJGD	
C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	782074082	VTCMKDUOTVFKSD-GFCCVEGCSA-N	417.444	4.653	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	786612258	ZMZQUPVGUFBRGH-KBXCAEBGSA-N	417.575	4.969	50	20	HJGD	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	787312237	WFDFVSDGOSNQCR-BKUYFWCQSA-N	409.445	4.697	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)c1	790808432	KYCWMMCWEZZGSB-UHFFFAOYSA-N	402.857	4.554	50	20	HJGD	
C=C(CBr)CN1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1	791542197	YCGCIZDKEAZAMS-HNNXBMFYSA-N	407.377	4.949	50	20	HJGD	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)c1ccc(C)o1	797736321	OYWFKFKLBQZNIK-UHFFFAOYSA-N	422.268	4.577	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1Cc2ccccc2CO1	805138200	ZZOFFZDXDYYJQX-UHFFFAOYSA-N	401.378	4.980	50	20	HJGD	
C[C@H]1C[C@@H](C=NNC(=O)c2ccc(Cl)cc2Cl)CCN1C(=O)OC(C)(C)C	807956803	BZFHFMUTGQKVCE-STQMWFEESA-N	414.333	4.745	50	20	HJGD	
Cn1ccc([C@@H](NCc2ccc(OCCCCl)cc2)c2ccc(Cl)cc2)n1	811490287	OLIFVFIYMXPSGA-NRFANRHFSA-N	404.341	4.960	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Br)c1cccc2ncccc12	811642009	VULWCGYWZHPNIR-UHFFFAOYSA-N	422.204	4.780	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cccc(C2SCCS2)c1	813047027	MQHQVZMTCJCMEJ-UHFFFAOYSA-N	415.584	4.679	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cc(C)cc(C)c2)c1C	855634647	MZOGEXGDVIDEFJ-UOIFGXKSSA-N	407.514	4.609	50	20	HJGD	
Cc1nc2ccccc2nc1S[C@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	912966103	FIJLBXUZBSDXDQ-NJZDQMEHSA-N	404.520	4.941	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1C	914833388	DRCUNEHIPBVQSZ-UHFFFAOYSA-N	406.555	4.685	50	20	HJGD	
CS(=O)(=O)c1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	918155727	IYHNNDCOBSZKDO-XYOKQWHBSA-N	408.426	4.783	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(C)n1C[C@H]1CCCO1	918590228	ZSDZILRXJFREFE-SKLLGERMSA-N	409.574	4.618	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2cc(F)ccc2F)c1C	918817702	IQAKHHANIGGTMJ-WRGQDFSISA-N	402.441	4.802	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccccc2N2CCCC2)c(C)n1CC(C)C	919744816	KFNFUJCVKAZROW-IWIPYMOSSA-N	418.585	4.927	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC2(c3ccccc3C)CCOCC2)c1C	919877481	IHLNEVLRPAWHIN-KQWNVCNZSA-N	419.569	4.595	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3cccc(Br)c3)s2)cc1	932486726	FMDDSXOADNSXOX-UHFFFAOYSA-N	418.316	4.647	50	20	HJGD	
C[C@H](CC1CCCCC1)C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	1318564788	PNGYXDUWNYJXPP-QGZVFWFLSA-N	415.559	4.537	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cn3)cc2)CCC1	1789732162	OEHLHHRVOMOYDQ-KRWDZBQOSA-N	420.340	4.890	50	20	HJGD	
CC/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CBr)CCC2)cc1	1792061836	OOQUIPLMUYTSJW-HVJNQHDOSA-N	407.352	4.508	50	20	HJGD	
Cc1cc(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c1	1824014723	WAURIRSYLKAWQG-OAQYLSRUSA-N	419.009	4.802	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)CC1	1830005432	BIUFNLSVIFEXBL-NHCUHLMSSA-N	404.982	4.554	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCN(C(C)(C)C)CC3)c2C)cc1	302949672	DLABLJKUUJMRQH-JWGURIENSA-N	418.585	4.689	50	20	HJGD	
COc1ccc(NC(=S)NNC(=O)c2sc3cccc(C)c3c2Cl)cc1F	727499919	XDLVCTVJHDJSNM-UHFFFAOYSA-N	423.922	4.642	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)Cc3ccc4ccccc4c3)cc2)oc1C	727839302	GBRDCHFSZINLFI-UHFFFAOYSA-N	414.465	4.507	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2nc(-c3ccccc3)no2)n1	728080353	FIFSMXJCKMLUHO-UHFFFAOYSA-N	423.523	4.551	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)cc1OC(F)F	730437146	ZROOXDOHPCLGLD-UXBLZVDNSA-N	414.227	4.910	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1csc(Cc2ccccc2F)n1	735516632	SJTNTMVATNZAET-UHFFFAOYSA-N	412.877	4.832	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c1C	739781901	UCGAATJZEVYKBE-RSZPVBOMSA-N	402.498	4.954	50	20	HJGD	
Cc1ccc(-c2ocnc2C(=O)NNc2ccc(Br)cc2Cl)cc1	743335072	LPETUICCQHGKQM-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
Cc1cc([C@@](C)(O)CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c(C)o1	743515644	OPOGNDWSNVMICC-BAZHDFBLSA-N	423.557	4.751	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c(C)n1CC(C)C	744692558	PHMYVUJVSAQCOS-QNDYCBLQSA-N	415.541	4.731	50	20	HJGD	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNc3ccccc3F)cc12	748057127	HGOYJOFDEWIWHM-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2[nH]c3ccccc3c2Br)cc1C(F)(F)F	748628749	GDLWOVNLURFVFZ-UHFFFAOYSA-N	423.192	4.578	50	20	HJGD	
C[C@@H](CCC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1	750537793	ZTJNDEUNQGCDLF-SFHVURJKSA-N	423.538	4.514	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccnc2-c2ccccc2)c1C	755157349	HCXRYTDCNLSKFB-OVBDPADQSA-N	414.509	4.920	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1csc(-c2ccc(Cl)cc2)n1	755855320	VPXSBBFRURRJBN-UHFFFAOYSA-N	404.826	4.696	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2oc3ccccc3c2COc2ccccc2)c1	759310080	CQSNYMRRQXDUEE-UHFFFAOYSA-N	406.413	4.916	50	20	HJGD	
COC(=O)Nc1cc(C(=O)NNc2c(Cl)cccc2Cl)cc(C(F)(F)F)c1	763613422	WWHNZTXKHUBFFV-UHFFFAOYSA-N	422.190	4.947	50	20	HJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc(F)c(Cl)c1	763835737	DZEFRISKTCVFCO-UHFFFAOYSA-N	401.849	4.925	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1	766752133	PKIXMFNKLUZNTQ-GFCCVEGCSA-N	422.106	4.896	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1cccc(NC(=O)c2ccoc2)c1	769992940	GOXMEUVXQHBLHH-UHFFFAOYSA-N	420.347	4.579	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H](Sc1ccccc1)c1ccccc1	773619514	HXNOAQQEEWKOFA-HXUWFJFHSA-N	410.470	4.589	50	20	HJGD	
C[C@](CO)(NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1	777959904	JEJICXDUYDHHGU-OAHLLOKOSA-N	417.421	4.530	50	20	HJGD	
COc1cccc(C(=O)c2ccc(C(=O)NNc3ccccc3C(F)(F)F)cc2)c1	780308100	QLOFFFROLXBBRH-UHFFFAOYSA-N	414.383	4.702	50	20	HJGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1	783042685	GIRIQKDOKCIJMI-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
C[C@H](NC(=O)COC(=O)CCCC[C@H]1CCSS1)c1ccc(Cl)cc1	786594729	AMCPOALNZVHGAY-BBRMVZONSA-N	401.981	4.775	50	20	HJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)Nc3ccccc3C(F)(F)F)sc2c1	788686762	BICQFYBEAJGJJM-FLIBITNWSA-N	403.385	4.869	50	20	HJGD	
O=C(CCCCCNC(=O)NC1CCCCC1)NNc1cc(Cl)cc(Cl)c1	791714725	YWLKVSOSMRLALG-UHFFFAOYSA-N	415.365	4.629	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cn(-c2ccccc2)nc1-c1cccnc1	791733990	ZQGJKXWBZXCUBC-UHFFFAOYSA-N	424.291	4.998	50	20	HJGD	
CSc1cccc(COC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	797043142	MHEVHQHYYLMPNW-HNLWVNFGSA-N	410.539	4.656	50	20	HJGD	
C=CCC(C)(C)CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	817457592	USGQYPYQXZULFC-AQTBWJFISA-N	421.932	4.743	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1C	914768117	QJFOKLNJZVWZFO-PDGQHHTCSA-N	420.513	4.736	50	20	HJGD	
Cc1ccc(CNC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)s1	918255560	LGZICAIYQPMYIA-OAHLLOKOSA-N	422.881	4.531	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1oc2c(C)cccc2c1C	919693046	ZQMHVZSXORNYGP-UHFFFAOYSA-N	405.479	4.556	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c1C	920033823	XFEMTVUBWYRZAQ-ZDUSSCGKSA-N	409.477	4.834	50	20	HJGD	
C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1786287470	BRCNWGCSJGBAKM-KDOFPFPSSA-N	420.937	4.836	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccc4[nH]3)CCC2)cc1	1786444864	XECBMDWNOZHKMG-QGZVFWFLSA-N	424.932	4.718	50	20	HJGD	
C[C@]1(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Br)CCC3)cc2)CC=CCC1	1791992989	ZAIODOKZVIRVFU-LPHOPBHVSA-N	423.326	4.557	50	20	HJGD	
Cc1cc(C)cc(-c2nnc(S[C@@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)o2)c1	8174194	VPVLYTJGVFKRDD-AWEZNQCLSA-N	417.494	4.676	50	20	HJGD	
Cc1c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)sc2cccc(F)c12	15809903	AVJMIXLSVPKESN-UHFFFAOYSA-N	424.453	4.596	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1C	207218386	HLURIVBBEHWKRS-GYXHFJGISA-N	413.905	4.646	50	20	HJGD	
Cc1ccc(-c2nnc(SCC(=O)/C(C#N)=C3\Nc4ccccc4S3)o2)cc1	211225721	BCXSGWNSACEAED-XMHGGMMESA-N	406.492	4.659	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl	727799826	UIIFTVQHIMWTOV-NWDGAFQWSA-N	418.107	4.865	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2)c2nccs2)c1C	728848819	DVWZSWMZUOSMIF-UKQGIEBLSA-N	404.539	4.784	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccccc3F)no2)c1C	732830245	ZMPLOAFBWWTUJS-ZNBBLSJYSA-N	422.460	4.652	50	20	HJGD	
Cc1ccccc1[C@@H](O)CNC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	732832355	OJEMCJALARMWAD-ZBXXMNEPSA-N	405.542	4.675	50	20	HJGD	
O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NNc1ccccc1	734266183	NQGAMKHXBJXUIW-UHFFFAOYSA-N	401.445	4.505	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)c(C)n1CC(C)C	734350351	MPQDRIYVJSVESZ-VVIXHQMUSA-N	419.569	4.952	50	20	HJGD	
Cc1ccc(F)c(C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1	734977462	UCNNDMVGYGUOSO-UHFFFAOYSA-N	408.502	4.597	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(Cl)ccc2OC[C@H]2CCCO2)cc1	743058731	LQZMDKCIWLUISH-BAOGCXAUSA-N	417.914	4.545	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(Cc3ccccc3)no2)c1C	744560124	YCGIQJGTLGQXRY-ALDSOSFCSA-N	418.497	4.700	50	20	HJGD	
O=C(NCCc1cc2ccccc2o1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	745834562	PFRQBDVHYVKDQN-UHFFFAOYSA-N	414.465	4.678	50	20	HJGD	
O=C(NNc1ccccc1F)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	748049093	QXUWPLYOCPFODY-UHFFFAOYSA-N	401.781	4.937	50	20	HJGD	
Cc1ccc(-c2cncc(C(=O)NNc3ccc(OCC(F)(F)F)cc3)c2)cc1	748695694	PYKRNGCLHIWSDC-UHFFFAOYSA-N	401.388	4.755	50	20	HJGD	
COc1cccc(COc2cccc(Cl)c2C=NNC(=O)CC2CCCC2)c1	749446759	KAQWISWJDJZDRS-UHFFFAOYSA-N	400.906	4.958	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	750039527	PLNDRCNRIIVYAQ-UUYOSTAYSA-N	419.460	4.563	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1Cl	753307046	ZTPVIAXGWXUCTM-UHFFFAOYSA-N	406.804	4.916	50	20	HJGD	
CC(C)(C)N1C[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1=O	762966314	OOANAENXCQRLAB-LLVKDONJSA-N	401.401	4.865	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F	768903971	QCMKFDOQVNSIDN-RDJZCZTQSA-N	413.871	4.824	50	20	HJGD	
O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NNc1ccnc(Br)c1	771559996	BKLAMKIZWTXSFM-RJRFIUFISA-N	420.616	4.673	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cnc(Cc2ccccc2F)s1	773469797	TYGOTQILQBCFBV-UHFFFAOYSA-N	420.307	4.701	50	20	HJGD	
C[C@H]1CCSCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773745432	BWJOYYHFWJAVNE-JTQLQIEISA-N	404.426	4.637	50	20	HJGD	
Cc1c(NC(=O)NNc2ccc3ccccc3n2)cnc(Cl)c1Br	775775717	AQEHSCMBLDHIBR-UHFFFAOYSA-N	406.671	4.503	50	20	HJGD	
O=S(=O)(NCC1(O)CCCCCC1)c1cccc(S(F)(F)(F)(F)F)c1	777964047	GBZBVXSCMUDMBW-UHFFFAOYSA-N	409.442	4.708	50	20	HJGD	
CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	779390654	AVBUADANRHAIKA-GHMZBOCLSA-N	424.794	4.683	50	20	HJGD	
Cc1ccnc(Oc2ccc(NC(=O)NNc3ccccc3OC(F)(F)F)cc2)n1	779437585	LBQVGUBVVGRVSS-UHFFFAOYSA-N	419.363	4.625	50	20	HJGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)Nc1nc(-c2ccncc2)cs1	787169983	SLTSCLBCWFSWRN-QWGLIZDWSA-N	417.450	4.605	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)c(-c2ccncc2)n1	788349514	LHBLZFHJEWPEFQ-RVDMUPIBSA-N	422.275	4.955	50	20	HJGD	
O=C(NN=Cc1cc(Br)c(Cl)s1)c1cc(-c2ccccc2)on1	790155743	QSDJAMWHOYLHOQ-UHFFFAOYSA-N	410.680	4.583	50	20	HJGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1	791926012	YKWXCKPPBJUQJT-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cnnn1-c1c(Cl)cccc1Cl	795144942	BFZNHUJMLOCINS-UHFFFAOYSA-N	417.083	4.638	50	20	HJGD	
N#Cc1ccc(NNC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F	801929860	WTRMBGLUUPIUEQ-AWEZNQCLSA-N	405.273	4.750	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1Oc1ccccc1	806672689	KURQMNBPFIYWLA-INIZCTEOSA-N	414.465	4.708	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3CCC[C@@H]3C(C)(C)C#N)cc2)n1	814702087	LYHKMAZVGABCJI-IBGZPJMESA-N	421.570	4.821	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1	817912063	ZDKOBXDKFYNSNI-UHFFFAOYSA-N	406.442	4.564	50	20	HJGD	
Cc1ccccc1-n1ccnc1S[C@@H](C)C(=O)C(C#N)=C1Nc2ccccc2N1	914528144	YEBULOFSTDUWCN-HNNXBMFYSA-N	401.495	4.503	50	20	HJGD	
C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1	915845189	ZOLHOXQQQYQVIP-HKWRFOASSA-N	412.493	4.536	50	20	HJGD	
CC(C)c1ccc([C@H](NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)C(C)C)cc1	915930736	ICNWHOQTNAPDAQ-HSZRJFAPSA-N	406.530	4.562	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=Cc3ccccc3)c3ccccc3n2)cc1OC	916343824	ISFCATIHTUAFND-UHFFFAOYSA-N	411.461	4.683	50	20	HJGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1ccc2c(c1)Nc1ccccc1S2	916346730	RDFLQXNOJFUNKJ-UHFFFAOYSA-N	419.466	4.539	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)cc1	918577046	UOUBOPQAZRVUPC-VMTJQQBPSA-N	417.553	4.683	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(N3CCOCC3)c2)c(C)n1CCC(C)C	918671669	SYRGYXIIXLRQGA-PXLXIMEGSA-N	420.557	4.533	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CSC3CCCC3)cc2)CCC1	1786348691	YMOBWFVRALRLCZ-SFHVURJKSA-N	408.995	4.814	50	20	HJGD	
CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Br)CCC3)cc2)CC1	1789115501	UNYMOFLTINBFHP-WMLDXEAASA-N	423.326	4.557	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccccc3)CCC2)cc1	1790488882	LXYHXOZIBNDOEN-PWRODBHTSA-N	410.945	4.942	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1845166422	SWFDZFJRRLKDAL-SFHVURJKSA-N	419.437	4.957	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OCc1ccccc1	6209541	KARQENJYRLAJRV-XSFVSMFZSA-N	400.482	4.656	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NNC(=S)Nc1cc(Cl)cc(Cl)c1	15151881	IIGPHAZFOAJDMU-UHFFFAOYSA-N	418.346	4.633	50	20	HJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	726158029	WNIMQPJWYZOAHN-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2cnnc3ccccc23)cc1OCC	733811842	MWVYENPJGQCFAX-UHFFFAOYSA-N	414.893	4.618	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3ccn(C(C)C)n3)c2C)cc1	735123076	DMSGIBSTBBCYSG-DEDYPNTBSA-N	418.497	4.531	50	20	HJGD	
CN(C[C@@H]1CCCN1C(=O)CCCC[C@H]1CCSS1)C(=O)OC(C)(C)C	742882373	HKRXBSWVJRSSLD-HOTGVXAUSA-N	402.626	4.558	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1ccccc1OC(F)F	743547735	FVXALCYDDJLDMO-GOSISDBHSA-N	413.424	4.537	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(N3CCOC3=O)c2C)c1C	743787946	SVBPGILHJRDXKZ-XSFVSMFZSA-N	420.513	4.716	50	20	HJGD	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NNc2cccc([N+](=O)[O-])c2)c1	748006037	XIXGVCRBUWGSPQ-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2ccc(Br)cc2F)s1	748188722	FJKAFQRXKZIRGP-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cncc(-c2ccc(Cl)cc2)c1	748726795	SHPOPSVCIRWTGZ-UHFFFAOYSA-N	403.225	4.721	50	20	HJGD	
Cc1cc(-n2c(C)cc(C(=O)NNc3ccc(Br)cc3Cl)c2C)no1	748776143	OXNPXNOJSHRFIN-UHFFFAOYSA-N	423.698	4.563	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1ncoc1-c1cccc(C(F)(F)F)c1	752633996	FRKKQPDNPPZSGH-UHFFFAOYSA-N	401.388	4.996	50	20	HJGD	
Cn1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c(-c2ccccc2Cl)n1	754151152	YEDZAJBGBKEZJL-UHFFFAOYSA-N	412.774	4.655	50	20	HJGD	
O=C(NN=Cc1nc(-c2ccccc2)cs1)c1ccc(COc2ccccc2)o1	755580667	FKISYFWESJAAAM-UHFFFAOYSA-N	403.463	4.746	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2ccccc2-c2cccs2)c2ccccc2n1	755581854	JTNDSJCAPBVDHY-UHFFFAOYSA-N	402.479	4.738	50	20	HJGD	
O=C(COc1cccc(NC(=O)NNc2ccccc2Cl)c1)Nc1ccccc1	769972251	WDMSXUVVTPGPQY-UHFFFAOYSA-N	410.861	4.506	50	20	HJGD	
O=C(NN=Cc1ccc2ccc(Br)cc2n1)c1ccc(Cl)cc1F	771559650	JVQJKCONNBCQMI-UHFFFAOYSA-N	406.642	4.554	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773146308	WLNQQRNUNGAWKY-AUWJEWJLSA-N	403.310	4.959	50	20	HJGD	
CCOC1CC(CCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773733324	VSZFBUGQIIMHNI-UHFFFAOYSA-N	416.412	4.604	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2cccc(C(F)(F)F)c2)ccc1-c1ccccc1	773739322	DZNGFKAVERKBFP-UHFFFAOYSA-N	413.399	4.763	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	775242958	BTBDCJFFXHRFQV-UHFFFAOYSA-N	417.231	4.895	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1c(C)nn(Cc2ccccc2)c1Cl	777477185	FRLFGHUOXBJJNN-UHFFFAOYSA-N	405.889	4.507	50	20	HJGD	
N#Cc1ccccc1Oc1ccccc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	778392061	ISZDVLFJKMDWEZ-UHFFFAOYSA-N	422.366	4.998	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2coc(-c3ccc(Br)cc3F)n2)c1	778931773	AQYHGEJYGJIDKB-UHFFFAOYSA-N	404.239	4.617	50	20	HJGD	
COc1ccc(NNC(=O)Nc2ccccc2SCc2ccccc2OC)nc1	782056105	LECWIRUPQYKXBO-UHFFFAOYSA-N	410.499	4.540	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCc2ncsc2C1	782699067	DXMGNDLRFQYFED-ZDUSSCGKSA-N	407.870	4.953	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc1Br	782821000	GMOYBGCHVBMPNC-UHFFFAOYSA-N	424.298	4.566	50	20	HJGD	
COc1ccc(C=O)cc1OS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782973331	BOZBAQDIAICDDO-UHFFFAOYSA-N	418.361	4.933	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1cccc(-c2cccs2)c1	783367556	FTOMJABYRIHCOW-UHFFFAOYSA-N	406.294	4.804	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccc(F)c(F)c1	786053795	OSRTUJZKGLGCLZ-ZSOIEALJSA-N	415.852	4.965	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1	787278046	ADCXJMXJIWQUPW-UHFFFAOYSA-N	423.275	4.957	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)ccc1Cl	790188977	MPKGFIMGLBNIFT-UHFFFAOYSA-N	405.285	4.561	50	20	HJGD	
CCc1c(C(=O)NNc2ncc(Cl)cc2Cl)cnn1-c1ccccc1Cl	790908919	LXJLJNWOYCKCFC-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2cc(-c3ccccc3)ccc2Cl)c1	791949140	CECJQSILRMUKHB-UHFFFAOYSA-N	415.902	4.559	50	20	HJGD	
COc1ccc2cc(NC(=O)C(=O)NN(c3ccccc3)c3ccccc3)ccc2c1	806990410	DLYOMDXEJMFDQM-UHFFFAOYSA-N	411.461	4.656	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(Oc2cccnc2)cc1	807619533	ZNOMWNVVURMBQG-CQSZACIVSA-N	414.412	4.863	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)c2ccccc12	807622726	GHHGJKZXXSJISB-ZJRYTYELSA-N	409.505	4.587	50	20	HJGD	
C[C@H]1C[C@H](C=NNC(=O)c2c(Cl)cccc2Cl)CCN1C(=O)OC(C)(C)C	807968625	ARNOLWKNMVUPQW-QWHCGFSZSA-N	414.333	4.745	50	20	HJGD	
Cc1cnc(Br)c(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	813002592	YJDNBLNMUKJGCF-UHFFFAOYSA-N	411.303	4.896	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csc(NC2CC2)n1	817016407	SXMKVCKUYQVXOB-UHFFFAOYSA-N	410.343	4.512	50	20	HJGD	
Cc1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	849205774	QOTQUBXVYKAPOJ-CIPMJJFUSA-N	407.514	4.547	50	20	HJGD	
CCCN(Cc1ccc(F)cc1)C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	914505785	IIMULEGVRGFGJZ-MGSPXPDISA-N	423.532	4.769	50	20	HJGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2sc(Oc3ccccc3)nc2Cl)c1	915942244	NSYXRKZHNGRTAP-UHFFFAOYSA-N	415.902	4.735	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1	916599371	OIBBPZVHEAPMAC-ZROIWOOFSA-N	404.249	4.725	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(O)c3c(C)c(C)sc3n2)cc1	916615294	RDYXQCKKXUEHRZ-RKPNYOAGSA-N	423.494	4.624	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)[C@@H](C#N)c3nc(C)cs3)c2C)cc1	916843962	OLZSHBISAZVAJG-BYHQVZLYSA-N	400.507	4.951	50	20	HJGD	
CN(CCCOc1ccc(F)cc1)CCP(=O)(c1ccccc1)c1ccccc1	917104752	VQHDWRHRAQGIDF-UHFFFAOYSA-N	411.457	4.541	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CC(F)(F)F)cc1C	917551708	UGQGKMBZIAMHAW-UHFFFAOYSA-N	400.404	4.559	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc1	918585134	OEVRXYNWOGUWJN-ZOLHPDHPSA-N	417.553	4.541	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1ccc(C(C)(C)C)nn1	1116096555	WGHBQXJCKQKZDN-UHFFFAOYSA-N	407.952	4.678	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC(=O)c1ccccc1Cl	1116118660	PSHHQYTYTUAJTG-UHFFFAOYSA-N	401.297	4.619	50	20	HJGD	
Cc1csc(CCC(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)c1	1786863757	WCLRRRMOHBVYDI-GOSISDBHSA-N	408.926	4.658	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Br)CCC2)cc1	1789625755	XREJSXJSIANPNQ-OAHLLOKOSA-N	421.379	4.896	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1	1824629219	WOJDFGFQBSKSSR-IRXDYDNUSA-N	420.972	4.695	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1C	6966629	XYVWMJKVQRVRLK-UHFFFAOYSA-N	416.506	4.743	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2)cc1	207829936	DZCOHHLJAMUNPQ-ZHZULCJRSA-N	411.461	4.802	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1cc(-n2cccn2)ccn1	303820285	XMRYAZMXBYWUGV-INIZCTEOSA-N	412.824	4.739	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)NCc1ccc(Cl)cc1	729307145	JKDJZYVOYYXKSY-CZUORRHYSA-N	401.981	4.602	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccccc1C(=O)c1ccc(Cl)cc1	734248743	UZROZSFIJLFLIG-UHFFFAOYSA-N	407.882	4.938	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNc3cc(F)c(F)cc3F)cc12	734554571	GPKCNVXCIPSBAU-UHFFFAOYSA-N	420.391	4.709	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)cc1C	738556522	VPAIIDWVTQFMBR-AWEZNQCLSA-N	409.477	4.834	50	20	HJGD	
CC[C@H](Cc1cccc(Br)c1)C(=O)NNc1cccc(C(F)(F)F)n1	740137883	LKROPPXFMLMSRB-GFCCVEGCSA-N	416.241	4.575	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](COCc3ccccc3)C2)c1C	742013731	CVPNNKRDNAZRDZ-JKJLQIMHSA-N	419.569	4.877	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	744502181	NKPXNOXIIFAKRP-GRRFOWRYSA-N	403.265	4.779	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Cc1cccc2ccccc12)c1ccc(-c2ccncc2)cc1	746424431	CTKHXLVUJZZFOB-SFHVURJKSA-N	424.504	4.536	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	747522197	GGOLVJBVWUTLKM-UHFFFAOYSA-N	420.416	4.604	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cc(-c3ccccc3)on2)cc1OCCC(C)C	747611055	IMGSAZIVYHLPGL-UHFFFAOYSA-N	407.470	4.539	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)c1	759319877	YLZAOUJCLDKCMX-UHFFFAOYSA-N	412.465	4.593	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)ccc1NC(=O)CC(C)C	761584725	LYTNXKWQRNMBMG-UHFFFAOYSA-N	409.408	4.635	50	20	HJGD	
O=S(=O)(NC[C@H]1CCCCN1C1CC1)c1cccc(S(F)(F)(F)(F)F)c1	766208101	VPOWAPVMWPDRLC-CYBMUJFWSA-N	420.469	4.639	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2cc3cc(Br)ccc3[nH]2)cc1	768613394	ZESWPUWILKKHLX-SXGWCWSVSA-N	424.298	4.552	50	20	HJGD	
CC(C)(C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1	768929713	OJIJEYMSWJPFJS-UHFFFAOYSA-N	415.868	4.654	50	20	HJGD	
CN(C)C1CCN(c2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2)CC1	774843336	PAXJWVNQOHLNEK-HXUWFJFHSA-N	407.649	4.870	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)NNc3ccc(Cl)c(F)c3)cccc21	779018776	SFGOTCBZQAJVEW-UHFFFAOYSA-N	419.884	4.924	50	20	HJGD	
O=C(NNc1ccccc1Br)c1csc(-c2ccc(F)c(F)c2)n1	780657335	QFQBXGNSHPPMGM-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
CCC1(C(=O)NNc2ccc(C(C)(C)C)cc2)CCN(C(=O)c2ccccc2)CC1	781356566	PXVNZBWVRWVSOQ-UHFFFAOYSA-N	407.558	4.760	50	20	HJGD	
O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NNc1ccc(OC(F)F)cc1	787464475	OTAIBBXCROXRET-UHFFFAOYSA-N	423.872	4.675	50	20	HJGD	
Cc1cccc(NNC(=O)c2cc(I)c(Cl)cc2Cl)c1	787867039	MBPXAFWLQJVDGS-UHFFFAOYSA-N	421.065	4.663	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211480	SLFDEEXACDIPOC-UHFFFAOYSA-N	406.795	4.502	50	20	HJGD	
C[C@@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H](O)c1ccccc1	808947677	JHAIDJTWPSYJPV-IAQYHMDHSA-N	424.391	4.521	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1	901385420	WQKFHNUOXYVTJY-AOHITCTBSA-N	410.424	4.614	50	20	HJGD	
O=C(NN=Cc1ccccc1OCc1cccnc1)c1cc2c(s1)CCCCC2	915956650	XZAVXCMISBWFAI-UHFFFAOYSA-N	405.523	4.755	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NNc1ccc(F)cc1	916162697	DVKIDWAEEGYGML-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
N#CCCn1cc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)n1	916278134	BOPUMLMMVFYBRG-UHFFFAOYSA-N	415.541	4.520	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)COc1ccccc1-c1ccccc1	916295167	NBTHYTUWMDSSHP-UHFFFAOYSA-N	424.504	4.685	50	20	HJGD	
CCOc1ccc(C(=O)NN=Cc2c(OC(F)F)ccc3ccccc23)cc1OC	916347744	JXYQDEXOSUETDZ-UHFFFAOYSA-N	414.408	4.612	50	20	HJGD	
CC(C)(C)C(=O)NNC(=O)c1ccccc1SCc1ccc(Br)cc1	918584359	HKHXZUROWRVFPV-UHFFFAOYSA-N	421.360	4.549	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1csc(COc2ccc(C)cc2)n1	920064867	MACVEXYRGBLLLL-SFQUDFHCSA-N	419.506	4.975	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]ccc4n3)cc2)CCC1	1789269123	GKOSFCOQNYMXTI-QGZVFWFLSA-N	424.932	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4[nH]3)cc2)CCC1	1789370118	ILNCQMKLHUKXGM-HNNXBMFYSA-N	415.946	4.995	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(Cl)(Cl)Cl)CCC2)cc1	1790487976	BPFHOKXCASVOPD-LBPRGKRZSA-N	412.144	4.508	50	20	HJGD	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](Br)CC)cc2)CCC1	1791363655	KTRAZMVXLCTTKW-RHSMWYFYSA-N	407.352	4.506	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1	1806163120	JWXXDKSFCNOIOR-GOSISDBHSA-N	411.373	4.592	50	20	HJGD	
CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](Cl)CC)[nH]n2)cc1	1820644852	WIHBERDUDBKSHM-IEBWSBKVSA-N	416.953	4.686	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2ccc(C)c(C)c2)c1C	24160293	FIJGCIUDCMHQTG-SNLHJCLZSA-N	422.525	4.651	50	20	HJGD	
CN(Cc1c(Cl)cccc1Cl)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727847340	XVHGNYDWYPBMQW-UHFFFAOYSA-N	421.111	4.787	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)n1	730208356	CIZUPCQWMNBGSK-GOSISDBHSA-N	417.296	4.664	50	20	HJGD	
CN(CCC#N)c1ccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)cc1	730439489	MLTKVLNUAGHRHX-SDNWHVSQSA-N	400.301	4.650	50	20	HJGD	
CC(C)(C)n1cc(C=NNC(=O)Cc2ccc(F)cc2)c(-c2ccccc2Cl)n1	731151001	KOPDEYMAAFJWFV-UHFFFAOYSA-N	412.896	4.790	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c1C	732159428	JLAIKMJROKBCOT-BKUYFWCQSA-N	422.492	4.733	50	20	HJGD	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	733771693	RKOWDQFXWHTRJP-HIFDDZRDSA-N	418.541	4.665	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)ccc1OCc1cccs1	734483921	OQMFOPUSZYPVCC-UDWIEESQSA-N	418.518	4.868	50	20	HJGD	
COC(=O)N(C)Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1	735254346	MAGQDYXACQUZBU-MTJSOVHGSA-N	422.529	4.505	50	20	HJGD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)NNc1c(F)cc(F)cc1Br	741979096	XWFRRJZSAMYIOB-UHFFFAOYSA-N	414.637	4.548	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F	743296525	CHYBWJDHMXQKBO-VIFPVBQESA-N	421.297	4.879	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	745994761	QRCGGARDHQCWPZ-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1C	747128120	OQFZHEJJEQDADC-POEBIKTISA-N	415.541	4.970	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NNc1ccc(Cl)cc1Cl	748018486	CUZVHOKKOQYLIG-UHFFFAOYSA-N	409.704	4.957	50	20	HJGD	
Cn1c2ccccc2c2cc(C(=O)NNc3ccccc3Br)sc21	748065522	DPPIINMHSQOBBV-UHFFFAOYSA-N	400.301	4.912	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNc3ccccc3Br)c2)cc1	748066045	MUBCJXAQBQYLOA-UHFFFAOYSA-N	408.255	4.870	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccccc1	750660278	AYEVNPJBSMNYJJ-SWEXZPIWSA-N	412.445	4.537	50	20	HJGD	
O=C(Cc1cc2c(ccc3ccccc32)o1)NNC(=S)Nc1cccc(Cl)c1	753278670	LAPOLDJMLUTNBP-UHFFFAOYSA-N	409.898	4.800	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CN(C)C(=O)OCc1ccccc1	756631406	JQDFCTJXSDJMEV-UHFFFAOYSA-N	411.527	4.592	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1	756887931	XGGBZEPTQWETJM-OAQYLSRUSA-N	422.529	4.552	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn(CCC(C)C)c1CC	757596278	MDFLAQPJNCWZFB-UHFFFAOYSA-N	407.356	4.573	50	20	HJGD	
CC(C)(C)CN(CCCO)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762654963	JGQZEUADOQZMBO-UHFFFAOYSA-N	418.428	4.540	50	20	HJGD	
O=C(NC[C@@H]1CCCCS1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762678720	FXVGBYMLNYBPGF-NSHDSACASA-N	404.426	4.684	50	20	HJGD	
CC1(C)OCc2cc(C=NNC(=O)COc3ccccc3-c3ccccc3)ccc2O1	766008054	QVCGNVQSFXBXEF-UHFFFAOYSA-N	416.477	4.528	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1	768248222	GFFGQQKLHRBPAI-AQTBWJFISA-N	407.474	4.569	50	20	HJGD	
COC[C@H]1CCCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	768372891	YRHYTBBFCGHBEX-LBPRGKRZSA-N	416.412	4.558	50	20	HJGD	
CCS(=O)(=O)C1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	770655270	VADKRNCEDVNVAE-UHFFFAOYSA-N	422.441	4.775	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C	772824610	UPVMWTPFBUMFAM-UHFFFAOYSA-N	421.501	4.857	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cc(Cl)ccc1N1CCSCC1	775587364	ZFLKWGNVMNOKLL-UHFFFAOYSA-N	413.934	4.590	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(Br)cc1C(F)(F)F	777463789	RTANMSQTYWPSBJ-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
CC(C)N1CCC(N(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	777864186	DRXDWLIAQBOECR-UHFFFAOYSA-N	422.485	4.837	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1	780804045	ZOGIMZVVQGWEHH-UHFFFAOYSA-N	409.917	4.604	50	20	HJGD	
O=S(=O)(Nc1cnc2c(c1)COCC2)c1ccc(S(F)(F)(F)(F)F)cc1	782930354	KDTVLWADMBHYSJ-UHFFFAOYSA-N	416.393	4.613	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCOC[C@@H]1c1ccco1	782984118	YBZNRNUKGNHRBI-CYBMUJFWSA-N	419.393	4.699	50	20	HJGD	
C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)NNc3ccccc3Cl)c2)C1	784776363	BHPASORWSPJIAZ-QAPCUYQASA-N	415.921	4.517	50	20	HJGD	
COC[C@H](OC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C)c1nccs1	785542497	DIOLYIXABLMILV-SRKIZSPNSA-N	421.522	4.697	50	20	HJGD	
CCOCCOc1ccc(Cl)cc1NC(=O)NNc1ccc(Cl)c(OC)c1	788598155	JHZQMBUJUJUYGD-UHFFFAOYSA-N	414.289	4.566	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(Oc2ccccc2Cl)cc1	790579763	QEXUNSGAIYQWRN-UHFFFAOYSA-N	401.781	4.937	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)cc2)cs1	799631030	VWXDUFVWKAOFCJ-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	799756851	KDZDSIVQUIMSEN-UHFFFAOYSA-N	413.880	4.757	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccsc1	802394193	JTXXZLWAOHXQOH-HNNXBMFYSA-N	416.506	4.669	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)N(C)CC)c2)c1C	805445027	GAOUOQVOXVLLCB-STZFKDTASA-N	406.530	4.543	50	20	HJGD	
CN(C)c1ccc(N2CCC(NCc3ccc(OCCCCl)cc3)CC2)cc1	811482887	WAXNNUWGYRMLSK-UHFFFAOYSA-N	401.982	4.519	50	20	HJGD	
ClCCCOc1ccc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1	811496021	UEDFSWDHYQJPMA-FQEVSTJZSA-N	419.953	4.699	50	20	HJGD	
N#Cc1ccc(OC2CCN(Cc3ccc(OCCCCl)cc3)CC2)c(F)c1	811506493	VSVYBZIXXODBEG-UHFFFAOYSA-N	402.897	4.748	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)sc2ccc(C#N)cc12	816569924	BHOZQGRXTFRKNS-UHFFFAOYSA-N	400.385	4.729	50	20	HJGD	
COc1ccc(NNC(=O)C[C@H](c2ccccc2)C(F)(F)F)c(C(F)(F)F)c1	816702080	XLDPWKNFSWKXFD-CYBMUJFWSA-N	406.326	4.893	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)c1C	825747253	SUUSLEUITDODLE-WVWKGNOCSA-N	413.949	4.825	50	20	HJGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1OCc1ccccc1	884208622	GLEWMTRMONOBFX-OEAKJJBVSA-N	419.502	4.754	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nncs2)c(C)n1-c1cccc(C(F)(F)F)c1	895790362	JSMULDLJVVXQHW-AUWJEWJLSA-N	417.416	4.510	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(N2CCCCC2)cc1	916301835	HTPNZUNEOCNZMR-UHFFFAOYSA-N	410.568	4.529	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)Cc3ccc(Cl)cc3)c2Cl)cc1	916350892	OQEHXUKGGPFJRB-UHFFFAOYSA-N	415.324	4.548	50	20	HJGD	
CN(Cc1ccc(Cl)s1)C(=O)COC(=O)CCCC[C@@H]1CCSS1	916436523	BHHJAJNJLUOJLW-GFCCVEGCSA-N	408.010	4.617	50	20	HJGD	
CN1/C(=C/C=NNC(=O)c2ccc(F)cc2Br)C(C)(C)c2ccccc21	917549723	ARHJCZFWHXWQGL-TVLRJAPGSA-N	416.294	4.615	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OC(F)F)c1ccc(F)cc1Br	917549956	NBLXAFNTBNLSQM-UHFFFAOYSA-N	421.600	4.607	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1c(Cl)nc(Cl)n1-c1ccccc1)c1ccccc1	920065509	SZCGCSTXPICTQI-IZCBMXNHSA-N	411.292	4.963	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCCN1Cc1ccncc1	1116033133	RZWOHSBLUOGFPL-MRXNPFEDSA-N	413.736	4.540	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	1317705744	MRROGTJDJRUNLP-UHFFFAOYSA-N	422.828	4.682	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c[nH]nc4c3)CCC2)cc1	1786443297	GMEVEPCTSQRWLD-LJQANCHMSA-N	424.932	4.718	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3ccsc3)cc2)CCC1	1788187129	LGXSAQHSRVMSLO-GOSISDBHSA-N	404.963	4.832	50	20	HJGD	
CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)cc1	1790323375	QJTITPNSCPAJEY-UHFFFAOYSA-N	424.617	4.848	50	20	HJGD	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Br)CCC2)cc1	1790452482	CQOQCUUHZWHTLI-QGZVFWFLSA-N	411.315	4.557	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)c(F)c2)n[nH]1	1820495516	KIZABVVCGDZLQT-YJBOKZPZSA-N	420.916	4.571	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1	1830308270	OXMZMBOSVYIUNU-PMACEKPBSA-N	416.949	4.684	50	20	HJGD	
N#C/C(=C\c1c(OC(F)F)ccc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1	7165207	GLRPWWUSIQIJKA-RVDMUPIBSA-N	408.360	4.685	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCc1nnc(-c2cc3ccccc3o2)o1	726141408	ISCGADFMQFMEHO-UHFFFAOYSA-N	407.382	4.546	50	20	HJGD	
O=C(NCc1cccc(C(F)(F)F)c1)NN=Cc1cnc(-c2ccccc2)s1	727256962	AJQKIMARTJFDBN-UHFFFAOYSA-N	404.417	4.662	50	20	HJGD	
Cc1cc(NNC(=O)c2cccnc2SC(F)(F)F)ccc1Br	734252952	HQCVNZBAOFSVON-UHFFFAOYSA-N	406.227	4.521	50	20	HJGD	
CCc1cc(NNC(=O)c2ccccc2Nc2ccccc2)nc(-c2ccccn2)n1	734356846	KWHLFPYETUWBBM-UHFFFAOYSA-N	410.481	4.602	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1ccccc1OCc1ccc(Cl)cc1Cl	735688311	NAHYHOHIWRPQCY-UHFFFAOYSA-N	423.687	4.773	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@H](Cc1ccccc1)c1ccccc1F)c1ccccc1	741092460	CFANNEQRGNAVIT-NZQKXSOJSA-N	419.500	4.634	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1occc1COc1ccccc1	741981321	BDKNUNMHINUKIZ-UHFFFAOYSA-N	423.213	4.656	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ncc(C(C)(C)C)s2)c1C	742807555	HQKHGMYCUQZHJC-KDVQLTRESA-N	400.548	4.612	50	20	HJGD	
O=C(NNC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1cccc2ccccc12	743630239	QKQVTYZEIVETLQ-LJQANCHMSA-N	412.493	4.555	50	20	HJGD	
O=C(NNc1ccccc1Br)c1ccc(-n2cnc3ccccc32)cc1	748059845	FKVUJKIZUVRDRB-UHFFFAOYSA-N	407.271	4.545	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cn(-c2ccc(Cl)cc2)nn1	748669408	HXBFSNRRUCCRRV-UHFFFAOYSA-N	411.918	4.871	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748718059	OFIFRZJTVNKXNJ-UHFFFAOYSA-N	406.826	4.576	50	20	HJGD	
Cc1nn(-c2ccc(C(=O)NNc3ccc(Cl)cc3)cc2)c(C)c1Br	749274146	GZIHKPUQAMJKOB-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
Cc1noc(C)c1COc1ccccc1C(=O)NNc1cc(Cl)ccc1Cl	752812970	OBZUESNIYFKAPG-UHFFFAOYSA-N	406.269	4.934	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1nc(-c2ccccc2F)oc1C	753177308	XCGLCJQBVHQIJX-UHFFFAOYSA-N	418.266	4.871	50	20	HJGD	
Cc1ccnc(NNC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)c1	755840029	MPCNSYCUADWNOG-UHFFFAOYSA-N	420.542	4.818	50	20	HJGD	
O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)Nc1cccc(-c2ncco2)c1	757770576	NNJCSRYWLVZVEN-UHFFFAOYSA-N	422.441	4.676	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@@H]1CCc2ccccc2C1	762649184	QJKOZZVEOXMPOV-OAHLLOKOSA-N	420.403	4.956	50	20	HJGD	
O=P(CCN1CC[C@H](c2c(F)cccc2F)C1)(c1ccccc1)c1ccccc1	769229016	SUHWTMHJDMMMIT-IBGZPJMESA-N	411.432	4.768	50	20	HJGD	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NNc1nccnc1C(C)C	770203629	CGOWKDXLXWTXST-UHFFFAOYSA-N	419.489	4.701	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	771538457	ZKSJAYNTBSRPTN-UHFFFAOYSA-N	422.204	4.685	50	20	HJGD	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1	775556146	IWDXGCCNQDIYKE-UHFFFAOYSA-N	418.419	4.668	50	20	HJGD	
C[C@@]1(C(=O)O)CCCC[C@@H]1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776637908	ICEBMKDLAUMXAK-GXTWGEPZSA-N	423.425	4.656	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cncc(Cl)c2Cl)c1C	778076765	ALKBAOMWBPIJAF-CJTQKWKHSA-N	407.301	4.560	50	20	HJGD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H](Br)C(C)(C)C	781068883	RMKHPGHGHHDTBK-AWEZNQCLSA-N	424.166	4.590	50	20	HJGD	
CSc1ccccc1CN(C)C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	791898522	AWBPGYROTMSNST-MUIAGPEESA-N	423.582	4.571	50	20	HJGD	
OCC1CCN(Cc2cccc(NCc3ccc(OCCCCl)cc3)c2)CC1	811469468	IJVQGRCMAFOENU-UHFFFAOYSA-N	402.966	4.511	50	20	HJGD	
CCOc1ccc(NNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	815816360	SKFFMNLMPIOWFX-UHFFFAOYSA-N	403.442	4.583	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1ccccc1Nc1ccc(OC(F)F)cc1	817007204	QSLPLAMXVKXHSO-UHFFFAOYSA-N	404.804	4.837	50	20	HJGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)c3ccc(OCCC(C)C)cc3)sc2n1	874065516	RJHGUJTUEBSJLA-UHFFFAOYSA-N	410.543	4.805	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(Br)c([N+](=O)[O-])c3)n2)cc1	915862664	NNUHWZGHJOUSSY-ZSOIEALJSA-N	411.215	4.780	50	20	HJGD	
Nc1ccc(C(=O)NN=Cc2c(Cl)cccc2OCc2ccccc2Cl)cc1	917532611	NBHGSOVHOPTGMY-UHFFFAOYSA-N	414.292	4.919	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC(C)C)c2)c(C)n1C[C@H]1CCCO1	917701043	QMVYGMQRVJNCLL-MVQVQHCTSA-N	421.541	4.864	50	20	HJGD	
Cc1ccc(NNC(=O)CC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1Cl	1339911290	ZGHVLVFKIWFIJS-ZXFUBFMLSA-N	407.942	4.660	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)CCC1	1788432685	AZCNCBMMDJXVOS-IBGZPJMESA-N	424.932	4.718	50	20	HJGD	
C[Si](C)(C)OCC(=O)Nc1ccc(C2(NC(=O)/C=C/C3CCCC3)CCC2)cc1	1789649709	IMBNURGOKBMSMM-NTEUORMPSA-N	414.622	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccco3)cc2)CCC1	1791913130	WRIXIHWHGKJYPU-BEFAXECRSA-N	402.922	4.610	50	20	HJGD	
Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)cc1C	1824014410	MZDMHBZUKVLRBE-NRFANRHFSA-N	419.009	4.802	50	20	HJGD	
Cc1cccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1832548296	VJAFYANYYYDNMB-IBGZPJMESA-N	422.972	4.632	50	20	HJGD	
COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)C(C)C)cc1OC	44027157	HEBSLXJUMBCAPL-UDWIEESQSA-N	415.493	4.748	50	20	HJGD	
COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)c3ccccc3)cc2OC)cc1	211391429	BBRPPQCKAXLPMZ-ZHZULCJRSA-N	413.429	4.713	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1	213359868	IAEXWUGKLMXIHO-QNGOZBTKSA-N	412.445	4.598	50	20	HJGD	
CCCN(C(=O)NNC(=O)CCCc1ccccc1)[C@@H](C)c1cc2ccccc2o1	727845698	XLZHBJFIGWCYMQ-SFHVURJKSA-N	407.514	4.970	50	20	HJGD	
Cc1ccccc1-c1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1	729643984	MSXHXCHNIXTPPS-CJLVFECKSA-N	409.489	4.910	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccn(-c4ccncc4)n3)c2C)cc1	733769599	JFJOGTJQHVZPRZ-QNGOZBTKSA-N	422.492	4.529	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3c(F)cccc3F)o2)cc1	734368201	PXDBZQXJDFUYOJ-KAMYIIQDSA-N	407.376	4.729	50	20	HJGD	
Cn1nc(-c2ccccc2)c(C=NNC(=O)Cc2ccc3ccccc3c2)c1Cl	734745990	MNBQEVVHYYRZEB-UHFFFAOYSA-N	402.885	4.587	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)c1C	738507464	ORKOSSOSUPPCDZ-ZDUSSCGKSA-N	409.477	4.519	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1C	740944052	MEXTVQJBCSHFNQ-LZOLKVDOSA-N	420.340	4.579	50	20	HJGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNc2c(F)cc(F)cc2Br)s1	742708796	NSGYAICJSQIKNS-SNAWJCMRSA-N	416.291	4.638	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)NCCCCC2CCCC2)c(-c2ccccc2)n1	742879801	OZJWCRYDAUSGQT-OQKWZONESA-N	415.541	4.847	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1csc(-c2ccccc2Cl)n1	748032495	JTJIJDANQTUPPY-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
CCCc1nc(C(=O)NNc2ccccc2C(F)(F)F)nn1-c1ccccc1Cl	748707228	YLXKEOSZMAESRF-UHFFFAOYSA-N	423.826	4.649	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(Oc2cccc(Cl)c2Cl)nn1	749274507	SHCNGPLAOOCNNX-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
COc1cc(Cl)c(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1Cl	753889106	LKCQPVFPLAWRKE-KPKJPENVSA-N	413.268	4.577	50	20	HJGD	
CC[C@H](C(=O)NNc1ccc(-c2ccccc2)nn1)c1cccc(C(F)(F)F)c1	754469421	AFQPQTGBVSWGEV-KRWDZBQOSA-N	400.404	4.799	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)Nc3cccc(Oc4ccncc4)c3)cc2C1	756545368	LZBDQNZSSJUGIU-AWEZNQCLSA-N	422.510	4.527	50	20	HJGD	
O=C(Cn1ncc2ccccc2c1=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762520276	ZPWBQCDGRQCVBL-UHFFFAOYSA-N	405.348	4.693	50	20	HJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1ncccc1C(F)(F)F	765545026	YZULPDKVSDDXGI-UHFFFAOYSA-N	420.218	4.717	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCC2CCN(C3CC3)CC2)c(C)n1C1CCCCC1	770768450	VYFQVLSNJIPOOW-PXLXIMEGSA-N	408.590	4.508	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1	772833217	HLWYRZSZPICBDF-UHFFFAOYSA-N	416.407	4.514	50	20	HJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1	775732361	DCSLQFSBOACURW-RAEBXZQASA-N	405.242	4.665	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccccc3OC(F)(F)F)c2C(C)C)cc1	779210074	WGVKAUNIHMYIPS-UHFFFAOYSA-N	418.419	4.960	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(C(F)(F)F)c2)cc1OC	780147107	JWURPNSOFCVMAV-LFYBBSHMSA-N	410.779	4.922	50	20	HJGD	
COc1cccc(C(=O)c2ccc(C(=O)NNc3cc(Cl)ccc3Cl)cc2)c1	780950623	KTSNFRXEIQIBDQ-UHFFFAOYSA-N	415.276	4.990	50	20	HJGD	
CC(C)COc1ncc(C(=O)NNC(=S)Nc2ccccc2C(C)C)cc1Cl	783047788	RLWNUVMCBLHCQU-UHFFFAOYSA-N	420.966	4.525	50	20	HJGD	
O=C(/C=C\c1cccs1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783460550	DCWROFODJJPKAC-BAQGIRSFSA-N	419.418	4.924	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1	785995338	YNLXCPJBJSOQLU-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
Cc1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1C(=O)N1CCCCC1	786191378	HZGNXLVBSPVASW-UHFFFAOYSA-N	404.873	4.562	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1nccn1CC(F)(F)F)c1ccc(Cl)cc1Cl	787179445	UPNIPTVKNDQDDP-OYUORYAFSA-N	417.218	4.537	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)ccc1Cl	788592946	POFRKTAZXZFBKV-UHFFFAOYSA-N	400.744	4.657	50	20	HJGD	
C[C@@H]1COCCC1=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	794456790	RCYCELHBLFOFMA-CQSZACIVSA-N	411.552	4.731	50	20	HJGD	
Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NNc2ccccc2Cl)o1	796990418	WBLQGIFSGISDMZ-UHFFFAOYSA-N	404.253	4.644	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ncnc(Cl)c1C(C)C	798142701	VSNDECSUGCWHJL-UHFFFAOYSA-N	424.263	4.766	50	20	HJGD	
Cc1c(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)nnn1Cc1ccncc1	803109194	NNQPLQBEAUFSEG-UHFFFAOYSA-N	419.379	4.940	50	20	HJGD	
CC(C)(Sc1ccc(Br)cc1)C(=O)NNc1nccnc1C1CCC1	805475005	JRAGCTIIUCGVRJ-UHFFFAOYSA-N	421.364	4.521	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1NCCC1=CCCCC1	807507410	ORUIIYUVFRPICI-UHFFFAOYSA-N	402.498	4.587	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc3sccc3c2)c(C)n1C[C@@H]1CCCO1	811589378	KDQCZCWXOHJCAO-ZAAFRKLLSA-N	419.550	4.722	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813493708	KTNNZSGONOKRTN-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1C	914512185	KHVHYXOSGIMZFR-YVVITCHPSA-N	417.553	4.727	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)ccc1OC(C)C	915852101	KPWGVIAUWSZNTR-GDNBJRDFSA-N	422.872	4.625	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2-c2noc(C)n2)c1C	915867446	YTUCMOMUDHEXCR-UYRXBGFRSA-N	403.486	4.809	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC(=O)c1ccc(Cl)cc1Cl	915953159	RIQIGCJDAURDKC-UHFFFAOYSA-N	423.250	4.838	50	20	HJGD	
COc1cc(-c2cc(C(=O)NN=C(C)C(C)C)c3ccccc3n2)cc(OC)c1OC	916274817	UKUZRKACALOZLV-UHFFFAOYSA-N	421.497	4.689	50	20	HJGD	
CCCCn1nc(C)c(C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1Cl	916336342	CGDKRGUYLLBFMH-MRXNPFEDSA-N	412.921	4.716	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3)c(F)c2)c1C	917783789	QDBASEZSIVEVTR-BRLDDBHUSA-N	424.520	4.597	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cc(C#N)n1C	919866577	YKUSUNMLZPUOLF-CXUHLZMHSA-N	408.889	4.726	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc([S@@](C)=O)cc3)c2C)c1	1116135010	AMSPKAQTQNRVOK-OECYOIFVSA-N	417.534	4.686	50	20	HJGD	
Cc1ccc(NNC(=O)c2cn(-c3ccc(Br)cc3)nc2C)cc1Cl	1320339742	CZZXTXJPSIEGAC-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
CC(C)c1noc(CCNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n1	1338783865	QRGDZOAGIYYNRD-CQSZACIVSA-N	422.860	4.777	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(Cl)c2)n[nH]1	1823192077	NCGUUEDTZZERPO-RDJZCZTQSA-N	423.344	4.695	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc3ccccc3s2)c(C)n1C[C@@H]1CCCO1	6387939	UZEIIIJKNASPQJ-MVDPLZLPSA-N	421.522	4.544	50	20	HJGD	
CC(C)CNc1nnc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)s1	23226942	RDGHIFNSIMIHGY-VFJWTBQQSA-N	417.585	4.609	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccc(-n2cnc3ccccc32)nc1	143657086	DTGLHQRCSMIYKY-QGZVFWFLSA-N	412.584	4.751	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccccc3n2C)cc1OC	209645572	SVOIJAWSBRNGPI-GDNBJRDFSA-N	424.298	4.973	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C	302893120	WSIWPQUFDQBRBP-DUPVFGOHSA-N	416.319	4.621	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1COc1ccccc1	727794868	UHLOYNNHFODZCS-UHFFFAOYSA-N	415.276	4.647	50	20	HJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)c1	730435550	CJFSKRJVAZDRAA-UVTDQMKNSA-N	401.285	4.983	50	20	HJGD	
Cc1cc(NNC(=O)c2cccc(Oc3nccs3)c2)ccc1Br	736680141	AJCBVPHXMRSASM-UHFFFAOYSA-N	404.289	4.763	50	20	HJGD	
COC(=O)C(C)(C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	741641956	QYQXBIPDNDBOCH-DEDYPNTBSA-N	421.541	4.757	50	20	HJGD	
CN(C)Cc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1	742005050	IRKAHPJOSPPWGT-UHFFFAOYSA-N	417.134	4.574	50	20	HJGD	
CC(C)(CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1F	743577034	DMXBTXQDIRSEJY-UHFFFAOYSA-N	420.488	4.806	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1F)c1ccccc1C(F)(F)F	748190551	DXBQPBODFVEKKD-SECBINFHSA-N	405.189	4.854	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1ccc(F)c(F)c1F	750611596	KZEKFUXCCHZQIX-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2c(F)cccc2Cl)c1C	752380429	OYURLUBBLHOIKM-CXJPLEHTSA-N	417.912	4.889	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2cc(F)cc(F)c2)c(C)n1C[C@H]1CCCO1	755400322	QPUIMYIVJKYQHR-QEXYSKTASA-N	414.452	4.774	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)CCCc2csc3ccccc23)cc1	755629104	GHSGLZQQEZJKMW-UHFFFAOYSA-N	413.568	4.641	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1ccc(SC2CCCC2)cc1	755736365	DVRSFRPYQCVIOX-UHFFFAOYSA-N	406.511	4.736	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1ccc(OC2CCCC2)c(Cl)c1	756202688	CHEUGUGFGLBZIH-UHFFFAOYSA-N	424.888	4.676	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2OCC(F)F)c1C	762385037	FPRKEWBTTHMSAS-ZNBBLSJYSA-N	417.456	4.502	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1F	766261837	MTEJSNHENYWJRL-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2ccccc2Br)s1	775882637	YAOFOIMUUAQCRM-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1	776655873	GQRNGPAGDBBSTM-SSQLKXLMSA-N	408.523	4.519	50	20	HJGD	
COC(=O)c1sccc1OS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777935659	RTNYRKHZNIFRNI-UHFFFAOYSA-N	424.390	4.960	50	20	HJGD	
Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777952182	KPXODEWFLCDWPO-VIFPVBQESA-N	420.425	4.858	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	787148487	QYIZNFYKFHRKBE-LGMDPLHJSA-N	417.852	4.844	50	20	HJGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)o1	787178133	OBVOWOLFKVQRBQ-SERMCNLOSA-N	407.253	4.547	50	20	HJGD	
Cc1cccnc1NNC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C	791222171	BWRYLSHVFWKHFU-UHFFFAOYSA-N	418.881	4.562	50	20	HJGD	
Cc1cccnc1NNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1	791224694	FQWZYHBDCJASEQ-QHCPKHFHSA-N	402.523	4.643	50	20	HJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@]2(CCOC2)O1	797642753	LUHJJBNKMBCZCJ-NHYWBVRUSA-N	402.385	4.756	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cc(F)cc(Cl)c1	801505172	OXJNHDZHEMNNSM-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1OC	809146721	TTYNMNDDSSXESL-PXNMLYILSA-N	400.272	4.873	50	20	HJGD	
NC(=O)Cc1ccc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	809889238	VMSLCFWIHWEAHU-UHFFFAOYSA-N	409.380	4.694	50	20	HJGD	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(OCCCCl)cc3)ccc21	811494686	UASQNTFAUTYZPF-UHFFFAOYSA-N	411.933	4.889	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@H]1c2ccccc2CC12CCOCC2	812562709	CKVGRAYDCKWOIC-SFHVURJKSA-N	406.313	4.714	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2cccc(OCc3cccs3)c2)cc1C	812720664	AIUHNKMWSGQVKZ-UHFFFAOYSA-N	410.495	4.569	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2nc3ccccc3n2C)cc1OCC	816578488	FCCIYXGJLVZTEN-UHFFFAOYSA-N	416.909	4.561	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccccc1SCc1ccco1	827063835	KKGKPXMVZMRQIN-UHFFFAOYSA-N	416.502	4.729	50	20	HJGD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	916063722	DEBLYQZQMPHAGY-LPYMAVHISA-N	420.557	4.707	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1Br	916359825	BDZGYDHUIBOVMP-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)o2)cc1	917620076	RDHBDIKXTOFWEB-CYVLTUHYSA-N	415.497	4.618	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccc(Br)cc2)c1	918320267	CYAURCYVQAXEBE-UHFFFAOYSA-N	406.280	4.553	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccsc3)CCC2)cc1	1786012013	WWSJKPNGWKTYNN-UHFFFAOYSA-N	404.963	4.690	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1	1791324306	WCSDXNJISIUOKX-YLAKUSLOSA-N	402.966	4.964	50	20	HJGD	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](Cl)CCC)n[nH]1	1815315342	WSAZVUWOAYKJHD-DOTOQJQBSA-N	408.974	4.802	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2csc(COc3ccc(OC)cc3)n2)cc1	141388005	ZKQZFGOLPOYECD-ATVHPVEESA-N	419.506	4.839	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C	731332115	DIXMYUDHKTYJIL-PNWWAVQQSA-N	422.554	4.691	50	20	HJGD	
Cn1cnnc1SCc1ccc(C(=O)NN=C2CCC[C@@H](C(C)(C)C)CC2)cc1	746558189	IENGJNMUVZEREL-GOSISDBHSA-N	413.591	4.820	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1OC	747600835	WSEFEDWGUSEQEU-UHFFFAOYSA-N	402.800	4.913	50	20	HJGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)C(=O)Nc1nc(-c2ccncc2)cs1	747691516	VXZVFNRROFIXFW-CPNJWEJPSA-N	409.474	4.813	50	20	HJGD	
Cc1c(C(=O)NNc2cccc3cnccc23)cnn1-c1cccc(C(F)(F)F)c1	748758760	AQGQKQASKLLFPZ-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)c1	752519350	PTBLZTJAZCJBRZ-UHFFFAOYSA-N	418.566	4.977	50	20	HJGD	
CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	752631964	SNWIUHSSUZGUDT-XHDPSFHLSA-N	424.872	4.713	50	20	HJGD	
O=C(NNc1ccccc1Br)c1ccc(Cl)c(Br)c1	753659203	KZGIBRIRKUFCBO-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(OC(F)F)c(F)c1	754714635	VZUFSQZOALUCCQ-UHFFFAOYSA-N	405.401	4.623	50	20	HJGD	
Cc1ccccc1COc1cccc(CC(=O)NNc2nc(C(F)(F)F)cs2)c1	755858142	MHPJNQPHPCAFKO-UHFFFAOYSA-N	421.444	4.735	50	20	HJGD	
Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1ccc(CCCl)cc1	755982200	JGOXNRBWACQQSE-AWEZNQCLSA-N	400.997	4.738	50	20	HJGD	
CC(C)(C)Sc1ccc(NC(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1	756316928	GSEGDNGGQITOEO-UHFFFAOYSA-N	409.458	4.645	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2SC)c1C	756996695	KTHAGJOUDXTHHU-RYFGYPJOSA-N	411.571	4.566	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@H]1Cc2cccc(O)c2C1	759483706	RUTRRSRDRBVMCP-MEDUHNTESA-N	416.852	4.900	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1	759644352	RAYZSFSASMSNDR-DEDYPNTBSA-N	414.509	4.537	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccc(OCc2cccs2)c1	761588446	NQBOIBRKDVBPSD-UHFFFAOYSA-N	408.401	4.983	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc(-c2nc(=O)o[nH]2)cc1	762817113	CDBNOTNPSZXMIL-UHFFFAOYSA-N	407.320	4.940	50	20	HJGD	
Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@H](Br)C(C)(C)C	767333562	VEMKMCQJOBEQBN-GUYCJALGSA-N	409.368	4.615	50	20	HJGD	
CC(C)C(=O)Nc1ccc(CNC(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	768026642	JJTWOZHJYVZKKR-UHFFFAOYSA-N	413.280	4.553	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCOC4(CCC4)C3)c2C)cc1	768397343	NJRBYVRULIHRTP-AMUNLKFJSA-N	403.526	4.527	50	20	HJGD	
CCc1c(C(=O)NNc2cc(Cl)ccc2Cl)cnn1-c1ccccc1OC	769605748	NWNOMEDJAXDCEQ-UHFFFAOYSA-N	405.285	4.507	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)O[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(-c2ccccc2)n1	771011667	UCGDURZKOVJNSD-NZFJOXBRSA-N	414.509	4.883	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cccnc1Oc1cccc(Br)c1	771688368	HTXXKYWAZFSNMZ-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(Cl)cc2C(F)(F)F)c1C	771722568	HVLQXRBHYGYYAR-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	776065918	KJYHOIKERPEZIQ-BZNIZROVSA-N	408.873	4.705	50	20	HJGD	
O=C(O)c1c(F)cccc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782909691	BLTWLGDIBJTBTD-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	787509840	INEQACOBSWFVJV-CKDIWJPDSA-N	414.305	4.738	50	20	HJGD	
Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)NNc1cccc(C(F)(F)F)c1	788721965	YFBAWLXFGKUUOM-UHFFFAOYSA-N	411.334	4.533	50	20	HJGD	
CCc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)cnn1-c1ccccc1OC	791718893	DINBGXKPXUVDBA-UHFFFAOYSA-N	405.285	4.507	50	20	HJGD	
CCCN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1	792863343	VGIBKOBLKCZYBB-FQEVSTJZSA-N	411.684	4.608	50	20	HJGD	
N#C/C(=C/c1cc2c(cc1Br)OCO2)C(=O)c1ccc2ncccc2c1	794883344	ANOPCLJEQNORJN-CHHVJCJISA-N	407.223	4.516	50	20	HJGD	
O=C(Cc1cc2ccccc2o1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804209402	YJQREBUDSGCMSS-UHFFFAOYSA-N	412.371	4.594	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cc2cc(F)ccc2[nH]1	804211719	WVJZMPJQXCHKFS-UHFFFAOYSA-N	415.350	4.540	50	20	HJGD	
CCN(C)C(=O)c1cccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	806775624	IFWNNJHHTZKASS-UHFFFAOYSA-N	402.498	4.522	50	20	HJGD	
COc1c(NCc2ccc(OCCCCl)cc2)cc(Cl)cc1C(=O)N(C)C	811504773	QJPSUWVRXQVMSX-UHFFFAOYSA-N	411.329	4.670	50	20	HJGD	
CC(=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1csnn1	814713334	LQAKEHRWILFGQD-UHFFFAOYSA-N	407.886	4.561	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)c1C	855634646	MZOGEXGDVIDEFJ-IAFWPLRWSA-N	407.514	4.609	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)nn2Cc2ccccc2)c1C	893915386	AKCSADXVWAEGOK-HMAPJEAMSA-N	401.514	4.614	50	20	HJGD	
CCCc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1	914463291	STCQQJCTBMYZDM-PGMHBOJBSA-N	409.493	4.962	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(Cl)cc3cccnc23)c1C	914882127	HSARYCKHVQNBFY-VXLYETTFSA-N	423.900	4.603	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC[C@@H](N2CCCC2)C1	916677275	VJYKHSBFJDMXSH-CJNGLKHVSA-N	421.916	4.998	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)Cc1ccc2ccccc2c1	917195370	KBILRGXUQFFFJN-UHFFFAOYSA-N	416.452	4.562	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2OC)cc1OC	921257172	PNEWKPWGIOETAF-UHFFFAOYSA-N	411.285	4.563	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCCC2)cc1)c1nc(O)c2cc(Br)ccc2n1	1317911026	ZPRVXPIHAZPACR-PTNGSMBKSA-N	421.298	4.762	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCC3(F)F)CCC2)cc1	1790487681	JWNORLBBJRLKRQ-IAGOWNOFSA-N	412.908	4.963	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3)c(C)c2)c1C	25972504	WKCJJHIDLZFRTL-VZMFNRANSA-N	420.557	4.767	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)c2ccc(Br)cn2)c1C	206824070	BTEWLKYDYSFMNJ-GZTJUZNOSA-N	415.335	4.633	50	20	HJGD	
Cc1ccccc1-n1cnnc1S[C@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	209293972	OXNAWDDHBDDRPX-MYKQLWFJSA-N	419.535	4.578	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccccc2N2CCCC2)c1C	302762719	LRJZOYBUDHQQAF-KQWNVCNZSA-N	404.558	4.681	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C1(c2cccc(C(F)(F)F)c2)CC1	303532530	ROLLSLAFBHOFGN-UHFFFAOYSA-N	422.794	4.584	50	20	HJGD	
CSCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	727343356	ARJNLFIADPUZKE-ZRELAVNMSA-N	409.555	4.693	50	20	HJGD	
CCC(CC)(NC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1	729227842	RLYAMZYPVLGXDN-UHFFFAOYSA-N	419.312	4.525	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1	730588390	XCUOAXGTBLNZQG-CVEARBPZSA-N	424.353	4.513	50	20	HJGD	
O=C(NN=Cc1ccnc2ccccc12)c1cc(-c2ccncc2)nc2ccccc12	731315101	WAPVNVFUWGURIE-UHFFFAOYSA-N	403.445	4.609	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)c(C)n1CC(C)C	736490066	AGNHCPIKXZDGLG-CVHFWEDTSA-N	420.557	4.532	50	20	HJGD	
COc1sc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1Br	746521108	DVRUADMDBOMQKK-QPEQYQDCSA-N	405.317	4.990	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccccc1Br	748066177	MCBKLICTPCMQDB-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1nc(-c2ccccc2)n2c1CCCCC2	748655744	AVQDFEWKOYNVFA-UHFFFAOYSA-N	412.440	4.635	50	20	HJGD	
COC(=O)c1cc2c(/C=C(\C#N)C(=O)c3c(C)[nH]c4ccccc34)ccc(OC)c2o1	748994583	OUPVSZDEOATIMS-XNTDXEJSSA-N	414.417	4.808	50	20	HJGD	
C=CC(=O)Nc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)ccc1F	758276521	JRVIXQOQURCMFA-VCHYOVAHSA-N	408.477	4.570	50	20	HJGD	
O=C(NCCNC(=O)c1cccs1)Nc1cccc(S(F)(F)(F)(F)F)c1	762973462	DPFNBLXGOWCTKK-UHFFFAOYSA-N	415.409	4.957	50	20	HJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2ccc(Br)cc2C)c1	764267169	ACMQZXLGQXJZDK-UHFFFAOYSA-N	412.125	4.894	50	20	HJGD	
Cc1nc(C(=O)NNc2ccc(Br)c(C)c2)c(-c2ccccc2)s1	778931801	CNMJOVNAUKOQFW-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3ccc(O)cc23)c1C	782739651	BWWVIHPTZWKSGS-IWEBCOIVSA-N	403.482	4.717	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1	786045185	XUUDBEFMOQFHSW-NDENLUEZSA-N	411.914	4.551	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)c(F)c2)cc1	787153851	GJILGCKILUCOJC-LWLPBDFMSA-N	422.378	4.560	50	20	HJGD	
O=C(NCC(F)(F)F)c1ccc(NCc2ccc(OCCCCl)cc2)cc1	811501758	WFYGPGGSVDKNRJ-UHFFFAOYSA-N	400.828	4.599	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cn4ccc(Br)cc4n3)n2)cc1	811687006	BDISKVQELMQFOT-ZSOIEALJSA-N	406.243	4.519	50	20	HJGD	
CCCCCC(C)=NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	818201500	DRUYCQRQJRFHSC-UHFFFAOYSA-N	421.950	4.827	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2CC)c1C	855634795	SRRWQXZLXGBRFM-MKYLKIGJSA-N	407.514	4.555	50	20	HJGD	
Cc1noc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	913356934	VHYKRTORSFZJMT-KDVQLTRESA-N	410.861	4.650	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2c(Cl)cccc2Cl)c1C	914496616	IMAJHAPARXBBDI-KDVQLTRESA-N	420.340	4.843	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2noc(C(C)(C)C)n2)c(C)n1-c1ccc(F)cc1	918957260	KHERXOLZRXWQNM-GZTJUZNOSA-N	422.460	4.564	50	20	HJGD	
Cc1c(/C=C(/C#N)c2nnc([C@@H](C)Oc3ccc4ccccc4c3)o2)cc(C#N)n1C	1257770119	ZKBRPZIEYMNWQK-HSGPEQJXSA-N	409.449	4.946	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)nn1	1318589767	RKWXDYIKMPSYPA-LEWJYISDSA-N	416.525	4.600	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ncc(Cl)cc1Cl)c(C)n2C1CC1	1338303084	VEFYQQWZEUOBCL-UHFFFAOYSA-N	405.285	4.752	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C(C)C)CCC2)[nH]n1	1815323854	DHKQOTJPDGFRMK-RDJZCZTQSA-N	408.974	4.636	50	20	HJGD	
C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCCCCCCl)CC1	1831325034	OEQUJKVEAXXSEN-QFIPXVFZSA-N	423.041	4.989	50	20	HJGD	
CC1(C)OB(/C=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1(C)C	2332240105	HXTNUWFMEBBMJL-XMHGGMMESA-N	422.450	4.751	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)c2nc(C)cs2)cs1)c1ccc(F)cc1F	8207494	SVWWUHADQJIPFP-LFYBBSHMSA-N	402.451	4.935	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2C)c([N+](=O)[O-])cc1OCc1ccccc1	17700450	FZNDBECCIPYOFZ-VCHYOVAHSA-N	418.405	4.874	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1c(Cl)cccc1Cl	727263705	GFGKRNLIKUVTGD-GXDHUFHOSA-N	420.271	4.515	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1	728456021	DMDAMDXBGRBOGO-LJQANCHMSA-N	422.447	4.609	50	20	HJGD	
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	731134249	LDNNZAJMPQMYJX-MMPTUQATSA-N	408.873	4.539	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNC(=O)C(C)(C)c1ccccc1	731174432	BYYWDTLHVAAODW-UHFFFAOYSA-N	413.930	4.511	50	20	HJGD	
C[C@@H]1CC(=NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)CCN1C	741452593	BFZCVWPGNYDTAW-GOSISDBHSA-N	401.510	4.619	50	20	HJGD	
Cc1ccc(OCc2nc(C=NNC(=O)c3cccc4ccccc34)cs2)cc1	741465057	CBYQOSUENKCOPU-UHFFFAOYSA-N	401.491	4.948	50	20	HJGD	
COc1ccc(-c2nc(C=NNC(=O)Nc3ccc(OC(F)F)cc3)cs2)cc1	741771154	PEWTVAQTDAJQLX-UHFFFAOYSA-N	418.425	4.576	50	20	HJGD	
COc1cccc(NC(=S)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1	741870684	ZCNYVJNWEYBFIE-UHFFFAOYSA-N	419.721	4.679	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccn2)c(C)n1-c1cccc(Cl)c1	743723477	FTOOBMYJUHBKNN-QUYZQLMHSA-N	404.901	4.927	50	20	HJGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c(C)c1	743763260	DIIQSEBNNDFTME-SFHVURJKSA-N	420.340	4.667	50	20	HJGD	
CC[C@@H](NC(=O)NNc1c(F)cc(F)cc1Br)c1ccccc1OC	745506052	MFEJFLRZYJQWCW-CQSZACIVSA-N	414.250	4.513	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NNc1ccccc1Br	748071036	YOOKJGLOXZUEFI-UHFFFAOYSA-N	422.735	4.912	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cc1csc(-c2ccccc2Cl)n1	751169131	OPJPMDDEVCYXCB-UHFFFAOYSA-N	404.831	4.528	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(-c2cccs2)n(-c2ccccc2)n1	755807580	NEDPVUDPIJNXID-UHFFFAOYSA-N	414.412	4.775	50	20	HJGD	
O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)c1ccc(C2CCCCC2)cc1	764328415	BRMRVUDFPQPZIQ-UHFFFAOYSA-N	413.468	4.662	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2cccc(NC(=O)OC(C)(C)C)c2)c1	773121767	XLMIJWWNCLQKSZ-WQRHYEAKSA-N	408.454	4.693	50	20	HJGD	
O=C(NCCCc1ccc(O)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773306020	FCVBKBKCRWOXNN-UHFFFAOYSA-N	424.391	4.737	50	20	HJGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)NNc1ccc(C(F)(F)F)cc1	773763232	NJDCEMMIJFWMFP-UHFFFAOYSA-N	413.399	4.763	50	20	HJGD	
N#Cc1cccc(COc2ccc(NC(=O)NNc3c(F)cccc3F)cc2F)c1	775599976	OVGMVOLZQSHNOM-UHFFFAOYSA-N	412.371	4.703	50	20	HJGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	776722762	WFHFKRHJVYSYMF-BASWHVEKSA-N	415.833	4.559	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1	785374572	DUJZDCXARZGHKL-YDRQLGOLSA-N	413.355	4.967	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)ccc1Cl	788592208	NPWRDTJTPJXIAB-UHFFFAOYSA-N	410.861	4.750	50	20	HJGD	
CC[C@@H](NC(=O)NNc1ccc(Cl)c(OC)c1)c1nc(C(F)(F)F)cs1	789054048	NXCWPIPWHNCBBR-SNVBAGLBSA-N	408.833	4.601	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNC(=O)c1cccc(Cl)c1	797410898	YSKHJGGFGYQNEJ-UHFFFAOYSA-N	424.671	4.685	50	20	HJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cn1	797788778	USBKXXQQYCETLP-DEDYPNTBSA-N	409.898	4.841	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1C	800223352	ZCAVENDKUVJNKB-PCELIYQRSA-N	415.537	4.505	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H](C)Cc1cncc2ccccc12	805175683	KDHMVCGXOOLAED-INIZCTEOSA-N	406.555	4.555	50	20	HJGD	
N#C[C@@H]1CCCC(=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)C1	814704624	WXUHLQQYBSOROX-GOSISDBHSA-N	422.488	4.800	50	20	HJGD	
CCc1noc(C)c1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	815055093	VTGMWSBNLVAWGF-UHFFFAOYSA-N	406.398	4.681	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c(C)n1C1CCCCC1	818788388	IVXHDRQCFNHQJO-WLGHQHAYSA-N	421.585	4.935	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1c(-c2ccccc2)nc2ccccn12	839425512	INBFWKMZHHCUGR-UHFFFAOYSA-N	404.473	4.847	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c(C)n1C1CCCCC1	913011107	UBNVOXUHDUWTTO-BOPFTXTBSA-N	424.932	4.908	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1C	914512182	KHVHYXOSGIMZFR-YHHBSCGTSA-N	417.553	4.727	50	20	HJGD	
CCCCn1nc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1Cl	915990632	RVMBSEKUJBSMOG-JLHYYAGUSA-N	421.726	4.953	50	20	HJGD	
N#C[C@@H](C(=O)CCCC[C@H]1CCSS1)C(=O)Nc1ccc(F)c(Cl)c1	916938805	MCGGMGWQODHJES-STQMWFEESA-N	400.928	4.841	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C	920033822	XFEMTVUBWYRZAQ-CYBMUJFWSA-N	409.477	4.834	50	20	HJGD	
Cc1ccc(OCc2nc(C=NNC(=O)[C@H](C)Oc3cccc(C)c3C)cs2)cc1	920369128	SOTUDHMUQSAHLB-SFHVURJKSA-N	423.538	4.565	50	20	HJGD	
CC(C)c1csc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)n1	1787004101	GZCJWEDYWPAAOG-HNNXBMFYSA-N	409.914	4.549	50	20	HJGD	
CC(C)(C)c1ncccc1C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1788336527	WLWDVGVRHCLEMO-SFHVURJKSA-N	417.912	4.661	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2	6279754	VWQIQLUPKVWJKO-XSFVSMFZSA-N	412.445	4.582	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(F)cc2)c1Cl	205774628	KJFNENLMHGRSBR-WJDWOHSUSA-N	424.863	4.587	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc(-c3cccs3)no2)c(C)n1CC(C)C	212798833	AXYRAKDPQSCSLK-MFOYZWKCSA-N	410.499	4.523	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc([C@H](C)O)cc2)c(C)n1-c1ccc(F)cc1	726193150	JWKWMUWLZLGCRC-FPJJECCMSA-N	417.484	4.510	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)N[C@@H](c1ccc(F)cc1)C1CCC1	729614957	REDZCGZRXARGDU-QGZVFWFLSA-N	410.276	4.618	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)C(c1ccccc1)c1ccccc1	731281122	UBTNLTBECIWNFL-LJQANCHMSA-N	415.537	4.515	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12)c1ccccc1	731996617	NFNQKLCXXMVFCO-HXUWFJFHSA-N	424.504	4.560	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)c1C	735024803	XNZCXFYHBQKDFT-FYJGNVAPSA-N	422.529	4.695	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](CN3CCCCC3)C2)c(C)n1C1CCCCC1	742117298	AJEBNVCRBBTRKD-ZKFYFQMZSA-N	422.617	4.852	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)C1CCCCC1	743056260	SJOGXTPRFDEIEO-MJLBXUHQSA-N	402.922	4.596	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)c(C)c1	743761600	KKCNGXPORQSCDN-UHFFFAOYSA-N	411.509	4.925	50	20	HJGD	
COc1cc(OC)c(NC(=O)NNc2ccc(Br)c(C)c2)cc1Cl	743806503	SXWOJHBGPQWFKF-UHFFFAOYSA-N	414.687	4.577	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc(-c3ccsc3)nc2C)c(Cl)c1	743824722	XYZVFOIMDNJPMJ-UHFFFAOYSA-N	400.891	4.547	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	745986372	IBYMXLAZLWNHHV-UHFFFAOYSA-N	413.430	4.626	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(Cl)ccc1Br	748076278	DNDDKGMYBPQRFP-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)CCN2c3ccccc3Sc3ccccc32)n1	748338138	AIENZUCFMHAVIJ-UHFFFAOYSA-N	411.918	4.575	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc(CCC(F)(F)F)cc1	751963005	DMTRQBPAVCRARY-UHFFFAOYSA-N	410.783	4.642	50	20	HJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ccc(Br)nc3)c2c1	752798378	CXFFCTZCGNZXGO-UHFFFAOYSA-N	411.303	4.643	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1nc(C2CC2)n(-c2ccccc2Cl)n1	752810767	FJMWYDFGAHNPPC-UHFFFAOYSA-N	422.703	4.862	50	20	HJGD	
COC(=O)N1CCC(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752975303	AEVMSCLWQFPMHZ-UHFFFAOYSA-N	403.373	4.696	50	20	HJGD	
O=C(COc1cc(Cl)c(Cl)cc1Cl)NNc1nc(C(F)(F)F)cs1	755853399	ZGPLBYZVJCLYGI-UHFFFAOYSA-N	420.627	4.644	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)Nc1ccc(COCc2ccccc2)cc1	756733159	NJBLZWDHGBRGIY-UHFFFAOYSA-N	417.509	4.579	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	756772079	DDLZPYMAFAZIBG-RRFJBIMHSA-N	419.451	4.607	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc(Br)cc2cccnc12	759660282	VAAJYZNWELTHSL-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc(C(=O)O)cc1	767887115	CXNLBRNATJQUKO-UYRXBGFRSA-N	416.408	4.649	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(C(=O)NC2CCCCC2)cc1	775554468	KKJVHBSAFRZJRA-UHFFFAOYSA-N	422.316	4.600	50	20	HJGD	
Cc1ccc2nc(COc3ccccc3C(=O)NNc3ccc4ccccc4n3)cn2c1	777460248	PJBJEEMNEULKLT-UHFFFAOYSA-N	423.476	4.527	50	20	HJGD	
COc1ccc(NNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)nc1	782046802	DDNDPCWBDJTHRU-UHFFFAOYSA-N	406.817	4.547	50	20	HJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NNc1cc(Cl)ccc1Cl	783371136	DFVNNYXPLKEODZ-UHFFFAOYSA-N	424.328	4.699	50	20	HJGD	
CC[C@@](C)(O)CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccccc1	784396662	BMUHBGNQDMBQFN-AREMUKBSSA-N	421.521	4.664	50	20	HJGD	
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)NNc1nc2ccccc2s1	787463950	JCUONWBHLALFAX-NSHDSACASA-N	406.895	4.512	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl	794785321	MFTYSIBAHBVJEL-UHFFFAOYSA-N	421.309	4.966	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2coc3ccc(C(C)C)cc23)c1C	806864492	NUPIJKREDJWUET-UHFFFAOYSA-N	401.470	4.782	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1	813048318	SVQQMSXLJRYCSJ-UHFFFAOYSA-N	424.726	4.616	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1	815104515	MSRYEDFRRILAKD-GJZGRUSLSA-N	419.437	4.676	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3ccccc3)C2)c1C	817109006	ZLJQFNVNOZEYEZ-JZAQNJGNSA-N	405.542	4.626	50	20	HJGD	
O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc2ccccc2n1	912773433	QSMQYTMKBUMXPF-UHFFFAOYSA-N	402.435	4.635	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccccc2I)c(C)c1	915848168	RMQFSLNLAUKDGD-MHWRWJLKSA-N	416.262	4.762	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)c1C	916080849	NMPDHPMVLYYHMP-PZHBDVNGSA-N	411.521	4.701	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H](c1ccccc1)c1cc2ccccc2o1	916228179	XCFMTEPZLDQNLX-OAQYLSRUSA-N	419.868	4.820	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3cccc(N(C)C)c3)s2)cc1	916281321	VZWDYZLCFGRQCH-UHFFFAOYSA-N	413.934	4.678	50	20	HJGD	
COc1ccc(CN(CCP(=O)(c2ccccc2)c2ccccc2)C2CC2)cc1	917058199	CVLUEHWVOPZLOL-UHFFFAOYSA-N	405.478	4.674	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccnn2[C@H](C)CC(C)C)c(C)n1C[C@@H]1CCCO1	917667639	CYIJLLAGDPNTGP-CGUWOACISA-N	423.561	4.633	50	20	HJGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12	920049276	QAYKCLSIKCAHNI-DLBZAZTESA-N	404.514	4.589	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3noc(C(C)C)n3)c2C)cc1	920510316	ZUZYDUIOHAIGLA-YBFXNURJSA-N	404.470	4.559	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1OCC	920991143	PLJNRILLFKTBBS-BOPFTXTBSA-N	420.494	4.548	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1csc(Cc2ccc(Cl)cc2)n1	1116648105	SIXQIICWTBSVAT-UHFFFAOYSA-N	413.717	4.846	50	20	HJGD	
Cc1c(F)cccc1C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1785955215	JKFPEXRHBYIMIJ-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4c[nH]nc34)cc2)CCC1	1788450977	GYGYWJWAPQCODX-IBGZPJMESA-N	424.932	4.718	50	20	HJGD	
C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1)c1ccccc1	1824015111	PDVULGHQLLJPJL-WIYYLYMNSA-N	419.009	4.675	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1824612287	WSOVPCAOPDIHHQ-FCHUYYIVSA-N	419.009	4.646	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2C)CC1	1824614431	BVEKDVUQNULFGD-SFTDATJTSA-N	419.009	4.944	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1	1830309107	FWARQFQIMUMFRY-RTBURBONSA-N	411.373	4.591	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc2c(c1)OCCO2	14178786	NYXUOIYOCRSWIW-RVDMUPIBSA-N	406.438	4.871	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1SCc1cccs1	21969648	UOGNRUDDZSPQBT-UHFFFAOYSA-N	421.547	4.525	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc2ccc(OC(F)(F)F)cc2[nH]1	195609167	HRFALCUGIHIZNG-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
CCc1ccc([C@@H](C)C(=O)NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1	727848235	JXJOJJLPZVFBCI-GOSISDBHSA-N	422.550	4.637	50	20	HJGD	
CCN(Cc1ccccc1C)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	729834936	VMEPUBLUAVDYOK-XQNSMLJCSA-N	423.520	4.728	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	730033381	UUVUAJWWVIDAJX-FQEVSTJZSA-N	404.482	4.526	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1C	733278529	PWGISJDSKKZOSU-SCRQZHTBSA-N	419.569	4.800	50	20	HJGD	
COc1ccc2oc(C)c(C(=O)NNc3ccc(Br)cc3Cl)c2c1	733807767	LJGJBNSCDVBXJE-UHFFFAOYSA-N	409.667	4.923	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cnc2ccc(Br)cn12	740764609	ZVFXFBRAVFUTTR-GHXNOFRVSA-N	415.678	4.604	50	20	HJGD	
CC(CCc1ccccc1[N+](=O)[O-])=NNC(=O)c1ccc(Br)cc1Cl	741463980	JSHVIYABQQRYAC-UHFFFAOYSA-N	424.682	4.749	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)[C@H](Sc1cc(F)ccc1F)c1ccccc1	743815523	BZQINCFONRGTDQ-GOSISDBHSA-N	405.857	4.990	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)c1ccc(C(F)(F)F)cc1	747975992	PDTZHUIWPSHQRY-GOSISDBHSA-N	419.403	4.793	50	20	HJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccccc1Br	748059262	VOTKONJICSKNEN-UHFFFAOYSA-N	415.209	4.790	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1	751946345	YQQZBJGWRLOFOD-QLTJYVKOSA-N	405.256	4.640	50	20	HJGD	
O=C(NNC(=O)c1ccc(Br)s1)Nc1cccc(-c2cccs2)c1	756302994	SMPWXPRJYFZRMC-UHFFFAOYSA-N	422.329	4.706	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3cccc(C(F)(F)F)n3)cc2)cc1	760592600	ZOWAAKQPHRILCE-UHFFFAOYSA-N	415.371	4.852	50	20	HJGD	
N#C/C(=C/c1nc2ccc(F)cc2s1)C(=O)Nc1nc2ccccc2nc1Cl	761390745	FKDVHVWFHWMTST-YFHOEESVSA-N	409.833	4.578	50	20	HJGD	
CC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1ccc(C#N)s1	762445951	BVKVPOULTRQMCG-UHFFFAOYSA-N	400.916	4.738	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCN(C2CCOCC2)CC1	762978640	BFSGYSQINDMZND-UHFFFAOYSA-N	415.428	4.673	50	20	HJGD	
COc1cc(-c2nnc(SC/C=C\C#N)n2C2CCCCC2)cc(OC)c1OC	763302191	TUZOIAXBJLJTSW-FPLPWBNLSA-N	414.531	4.648	50	20	HJGD	
C=CCOc1cn(-c2ccccc2)nc1C(=O)NNc1c(Cl)cccc1Cl	763612988	RALOHBWIJVXJHJ-UHFFFAOYSA-N	403.269	4.501	50	20	HJGD	
Cc1ccc(SCc2cccc(C(=O)NNC(=S)Nc3ccccn3)c2)c(C)c1	768576751	ACBYWXFMFSZMCJ-UHFFFAOYSA-N	422.579	4.622	50	20	HJGD	
Cc1ccncc1[C@@H](C)NC(=O)NNc1ccc(Br)cc1C(F)(F)F	771441895	RQVLGKSHQKRNDF-SNVBAGLBSA-N	417.229	4.559	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNc1nccnc1C(C)C	774844940	BCURXDJSRNZJBC-UHFFFAOYSA-N	411.509	4.809	50	20	HJGD	
C[C@H](O)c1ccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	777960379	FGGIQRQHLKOUJD-NSHDSACASA-N	417.421	4.876	50	20	HJGD	
N#CCc1ccc(OCc2cccc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)c2)cc1	787046087	ZWLYDCYQVXFSHP-STZFKDTASA-N	409.445	4.583	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1SC(C)(C)C	788427837	HVBSGQKABLDOTO-UHFFFAOYSA-N	419.572	4.526	50	20	HJGD	
O=S(=O)(CCCCCl)N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl	799856293	YZGYOTOPTIDPCV-CYBMUJFWSA-N	418.173	4.518	50	20	HJGD	
Cc1cc(Cl)ccc1C(=O)NNc1c(Br)cccc1Br	801504931	IYAPPQSRKDHCDN-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	806201507	YJXIFVQJUYMBPY-FQEVSTJZSA-N	401.426	4.707	50	20	HJGD	
CCSc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)c1	814143808	ILPHHGDISPPPIK-RHLNUJDMSA-N	411.571	4.648	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3ccccc3)C2)c(C)n1C[C@H]1CCCO1	817105664	BEEQMOSSLSDZIL-CRURMTBYSA-N	417.553	4.597	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2	895322349	XQZILYRMENBVJD-ICFOKQHNSA-N	423.472	4.698	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(C(C)C)no2)c(C)n1-c1ccc(F)cc1	914893708	VMAHWCSMTXNIQK-GYXHFJGISA-N	422.460	4.951	50	20	HJGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)o2)cc1	915847388	DOTIKLVLSZTVPQ-UYRXBGFRSA-N	400.434	4.896	50	20	HJGD	
O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)NNc1ccccc1Cl	918105842	KRHKTBWDTWBIOY-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
C[C@@H](NC(=S)NNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl	1318207821	QYGKYIKAPHHBJH-SECBINFHSA-N	402.734	4.517	50	20	HJGD	
Cc1cc(F)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c1	1824013990	DFJHRGVSZPYZIK-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccccc3)cc2)C1	1846874669	VRNVTTGLXXNLDZ-OAQYLSRUSA-N	410.945	4.578	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCCn2ccnc2)c(C)n1-c1cccc2ccccc12	301196211	IVFBEAZWSLQCPU-KQWNVCNZSA-N	423.520	4.557	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3)c2C)cc1	302645760	VYVGQJAXWDBICI-LGMDPLHJSA-N	404.445	4.573	50	20	HJGD	
COc1ccc2cc([C@H](C)C(=O)NNC(=S)Nc3cccc(C)c3C)ccc2c1	725907743	VRTZAJLOOSACJO-INIZCTEOSA-N	407.539	4.587	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc3sc(C)nc3cc2OC)c1C	726764460	PZBOAULOVHAJJF-RQZCQDPDSA-N	408.527	4.987	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNC(=S)Nc2ccccc2C(C)C)s1	727171396	GUHFOUUMEPLJTN-UHFFFAOYSA-N	410.568	4.873	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1	727263651	GTQGMPIBKXPNDN-MDWZMJQESA-N	407.779	4.863	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c2c(c1)C[C@@H](C)O2	728437452	DFMDCQQKMMMINT-YSTIZTGUSA-N	412.873	4.535	50	20	HJGD	
Cc1ccccc1[C@@H](O)CNC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	732832354	OJEMCJALARMWAD-WNOSOOIWSA-N	405.542	4.675	50	20	HJGD	
O=P(CCN1CCC(COc2ccccc2)CC1)(c1ccccc1)c1ccccc1	732983193	MULGEGNUMLDXSP-UHFFFAOYSA-N	419.505	4.792	50	20	HJGD	
Cc1cccc2nc(/C(C#N)=C/c3cnn(-c4ccc(Br)cc4)c3)[nH]c12	735619947	SKWLLOHTOXIHAX-OQLLNIDSSA-N	404.271	4.884	50	20	HJGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(Br)c4c(c3)OCCCO4)[nH]c12	735620362	YFGPMIUWPNGCMF-ZSOIEALJSA-N	410.271	4.859	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F)c1ccccc1	741092461	CFANNEQRGNAVIT-OFNKIYASSA-N	419.500	4.634	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NNc1ccc(Cl)nc1	743817439	ZIQOUPOXRRAEBD-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(Br)cc(C(F)(F)F)c1	744371558	AZBNNMOGMBKAMP-UHFFFAOYSA-N	424.648	4.772	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c1C	744855221	ZXBHHJFNZGETQE-NBVRZTHBSA-N	400.438	4.780	50	20	HJGD	
O=C(NCc1cccc(COCc2ccco2)c1)NNc1ccc(Cl)c(F)c1	746750265	MPWZKZRXAYOOIW-UHFFFAOYSA-N	403.841	4.615	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCCCC#N	747361058	ASOLYEDZKLBYEO-SFQUDFHCSA-N	409.873	4.885	50	20	HJGD	
Cc1nn(-c2ccc(C(=O)NNc3ccccc3Br)cc2)c(C)c1Cl	748058354	JMMITHPCGVVXFT-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)n1	748338561	FZQORTCMLWNMEU-GOSISDBHSA-N	402.882	4.554	50	20	HJGD	
CCCCCn1nc(C)cc1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	748761026	ZYLLGRKSMDLSKF-BHJKQYKASA-N	423.561	4.525	50	20	HJGD	
Cc1cccc([C@@H](NC(=O)NNC(=O)c2cc(C)nc3ccccc23)C(C)(C)C)c1	749617538	ZDCTVYWXTROGEL-OAQYLSRUSA-N	404.514	4.583	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c(Cl)c1	751281985	XIHUUPNGVALTFS-QGOAFFKASA-N	415.884	4.971	50	20	HJGD	
CCOc1ccc([C@H](NC(=O)NNC(=O)CC(C)(C)C)c2cccc(Cl)c2)cc1	752704407	IZOZYTDJKHHUAS-FQEVSTJZSA-N	417.937	4.595	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CCCc2csc3ccccc23)c1C	755808516	YICLLIZRJQOJIJ-UHFFFAOYSA-N	417.538	4.836	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1ccccc1CC(F)(F)F	756770639	YWQFIXMGEZEDIU-UHFFFAOYSA-N	406.191	4.565	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C[S@@](C)=O)c(C)n1CCC(C)C	762506662	HDNSEHBQYFBSEY-ZWRZIAIJSA-N	411.571	4.575	50	20	HJGD	
Cc1cc(NNC(=O)c2ccccc2NCc2ccco2)ccc1Br	764271094	IRDVHWDORRYDKV-UHFFFAOYSA-N	400.276	4.720	50	20	HJGD	
Cc1nc(C)n(-c2ccccc2NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)n1	764319186	SXGCQCGIHTYMFA-CIAFOILYSA-N	416.529	4.504	50	20	HJGD	
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)NN(Cc1ccccc1)c1ccccc1	765917261	WNBLJOIUYPFVNU-ISKFKSNPSA-N	401.510	4.828	50	20	HJGD	
Cc1nc(C)c(C(=O)COC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)o1	767268720	VKXXDPBLYFAKJZ-ODLFYWEKSA-N	409.486	4.548	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C1(c2ccccc2Cl)CCOCC1	768007488	LHQXKVYZYNTCBX-UHFFFAOYSA-N	417.695	4.977	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3cn(C(C)C)nc3c2)c1C	768145046	GWOKOOKIOWHVKN-GVLJNOETSA-N	419.529	4.789	50	20	HJGD	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1nc2ccccc2[nH]1	768491894	JSBMSPINMVHWLP-UHFFFAOYSA-N	402.241	4.590	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1	770460801	MGWVHFHSSWCSAS-UHFFFAOYSA-N	406.421	4.696	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1cccc(-c2nccs2)c1	771124859	PDGLCLFEJBGWRB-UHFFFAOYSA-N	407.268	4.860	50	20	HJGD	
CC(C)c1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)nn1-c1ccccc1	772465983	XFRCYWMQRGBGNS-UHFFFAOYSA-N	413.403	4.643	50	20	HJGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1c(-c2ccccc2)nc2sccn12	773095055	VBYJASCTOTZREF-AWEZNQCLSA-N	424.913	4.634	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NNc1c(Cl)cccc1Cl	773696589	FHOKOJUBYOQECH-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
C[C@H]1CC[C@H](CC(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783463900	XBMYYNRVHBZSQO-QWRGUYRKSA-N	407.426	4.975	50	20	HJGD	
Cc1cc(C)nc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	787343097	RTLSWPJIHODHGC-VCHYOVAHSA-N	405.889	4.700	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21	787528905	FWMDCNOTHVZBKU-KVVHSQDJSA-N	419.481	4.756	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(NC(=O)OCC(C)C)c2)ccc1Cl	788577370	LHWZEBVZIRUVFQ-UHFFFAOYSA-N	406.870	4.702	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc2c(C(F)(F)F)cc(O)nc2o1	791714591	KULZYBHQMCLOHA-UHFFFAOYSA-N	406.147	4.616	50	20	HJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3cc(F)c(F)cc3F)s2)cc1	792266181	DWDBLGVPHCQHNO-UHFFFAOYSA-N	421.444	4.945	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1	794687025	DWGJBPQMASMABN-LZNAANCOSA-N	410.399	4.675	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccc(OC(F)F)c(C(F)(F)F)c1	797663299	PNCQKMXUNDCYSJ-UHFFFAOYSA-N	424.257	4.503	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(Cl)nc2Cl)c1C	800079188	NNCSSXHCWAHTGJ-RSQQOUAVSA-N	422.312	4.665	50	20	HJGD	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CC2CC2)cc1	814988126	SBEINRJPCCUUDD-UHFFFAOYSA-N	402.498	4.577	50	20	HJGD	
Cc1csc(SCc2c(C(=O)NCCCSC#N)oc3ccccc23)n1	816539878	WRORDFFMUZBMSZ-UHFFFAOYSA-N	403.554	4.824	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc3ccccc3c2)c(C)n1C[C@H]1CCCO1	914482455	FASQINOOBCUPCZ-RVEICJNFSA-N	413.521	4.661	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)CC(C)C)c1C	914518394	ONKGTLWRHBJDTJ-PMIGXTIBSA-N	407.558	4.904	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(-c3cccs3)no2)c1C	914622588	LAKKPLXBYVCSPJ-ZCQLHAAUSA-N	410.499	4.838	50	20	HJGD	
O=C(NN=Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C1CCCC1	914835771	RPPWQNIQTALUMZ-UHFFFAOYSA-N	406.917	4.892	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1C	915041212	LKGSVKMAGXUYJQ-RCCKNPSSSA-N	418.541	4.605	50	20	HJGD	
O=C(NCc1cn2ccsc2n1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	915341225	POKMRVRDUSGXTH-GFCCVEGCSA-N	420.869	4.937	50	20	HJGD	
C=CCOC(=O)/C(C#N)=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	915856385	KHBXJMKXPGGAEC-ZROIWOOFSA-N	401.249	4.882	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)oc2ccccc12	918002122	RQWIQNUPJWONNN-GXTWGEPZSA-N	411.527	4.633	50	20	HJGD	
O=C(CC(F)(F)F)NNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	918363672	BUSAJGUBYMJTTN-UHFFFAOYSA-N	405.612	4.575	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)cc1	1116889368	ALEDOWQVZXYMQO-RQZCQDPDSA-N	406.873	4.603	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)nn1	1339252889	MXNUFYDNFFDAMB-UHFFFAOYSA-N	418.469	4.861	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2nc(-c3ccccc3)oc2C(C)C)c1	1348926418	ZSVMVDWIUPBDNX-UHFFFAOYSA-N	408.527	4.713	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cc4ncccc4[nH]3)cc2)CCC1	1790841211	UKWXYVOMRYZDBB-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccoc4s3)CC2)C1	1806157192	SCGIFWWZDFPFGU-MRXNPFEDSA-N	422.978	4.747	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](C)c2ccccc2)n[nH]1	1822043971	CPICZWDKHMHHLJ-HHXXYDBFSA-N	416.953	4.613	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1	1827075983	PGYVCZPHNUBIIO-FBWYZNFGSA-N	423.022	4.789	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1	1830007254	KLIIFOIERWSYCI-FGZHOGPDSA-N	419.009	4.944	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(F)cc1	7000875	XMESNQNSVNSIEA-SFQUDFHCSA-N	413.408	4.994	50	20	HJGD	
Cc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	212295329	YQPZYYSEBDQVGX-IDCRMVTHSA-N	421.541	4.937	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C2SCCS2)cc1	303469205	HHJTVCUPNRKFHH-UHFFFAOYSA-N	418.931	4.626	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccc(F)c(F)c2F)cc1OCC	727759718	SOPDQMZYEDAGBO-UHFFFAOYSA-N	402.800	4.702	50	20	HJGD	
O=C(CCCc1ccc2nc(O)[nH]c2c1)NNc1c(Cl)cc(Cl)cc1Cl	730205555	IGCJGTDZZMXASV-UHFFFAOYSA-N	413.692	4.695	50	20	HJGD	
CCc1ccc(-c2nc(CC(=O)NNC(=O)c3ccc4ccccc4c3)cs2)cc1	732059144	SNKFIXLPMUHQBO-UHFFFAOYSA-N	415.518	4.529	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)ccc1OCC(F)(F)F	734304926	AYWVJCMDRRQHOC-ZDLGFXPLSA-N	418.415	4.558	50	20	HJGD	
CC(C)CCSc1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1[N+](=O)[O-]	734552654	ZKVOOOFQDDCDTI-UHFFFAOYSA-N	413.421	4.907	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1csc(-c2ccc(Cl)s2)n1	740087804	OLGIOXWWSHENID-UHFFFAOYSA-N	404.826	4.696	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)sc1C	743782996	LBXONAZDGTWUST-VCHYOVAHSA-N	408.502	4.530	50	20	HJGD	
Cc1ccccc1[C@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)[C@@H](C)CO1	744407647	YCZNJOPPDULOOG-BKMJKUGQSA-N	419.505	4.771	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1	744502988	WWIWZAPIHLAFBB-WFVLPUPGSA-N	423.538	4.656	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1C(F)(F)F	746895144	BJUNZWOQBBNDAV-JTQLQIEISA-N	401.310	4.843	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1F)c1cc(F)c(Cl)cc1Cl	747492157	JTBYLVPEBBLZMQ-SSDOTTSWSA-N	422.646	4.630	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H]2CCc3ccc(F)cc32)c(C)n1C[C@@H]1CCCO1	747879462	OQNJSWHNVCPOSM-ADZYDYBHSA-N	408.473	4.561	50	20	HJGD	
O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NNc1ccc(Br)cc1F	748204220	ZQJKXUBCJLKWKY-UHFFFAOYSA-N	424.657	4.582	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2ccccc2SCc2cn3ccccc3n2)c1	748786862	QRZDMNBWZFSOOJ-UHFFFAOYSA-N	406.486	4.831	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)ccc2OC(F)F)cc1C(F)(F)F	748857257	WSQVZASPZJOHLM-UHFFFAOYSA-N	405.710	4.589	50	20	HJGD	
Cn1c(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1-c1ccc(F)cc1	749266332	YYLPYVKCXWIFPV-UHFFFAOYSA-N	422.338	4.515	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1nccnc1-c1nc2ccccc2s1	752813451	WOXAQMOUDDLMMY-UHFFFAOYSA-N	416.293	4.817	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1cccc2[nH]ccc12	756300797	OMTVDYCHINOQMP-UHFFFAOYSA-N	421.460	4.850	50	20	HJGD	
Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)NNC(=O)c3cccn3C)cc2)c1	756682956	CBBWMAKGMKAOHI-UHFFFAOYSA-N	420.513	4.502	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C	764176630	XASJXEZSPVINOK-UHFFFAOYSA-N	424.492	4.941	50	20	HJGD	
COc1ccc(C(=O)NN=CC2CCC(C(F)(F)F)CC2)cc1Br	767376632	BQPQTSGPRLZHBI-UHFFFAOYSA-N	407.230	4.542	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	769966740	VPCCUZCADVOEGJ-GOSISDBHSA-N	406.877	4.551	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)cc1	772817698	JMFMNABDTDHPTF-UHFFFAOYSA-N	403.385	4.942	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cnc(Cc3ccccc3F)s2)cc1C(F)(F)F	773459188	PHRJPLRHVCGVDG-UHFFFAOYSA-N	420.391	4.520	50	20	HJGD	
C[C@H]1C[C@@H](CCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	773498080	NZQKXEPUEOABMD-RYUDHWBXSA-N	416.412	4.604	50	20	HJGD	
CN(C)c1ccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	777857017	PBGPATVQSSJUIH-UHFFFAOYSA-N	416.437	4.889	50	20	HJGD	
C#CCOc1cccc(Cl)c1/C=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F	777885226	XKBLBKKPDZMNEN-QBFSEMIESA-N	404.775	4.916	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)C(=O)c1ccc(Br)s1	780152870	HWUCVIASQQTCFW-AUWJEWJLSA-N	416.275	4.684	50	20	HJGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2c(Cl)cccc2Cl)c(Cl)c1	782123660	IHVAXGJKMQURNE-UHFFFAOYSA-N	416.692	4.516	50	20	HJGD	
CC(C)(C(=O)NN=Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)c1ccccc1	782229925	HQNYKWDAGCTNPJ-UHFFFAOYSA-N	400.404	4.523	50	20	HJGD	
Cc1cc(C)c(NC(=O)C(=O)NNc2nc3cc(Cl)ccc3cc2C)c(Cl)c1	785160788	HMFFYGJELDUNFR-UHFFFAOYSA-N	417.296	4.549	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1cccc(C(=O)N2CCCCC2)c1	792247607	DGPFIIHQOPJVCK-UHFFFAOYSA-N	407.301	4.768	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)ccc1OCc1ccc(Cl)cc1	794884423	PHBLLNWZTYHOES-NPBUNYCVSA-N	411.885	4.830	50	20	HJGD	
CCCNC(=O)/C(C#N)=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	797319017	HEYMMAMVCQBFKA-NTEUORMPSA-N	402.281	4.679	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cc(C3CC3)cnc2Cl)cc1	798123857	VTPRFXXJCQSSEZ-UHFFFAOYSA-N	402.951	4.586	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)Nc1ccccc1	801988839	SEGATNNDGFEIDM-LJQANCHMSA-N	413.449	4.651	50	20	HJGD	
CC[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H](C)S1(=O)=O	806402530	WJAJJTWOEHOXHO-PWSUYJOCSA-N	422.441	4.773	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(OC)cc1	810200588	OUUABJRGWDSDGR-CPNJWEJPSA-N	400.482	4.756	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2c(s1)CCOC2	817014994	HFHQMRRONDTFQD-UHFFFAOYSA-N	410.339	4.615	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12	864786450	SDSKJTBJOYYTQT-UHFFFAOYSA-N	402.385	4.706	50	20	HJGD	
COc1cc(C#N)cc(Cl)c1OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	896695288	ZLHZQFGGONVIRC-GIJQJNRQSA-N	411.889	4.807	50	20	HJGD	
C=CCN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc(OC)cc1	917408409	NGHMYJDFKOXKGP-UHFFFAOYSA-N	405.478	4.697	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N(C)Cc3cccc4ccccc34)cc2C1	918002320	ASSLVUXFEPGPGS-OAHLLOKOSA-N	407.539	4.513	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)cc1	918583990	NWCYKCRYQFKCBC-XMHGGMMESA-N	412.493	4.900	50	20	HJGD	
Cc1cc(C)c2c(-n3cccc3)c(C(=O)NNc3ccc(C(C)(C)C)nn3)sc2n1	1318938594	HMHKGGCKCKGOMG-UHFFFAOYSA-N	420.542	4.548	50	20	HJGD	
O=C(NNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1Cl	1324293792	IWBJJFBSOPEQAD-UHFFFAOYSA-N	417.214	4.505	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccn(C3CCCCC3)n2)c(C)n1C[C@H]1CCCO1	1339139300	JCRUJQAUSWFNRJ-VOSMRYOYSA-N	421.545	4.531	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)nc3C)CCC2)cc1	1786445004	OFKFTEUSKAUCCA-SFHVURJKSA-N	417.912	4.684	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1	1789678262	CPHIKOKWQDRZKE-SFHVURJKSA-N	420.340	4.890	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3F)CCC2)cc1	1790489571	GUMRIBFIVBCOQH-QGZVFWFLSA-N	406.860	4.730	50	20	HJGD	
CC(C)C1(C(=O)Nc2ccc(C3(NC(=O)CCBr)CCC3)cc2)CCC1	1792046846	NOSUTURNHVEEKU-UHFFFAOYSA-N	421.379	4.732	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)s3)C2)CC1	1808203487	IUALXRCUPBQTGU-CQSZACIVSA-N	417.402	4.654	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)[nH]n1	1815326854	QZCASPQCKYVNCX-IEZWGBDMSA-N	416.953	4.613	50	20	HJGD	
Cc1ccc(C)c(OCCCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1	727791364	CGIKPUUUCFOJSV-UHFFFAOYSA-N	409.313	4.621	50	20	HJGD	
CN(C)C(=O)c1cccc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1	728462392	TUCFYKFWUFLCGL-KRWDZBQOSA-N	416.852	4.860	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)(F)C(=O)O)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12	730729913	QRHIVGZHGMGQOC-KPKJPENVSA-N	416.767	4.667	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H](CO)c1cccc(F)c1	734644855	FOJCFOHKCCOVPU-HIFRSBDPSA-N	422.831	4.900	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)c(C)n1CC(C)C	737726939	IFUWVCIRFKKJED-UUMRFZBWSA-N	420.557	4.532	50	20	HJGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NNc1ncccc1C(F)(F)F	740095760	KJVPLZOQSWNGNF-UHFFFAOYSA-N	422.432	4.754	50	20	HJGD	
O=C(NN=Cc1ccc2ccccc2n1)c1cn(-c2ccccc2)nc1-c1ccccc1	741453090	LMHYOFNQIUPXNA-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)c2cnn(C)c2)c(C)n1-c1cccc2ccccc12	741952925	FWVQFFUMKBSCCK-BKUYFWCQSA-N	409.493	4.551	50	20	HJGD	
CCCN1CCC(NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	743084944	SNNNFANCGFQSGK-HNNXBMFYSA-N	409.905	4.902	50	20	HJGD	
C[C@@H]1CN(c2ccc(NC(=O)NN(Cc3ccccc3)c3ccccc3)cc2)CCO1	743177943	GBIDHRNIRWXKMJ-HXUWFJFHSA-N	416.525	4.655	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc(Br)cc1Cl	743426369	OQACETOPGFHVNT-UHFFFAOYSA-N	418.143	4.998	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc2cc(Br)ccc2c1	746294356	RURJYMMZLCDARN-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
COc1ccc2[nH]cc(C3CCN(/C(=C/C#N)c4ccc([N+](=O)[O-])cc4)CC3)c2c1	750037804	CEXPNPSFMSDHOM-LIMNOBDPSA-N	402.454	4.829	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(CCC(F)(F)F)cc2)cc1C(F)(F)F	752143486	GUAJDSMRPHMHNW-UHFFFAOYSA-N	401.310	4.829	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)NNc3ccccc3)cs2)cc1	752625991	DEUNCOVNWAIEJO-UHFFFAOYSA-N	424.526	4.838	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1c(F)cc(Br)cc1F	754148035	RTCGCQUBRFQOJP-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
N#C/C(=C\c1ccc(F)c2cccnc12)c1nc(O)c2cc(Br)ccc2n1	759115960	CSKCCFOBDAJLAF-XYOKQWHBSA-N	421.229	4.849	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccccc1CCC(F)(F)F	759168048	VLYNAVGJSRJSMK-UHFFFAOYSA-N	423.179	4.979	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c(Br)c1O	761015298	KXRGYMAJTFIHPZ-LCYFTJDESA-N	411.255	4.743	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)ccc1OCCC(C)C	761590501	AJGRTNDXZDVQCF-UHFFFAOYSA-N	412.408	4.776	50	20	HJGD	
Cc1csc(CC(=O)NN=Cc2ccccc2Oc2ccc(F)cc2Cl)n1	763407119	JOMUYTTYALMYMN-UHFFFAOYSA-N	403.866	4.729	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F	766543743	FYTRANZIODKLMU-KGLIPLIRSA-N	408.424	4.542	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Br)c1)c1ccccc1	768268263	GAXULDKCJBNQAE-DGGAMASNSA-N	421.241	4.835	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	768916145	SONZIDVZRRXVRF-YSSBIZNGSA-N	407.514	4.618	50	20	HJGD	
C[C@H](C#N)CSc1ccccc1NC(=O)NNc1ccc(Br)c(F)c1	771141972	COVTWNDWBNOVDL-LLVKDONJSA-N	423.311	4.989	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1	776067352	HOHVTSRZAOWONG-UHFFFAOYSA-N	418.419	4.543	50	20	HJGD	
COc1cccc(C(=O)c2ccc(C(=O)NNc3ccc(C(F)(F)F)cc3)cc2)c1	780952473	XIDILVNVYAWPPD-UHFFFAOYSA-N	414.383	4.702	50	20	HJGD	
Cc1ccncc1/C=C\C(=O)NNc1c(Cl)cc(Br)cc1Cl	784048936	HNAONVSMFYSZEW-IHWYPQMZSA-N	401.091	4.616	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1Cl)C(=O)c1ccccc1OC(F)F	789149430	YPIGJLJGOKKAAW-GDNBJRDFSA-N	413.811	4.976	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2N(C)C)c1C	790138848	QDWZZIIYHCRFPX-BFERYNQYSA-N	414.937	4.577	50	20	HJGD	
CCCOc1c(Cl)cc(C=NNC(=O)c2ccc(Cl)cc2OC)cc1OC	794780726	DAACGXYWKDGVOT-UHFFFAOYSA-N	411.285	4.563	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)[C@@H]1CCCOC1	794955181	YXZZUTKZZNWXQU-LSCADSNKSA-N	403.507	4.563	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)cc1	797311869	LFEJCTNCDUDMEV-FYJGNVAPSA-N	416.452	4.637	50	20	HJGD	
CSc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	798733622	VFKUEFLVHVFONJ-ZQVRYYRPSA-N	423.582	4.790	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cnc(C(C)C)nc2)c(C)n1CCC(C)C	799397875	TTZRRLRTJNVXMK-SSDVNMTOSA-N	407.562	4.630	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2csc(-c3ccncc3)n2)c(C)n1CC(C)C	802581112	OTVVSMZEFRWQEO-VXLYETTFSA-N	405.527	4.825	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1N1CCCC1	803038398	RJHHRFNCAZLJLY-UHFFFAOYSA-N	400.404	4.611	50	20	HJGD	
CC(C)Cc1ccc([C@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C2CC2)cc1	806670094	RACNIPSVUHNDEZ-QFIPXVFZSA-N	404.514	4.504	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c(C)n1C[C@H]1CCCO1	809290352	POFXJNYWYIRWQP-KUZSXNHZSA-N	423.582	4.862	50	20	HJGD	
C[C@@H]1CN(C(=O)c2ccc(NCc3ccc(OCCCCl)cc3)cc2)C[C@@H](C)O1	811501773	WTQQRKNYCUPZPF-QZTJIDSGSA-N	416.949	4.556	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc(Br)c3ccccc3c2)c1	814404910	MNASBNKDUBZFCB-UHFFFAOYSA-N	414.328	4.542	50	20	HJGD	
CC(C)[C@@]1(CO)CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	815095338	OLODDMZOLMXKER-HNNXBMFYSA-N	423.469	4.763	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cncc(-c2ccc(Cl)cc2)c1	816485175	BXSNFTATELWKPN-UHFFFAOYSA-N	402.285	4.726	50	20	HJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3cccc(Cl)n3)s2)cc1	817010284	URHFUERYIGBSRC-UHFFFAOYSA-N	402.907	4.577	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1	817904763	PIFWOXZTWGLZMX-UHFFFAOYSA-N	415.902	4.809	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)OC2CCCCC2)ccc1OC(=O)c1ccccc1F	834744597	PIFGPFJJMMUSQB-LGMDPLHJSA-N	423.440	4.836	50	20	HJGD	
Cc1cccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	849205775	QOTQUBXVYKAPOJ-GFIJVFARSA-N	407.514	4.547	50	20	HJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)c(OCCC)c1	916128629	RMRAKRZSTIFSPX-RGEXLXHISA-N	421.497	4.768	50	20	HJGD	
O=C(NN=Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1cc2c(s1)CCC2	916315360	OIZRNQLJYULRQN-UHFFFAOYSA-N	423.925	4.906	50	20	HJGD	
Nc1cc(C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc([N+](=O)[O-])c1	916346832	XCKKSBRTRCBHKY-UHFFFAOYSA-N	419.224	4.508	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1	916613763	VSABZJAYAYXWAP-BKAYVGFPSA-N	417.490	4.596	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1OCc1ccccc1Cl)c1cccnc1	917530908	IPXJXDYVYZFSSF-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1	918597803	UFNCTWLQAMRGCH-HKWRFOASSA-N	411.461	4.883	50	20	HJGD	
Cc1nc(N2CCCCC2)sc1C=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	1248410631	KQIGYHSYEPLXST-QGZVFWFLSA-N	422.554	4.513	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c(C)n1C1CC1	1327236582	DLAFSCNHSWRJST-UHFFFAOYSA-N	416.241	4.978	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)CCc3cccc(C)c3)C2)CC1	1806526317	MCMIMBXDPJKAHX-OAQYLSRUSA-N	419.009	4.566	50	20	HJGD	
O=C(c1cccc2ccccc12)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)Cl)CC1	1827612593	FNZCGXQBTSITMY-NHCUHLMSSA-N	416.924	4.608	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)CCc2nc3ccccc3s2)cc1	8030182	BETBZCSYEBHYQG-UHFFFAOYSA-N	412.584	4.589	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12	10890378	QLJCPCAJHVZWNL-UHFFFAOYSA-N	415.468	4.676	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3ccc(Cl)cc3)n2)cc1	23739858	RBBNLXAXQOAPEE-XNTDXEJSSA-N	422.897	4.968	50	20	HJGD	
Cc1cccc(COc2cccc(C(=O)NNC(=S)Nc3cc(C)ccc3C)c2)c1	28350502	IFATZIMDQIOQEV-UHFFFAOYSA-N	419.550	4.822	50	20	HJGD	
CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1	58823410	MSQODCNAKVZILO-MHWRWJLKSA-N	416.271	4.507	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1cccc([N+](=O)[O-])c1	71840406	VZPBUVADBUHSSS-GZTJUZNOSA-N	404.401	4.687	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)Nc1ccc(F)cc1	211408222	NXCDIPYHLKDPMY-GDNBJRDFSA-N	412.827	4.717	50	20	HJGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1	730150567	BEXUTNUWNNTSRT-WQRHYEAKSA-N	404.495	4.786	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1nc(-c2ccccc2)cs1	730581193	PYZCUTTXNXJWCA-OAHLLOKOSA-N	416.506	4.669	50	20	HJGD	
Cc1c([C@@H](NC(=O)NNC(=O)c2cccc3ncccc23)C(C)C)oc2ccccc12	732705342	YQUCQVWOOLHCCL-NRFANRHFSA-N	416.481	4.631	50	20	HJGD	
Cc1cccc([C@@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1C	734470040	VAOGGAUNJPSBHL-AREJXAQWSA-N	423.520	4.865	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)COCc3ccccc3)s2)cc1	737437683	ZZIWULVAFBOMOE-UHFFFAOYSA-N	414.918	4.515	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1	741870167	PCYOVMAYOKZYGC-UHFFFAOYSA-N	403.722	4.978	50	20	HJGD	
C[C@@H](CC(=O)c1ccccc1F)C(=O)NNc1ccc(Br)cc1Cl	743335625	WLTZHVAKQQAJTK-JTQLQIEISA-N	413.674	4.594	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1ccccc1C(F)(F)F	743560305	DJICJBSXNAQQCE-ZDUSSCGKSA-N	401.388	4.564	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cnnn1-c1ccccc1Cl	745362567	UGXXUZQOCYFTGL-UHFFFAOYSA-N	417.083	4.638	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(Oc2ccccc2)ccn1	748200059	APHXPEPOQQAQKX-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
N#Cc1ccccc1Sc1ccc(C(=O)NNc2ncccc2C(F)(F)F)cc1	748321782	SYNYNWNOHMVHIB-UHFFFAOYSA-N	414.412	4.880	50	20	HJGD	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=O)CC2CCCC2)cs1	749446729	IXTZPHKUZRNDGG-UHFFFAOYSA-N	404.923	4.512	50	20	HJGD	
Cc1onc(-c2cccc(Br)c2)c1C(=O)NNc1ccccc1Cl	752143905	PRBKUNGFWMSMTQ-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
O=Cc1ccc(OCc2occc2C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1	754147684	CGAFPHMSEYZCIO-UHFFFAOYSA-N	422.334	4.586	50	20	HJGD	
CC(C)n1ncc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)c1-c1ccccc1	754228536	RMSDQBKFEUOYGP-UHFFFAOYSA-N	422.876	4.591	50	20	HJGD	
O=C(NNC(=O)c1ccc(Br)s1)Nc1ccccc1-c1cccs1	755583026	RMRTUBPSWFEFNN-UHFFFAOYSA-N	422.329	4.706	50	20	HJGD	
O=C(NN=Cc1coc(-c2ccccc2)n1)c1ccc(Br)cc1Cl	755701279	PSVLIRQUARVHFZ-UHFFFAOYSA-N	404.651	4.521	50	20	HJGD	
CC[C@H](C)n1ncc(C(=O)NNc2c(F)cc(F)cc2Br)c1C1CC1	760497918	PCBRMPKMPDQRDA-VIFPVBQESA-N	413.266	4.529	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2csc(-c3ccco3)n2)c1C	763987327	PRIJCWIACVLXLZ-WOJGMQOQSA-N	408.527	4.845	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)cc1	765062409	XCDXATBHCMVYTQ-SQFNAUOLSA-N	402.498	4.800	50	20	HJGD	
N#Cc1ccc(C2=CCN(CCP(=O)(c3ccccc3)c3ccccc3)CC2)cc1	767731125	FDCBMUFZBWJLLD-UHFFFAOYSA-N	412.473	4.661	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc(Br)c1OC	772174398	AMDRDILFSBVLLI-PQMHYQBVSA-N	422.225	4.924	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1OC	772180413	WVCMBKBZOMXZTQ-VGOFMYFVSA-N	404.235	4.785	50	20	HJGD	
C[C@@H]1C[C@H](CCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	773498082	NZQKXEPUEOABMD-VXGBXAGGSA-N	416.412	4.604	50	20	HJGD	
N#C/C(=C\c1ccc(OCCN2CCCC2)cc1)C(=O)c1ccc(OC(F)F)cc1	776259538	KHAUBYXINREKTR-XDJHFCHBSA-N	412.436	4.552	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(C(=O)c2cccc(O)c2)cc1	780977823	SHAINNFBHIQGCK-UHFFFAOYSA-N	419.239	4.826	50	20	HJGD	
CCOCCC1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782988400	SHYFGBADZZOPES-UHFFFAOYSA-N	409.442	4.829	50	20	HJGD	
COC1CCC(=NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)CC1	783790853	HQYYDIFBFWNMAE-UHFFFAOYSA-N	400.906	4.902	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)c1ccnc(O)c1	790288653	TUOSYSRZTBFNGG-UHFFFAOYSA-N	411.461	4.673	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1nc(-c2cccc(F)c2)no1	790408249	XEGSJYTWYICXGQ-VIFPVBQESA-N	410.236	4.570	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3nccc4sccc34)s2)c(F)c1	800691116	FENBHUCKNOMZQL-UHFFFAOYSA-N	414.487	4.633	50	20	HJGD	
COCCC[C@H](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccc(Cl)cc1	804128154	TZVRVMUWDIFTMY-ZJYZBMPFSA-N	400.881	4.713	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(C#N)c(Cl)c1)c1csc(-c2ccccc2F)n1	816083897	IRHJPYBMAHBCOP-UHFFFAOYSA-N	414.893	4.895	50	20	HJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1ccccc1OC(F)(F)F	816202501	VDPZOWOOLYQDMD-UHFFFAOYSA-N	403.198	4.721	50	20	HJGD	
CC(C)(Sc1ccc(Br)cc1)C(=O)NNc1cccc(Cl)n1	817004768	PDMIRPNNQYPSPS-UHFFFAOYSA-N	400.729	4.512	50	20	HJGD	
CC(C)Oc1cccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	817015670	MEIWNLIDDWABGL-UHFFFAOYSA-N	407.314	4.663	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1	877254900	IIZRMVSZUMYZHD-UNOMPAQXSA-N	416.456	4.737	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(-c3ccc(F)cc3)no2)c1C	915376648	UQSOCVWZONAMPI-YBFXNURJSA-N	407.445	4.959	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](c2ccccc2)C2CCCCC2)c2ccccc2n1	916638426	FOYLSYGVCRWUTI-QHCPKHFHSA-N	416.525	4.809	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cc(Br)c2c(c1)OCCO2	917516657	CPGWOKRODUHEDM-ZSOIEALJSA-N	423.266	4.800	50	20	HJGD	
CCc1ccc(-c2nnc(/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)o2)cc1	1326104749	UICYVVPURBXDRS-WCCCRJGXSA-N	402.498	4.961	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3)CCC2)cc1	1786444067	PSQCMSDHZPKWKX-IBGZPJMESA-N	424.932	4.670	50	20	HJGD	
C[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CC=CCC3)CCC2)cc1	1791436604	UPTWIJXWWDAHRY-QRWLVFNGSA-N	419.363	4.650	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)[nH]n1	1815321242	RATCVNXJNZJNCZ-QAPCUYQASA-N	420.916	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1	1815322363	OWKLNLGRQMAISV-NVXWUHKLSA-N	423.344	4.777	50	20	HJGD	
O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Cl)[nH]n1)[C@@H]1CCC[C@H]2CCCC[C@H]21	1818929259	MMXKWBKFBXOECF-CMQWMLGXSA-N	424.948	4.543	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Cl)n[nH]1	1820423027	LDLPWTDKNOAYDY-RDJZCZTQSA-N	423.344	4.777	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2C2CC2)n[nH]1	1823134907	MPNVJCVSVVQWAE-MJGOQNOKSA-N	414.937	4.610	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1	1830307508	BWDXGTKBZKHFBE-OALUTQOASA-N	416.949	4.684	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1OC	6209945	RBXSIBBWGRWBPP-XSFVSMFZSA-N	414.461	4.828	50	20	HJGD	
COc1ccc(NC(=O)COC(=O)CCCC[C@@H]2CCSS2)cc1Cl	6398978	ZSCBRKZVIQNGAE-CYBMUJFWSA-N	403.953	4.544	50	20	HJGD	
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NNC(=O)NC1CCCCC1	216146243	WNLVBNWEJBNQPX-UHFFFAOYSA-N	422.504	4.570	50	20	HJGD	
O=C(COc1ccc(Cl)c2ccccc12)NNC(=O)c1c(Cl)cccc1Cl	727793503	NDBPXPRGZDAYFC-UHFFFAOYSA-N	423.683	4.640	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@H]2CCCOC2)c(C)n1-c1ccc(Cl)cc1	730789822	BDTMZRHMADKTOT-BAOGCXAUSA-N	411.933	4.540	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2C(=O)O)c1	731562482	CJDHQDYTQYJQLJ-HRSSBTCLSA-N	418.493	4.566	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1	733076865	WMKADNQLSJGIEM-UHFFFAOYSA-N	416.462	4.564	50	20	HJGD	
CCOC[C@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)C1	733763479	XIPGNKBOTOMTJT-KUOTXRDYSA-N	405.542	4.585	50	20	HJGD	
O=C(NC[C@@H](O)c1ccsc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	740435462	XRBOXGQIMCVYOQ-YPMHNXCESA-N	410.870	4.823	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=S)Nc2ccc(OC(F)(F)F)cc2)c(Cl)c1	741860506	LSNLJENMNMKQJO-UHFFFAOYSA-N	418.828	4.570	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc(COc3ccccc3)o2)c(OC(F)F)cc1C	743431381	UDMKEVIEOPHTHL-UHFFFAOYSA-N	414.408	4.841	50	20	HJGD	
COc1cc(C(=O)NNc2ccccc2F)ccc1OCc1ccc(Cl)cc1	748056696	MQVHILLDAIPZRV-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(-c2ccc(Cl)cc2)on1	748174430	WCBYSCXYHBWSPM-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NNc1ccc(OC(F)F)cc1	748637336	OILJTMHSIUAUPX-UHFFFAOYSA-N	420.847	4.560	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl	748672627	JVCQLMWKRDPYTM-UHFFFAOYSA-N	422.959	4.694	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1	751620709	VTSKOEGBHJETOG-PDGQHHTCSA-N	419.868	4.764	50	20	HJGD	
Cc1cc(Br)c2oc(C(=O)NNc3ccc(C#N)c(Cl)c3)cc2c1	753322202	CRDHLWLNZQHVQO-UHFFFAOYSA-N	404.651	4.786	50	20	HJGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1nc(-c2cc(Cl)ccc2Cl)cs1	753896755	CVOYRAJHIUUEOX-MDWZMJQESA-N	424.353	4.955	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1	754223403	HATAZPXGIJWNAX-UHFFFAOYSA-N	408.285	4.508	50	20	HJGD	
CNc1nc(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cs1	754433575	QZGLRJZMUFALGH-LLVKDONJSA-N	410.874	4.726	50	20	HJGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=S)Nc2cccc(Br)c2)cc1	755626506	OLMFXRUGIHGEAS-GFCCVEGCSA-N	406.349	4.594	50	20	HJGD	
O=C(NN=Cc1ccc(C(F)(F)F)s1)c1ccc(Br)cc1Cl	761807061	MFZRCDJJNYIIBP-UHFFFAOYSA-N	411.630	4.947	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(OCCBr)c(Cl)c2)c1	763109329	ROCMDQTXMFXJKK-OQLLNIDSSA-N	420.690	4.912	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cnn(-c2ccccc2)c1C1CC1	768013083	NQKBHXKVZMVLQY-UHFFFAOYSA-N	405.260	4.953	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(c2ccccn2)C2CCCC2)c(C)n1C[C@H]1CCCO1	769723136	JKLUTSAWJRVVCW-FQWPPLDYSA-N	418.541	4.562	50	20	HJGD	
COC(=O)Nc1cccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	769970950	KAYSDTWYLOIDOV-UHFFFAOYSA-N	403.653	4.974	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	771590716	ORTOCFBJILWWNN-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
C=CCC[C@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1	771952238	ZXFIBTWBAAJBCI-NRFANRHFSA-N	419.481	4.510	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(-c2cccc(OC(F)(F)F)c2)s1	772916078	CLALAUDTHQHKDH-UHFFFAOYSA-N	414.796	4.514	50	20	HJGD	
CCCN1C(=O)CCc2cc(NC(=O)NNc3ccccc3C(F)(F)F)ccc21	774113474	YIBIKBNYNRNIAE-UHFFFAOYSA-N	406.408	4.543	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2cccnc2)c(C)n1-c1ccc(F)cc1	783670975	UYDZCLZUKJMLKO-JRXNCPAPSA-N	414.484	4.899	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cccc(C(=O)O)c1Cl	787167145	DPXQLSMLPKZRJM-GHXNOFRVSA-N	405.237	4.554	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCN(CC3CCOCC3)CC2)cc1	788021352	UWRNCTCTBYMXGJ-UHFFFAOYSA-N	418.698	4.753	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(/C#N)c3cnc4ccccc4n3)cc2)oc1C(=O)O	790230469	ARBDCYYUXHGUHZ-BOPFTXTBSA-N	411.417	4.873	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)CCSCc1nc(O)c2ccccc2n1	794953739	LNMGSMCYSAUIEY-UHFFFAOYSA-N	410.543	4.534	50	20	HJGD	
CCCNC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl	797316424	PEEDICCICPWCQR-NTUHNPAUSA-N	411.720	4.633	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccc(Oc2ccccc2)cn1	799705557	KEFJVIFPWWKTCV-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCC2(C#N)CCOCC2)c(C)n1CCC(C)C	800111997	XGSCOODQEOKMCC-PXLXIMEGSA-N	411.546	4.702	50	20	HJGD	
CC(C)(C)n1ncnc1CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	800516720	SBKOPOPCDLINJR-CYBMUJFWSA-N	421.876	4.574	50	20	HJGD	
CCC(CC)n1nc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C	802034593	CJMYEFBBVCEAFL-UHFFFAOYSA-N	405.502	4.686	50	20	HJGD	
COc1ccccc1SCC(=O)NN=C(C)c1csc(-c2ccccc2F)n1	812227827	RNEHCPSNBJNZIG-UHFFFAOYSA-N	415.515	4.590	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccc(C)cc1Sc1ccccc1	819710300	FISSHFHNPUQMGR-UHFFFAOYSA-N	410.470	4.829	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c(C)n1C[C@@H]1CCCO1	903141537	OXSVZQANDDRFDI-LTXFRBGYSA-N	412.559	4.584	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)Nc1ccc2ccccc2c1	915995928	JLXIESZFHTVLHX-INIZCTEOSA-N	415.518	4.778	50	20	HJGD	
O=Cc1cccc(OCc2cccc(C(=O)NNc3cccc(C(F)(F)F)c3)c2)c1	1340916465	WGFZJXAGVXIEQD-UHFFFAOYSA-N	414.383	4.854	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccccc2)CCCC1	1792854917	DUQGMAPHNCLEDM-PLACYPQZSA-N	416.993	4.544	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1	1818453384	NTKNYURSLOWDOM-QUCCMNQESA-N	424.932	4.886	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)OC2CCCCC2)ccc1OC(=O)c1ccccc1F	14178780	PIFGPFJJMMUSQB-GHRIWEEISA-N	423.440	4.836	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(C)c1OCc1ccccn1	36832223	LMSXJOUXLCLGOT-XQNSMLJCSA-N	411.505	4.543	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@H](CC1CCCCC1)c1ccccc1	726280073	PSADSFZGIBFKIK-HSZRJFAPSA-N	416.525	4.891	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(Cl)c1Cl	727263496	BCJQKCPRDBJZQY-UVTDQMKNSA-N	420.271	4.515	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2)oc1C(=O)O	729937043	KZWYEEYFAGMREQ-LFIBNONCSA-N	420.396	4.550	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1	733083483	KDHQGYUDWZBABV-AYCSXLNKSA-N	404.451	4.503	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1Br)c1nc2ccccc2s1	734218219	HUQXLPOFYYZLCO-SECBINFHSA-N	409.284	4.585	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c(C)n1C[C@H]1CCCO1	734355474	NOGNFMDAYXEFGH-CNXVLUDTSA-N	417.553	4.596	50	20	HJGD	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NNC(=O)c1cccc2cccnc12	747463237	BATJMKXTSHLIEQ-GFCCVEGCSA-N	417.296	4.589	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)n1	748332990	AGPFVNSGNUFPFA-GOSISDBHSA-N	420.872	4.693	50	20	HJGD	
Cc1sc2ncnc(SCCC(=O)NNc3ccc(OC(F)F)cc3)c2c1C	748643116	CJJIPPSAQDKBRD-UHFFFAOYSA-N	424.498	4.535	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	748667990	VDHWDZYEACLMME-UHFFFAOYSA-N	421.482	4.731	50	20	HJGD	
CCCOc1ccc(Cl)cc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748693975	HGXYLIBDJZHTTR-UHFFFAOYSA-N	402.800	4.827	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)ccc1OCC(F)(F)F	750899528	IPUBGWBFSJSXAZ-DHDCSXOGSA-N	420.387	4.581	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2ccccc2SC(F)(F)F)c2ccccc2n1	756053966	COQYBGOBFKKFFC-UHFFFAOYSA-N	420.416	4.622	50	20	HJGD	
Cc1c(COc2ccccc2)cccc1NC(=O)NNC(=O)c1c[nH]c2ccccc12	756848942	RXPRFGCZNMSFDZ-UHFFFAOYSA-N	414.465	4.522	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cnc1O	757572462	PHFOGUNUHCTOOA-YVLHZVERSA-N	406.873	4.702	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H]1c1ncc[nH]1	759097358	WQQWHGLHHCLUIC-GFCCVEGCSA-N	403.398	4.593	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cn(Cc2ccccn2)nn1	762517630	BRTKLUIYUBDDHV-UHFFFAOYSA-N	405.352	4.631	50	20	HJGD	
C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H](C)S1	762664577	KVFZYLIRIMQRRJ-AOOOYVTPSA-N	404.426	4.635	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(Cl)c(F)c2)c1C	762722120	CCYMJFLCLJBNAY-GDXCHIGESA-N	417.912	4.670	50	20	HJGD	
CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C(\C#N)C(=O)Nc1ccccc1F	763283729	QGQOWGMEARPBSK-QGOAFFKASA-N	402.473	4.914	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1nc(-c2ccccc2)oc1-c1ccccc1	766678515	KIENPPPKVXQUHL-UHFFFAOYSA-N	413.462	4.770	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@@H]1c1ccccc1Br	768252927	OJFXGRRTEILVGX-KGLIPLIRSA-N	403.158	4.922	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	771688573	OESKMKGTPZBBSY-UHFFFAOYSA-N	417.440	4.818	50	20	HJGD	
N#C/C(=C\c1cnc2ccc(Br)cn12)C(=O)c1ccc(F)c(Cl)c1	773160250	NKIRXBSNZNJUFC-VZUCSPMQSA-N	404.626	4.679	50	20	HJGD	
COc1ccc(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	777849329	KRTOBLHSJHXOLZ-UHFFFAOYSA-N	417.421	4.874	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)NNc3nccc4sccc34)cccc21	779377021	GQHUMBLFEIVYAM-UHFFFAOYSA-N	424.526	4.741	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(OC)c(Br)n1	781600814	NVSVNNZTGLQWRD-UHFFFAOYSA-N	420.332	4.803	50	20	HJGD	
N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)CC2	782916006	VVJNXGWNVADZEL-UHFFFAOYSA-N	410.389	4.967	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OC)cc1	787153043	ABQXDSQPGVOJPH-PWDRSIHYSA-N	405.281	4.795	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1F	787178717	PAVKVMWQQBNTCJ-FOWTUZBSSA-N	404.397	4.878	50	20	HJGD	
CO[C@@H](C)C(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C	787960739	QSNHJADFQPXSPP-LBPRGKRZSA-N	402.405	4.944	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1	788009525	DFFFYQQXDSHIDF-QFIPXVFZSA-N	410.634	4.621	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c1	788258516	CFOSPURCUGMYOJ-HNNXBMFYSA-N	414.575	4.750	50	20	HJGD	
COc1ccc2nc(/C=C(/C#N)c3nc(O)c4c5c(sc4n3)CCCC5)sc2c1	788733249	RSKHKZKKYHPEJW-FLIBITNWSA-N	420.519	4.958	50	20	HJGD	
COc1ccc(NNC(=O)c2csc(-c3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1	794392529	HRTJVRHISYRYNO-UHFFFAOYSA-N	403.847	4.742	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1oc2ccccc2c1COc1ccccc1Cl	804769763	NFGIFAQOPONXSE-UHFFFAOYSA-N	411.820	4.956	50	20	HJGD	
CSSCCNC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21	807234038	WEHZUOQWHUMVGU-LBPRGKRZSA-N	407.424	4.639	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1ccc(-c2ccccn2)cc1	810334491	WUUTUVYUUSTALZ-UHFFFAOYSA-N	401.239	4.799	50	20	HJGD	
N#Cc1ccc(OCC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cc1	878640774	JLCVCWDBWDKWFX-MRXNPFEDSA-N	400.809	4.795	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCN(CC(C)C)CC2)c(C)n1C1CCCCC1	914879268	CGJVJJFZUGKSDO-PXLXIMEGSA-N	410.606	4.754	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c(C)c1	920210959	UJLKGANSKPMLNX-ZDUSSCGKSA-N	409.477	4.834	50	20	HJGD	
Cc1ccc(C)c(OCCCCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1	920288173	OSVUJPAUAYROLM-UHFFFAOYSA-N	409.313	4.621	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1cc(C2CC2)nc2ccc(Cl)cc12	1319541970	DHOVIANHCDQLET-UHFFFAOYSA-N	417.694	4.680	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(COc3cc(C)cc(C)c3)o2)c1C	1323869404	ZJAJGQVQUVGIHZ-NIQDBXHUSA-N	420.513	4.955	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H]2CCSc3ccccc32)c1C	1344597017	RKNMKFJMMWBIFW-JLFLUGMQSA-N	410.539	5.000	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C3(C(F)(F)F)CCC3)cc2)CCC1	1787937253	PIKZUFCKKNBQHJ-OAHLLOKOSA-N	416.871	4.871	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc(F)c3)CCC2)cc1	1790486195	XLXKBTIBMUJTDH-LJQANCHMSA-N	402.897	4.520	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cccnc34)CCC2)cc1	1790486516	CAPKPXIKARTXHM-HXUWFJFHSA-N	421.928	5.000	50	20	HJGD	
Cc1c[nH]cc1C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1843494295	RBBFNMFIRSVSQG-UHFFFAOYSA-N	422.013	4.890	50	20	HJGD	
COc1ccc2nc(S[C@H](C)C(=O)/C(C#N)=C3\Nc4ccccc4S3)[nH]c2c1	23471545	HFHIEZFJEWYTLL-PCGWCVDLSA-N	408.508	4.574	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1	214385961	NXGXHXZNPAUJJB-RHTHQAGFSA-N	414.461	4.716	50	20	HJGD	
CCCNC(=O)Nc1cccc(OC(=O)/C(C#N)=C/c2cc(C)n(CCC)c2C)c1	303214782	PYYNNHZPPHAXTI-CPNJWEJPSA-N	408.502	4.559	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ncon3)cc2)c(C)n1CCC(C)C	726930989	JRGDIJVXOXJWQW-UDWIEESQSA-N	403.486	4.747	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@H]2CCCOC2)c(C)n1-c1ccc(Cl)cc1	730789823	BDTMZRHMADKTOT-BDBXIWDTSA-N	411.933	4.540	50	20	HJGD	
Cc1ccccc1[C@@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)C(C)C	732676540	JZFXLQSMYSALBE-QFIPXVFZSA-N	421.497	4.508	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)[C@H]1CSc2ccccc21	735657770	XNBRFHVJUCFDLD-NSHDSACASA-N	417.250	4.801	50	20	HJGD	
COc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)cc(Cl)c1OCC(C)C	740133135	XTYKUTYLPLUODZ-UHFFFAOYSA-N	417.815	4.554	50	20	HJGD	
COc1cc(OC)c(NC(=O)NNC(=S)Nc2ccc(C(C)C)cc2)cc1Cl	741864304	CGZBTSKVCYHVRO-UHFFFAOYSA-N	422.938	4.504	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(OC2CCOCC2)cc1	741880378	JXSVLLSEDOFIJB-UHFFFAOYSA-N	415.704	4.962	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1	742939666	ZZZKTZNXJIIZKG-RFRKOGIWSA-N	422.872	4.573	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1Br)c1cccc(Br)c1	743441728	MOBXCJCJIKGNHB-UHFFFAOYSA-N	416.500	4.629	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H](c1ccccc1)c1ccc(F)cc1	743627949	LPMIGYIMJSZQEZ-HSZRJFAPSA-N	413.452	4.713	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc3ccccc3n2CC)c1C	743729829	JEQDQDPZEWDBPD-HDAKKWKLSA-N	403.530	4.669	50	20	HJGD	
Cn1cc(C(=O)NN=Cc2sc(Nc3ccccc3)nc2Cl)c2ccccc21	744782739	ZVHPKXPUKRFJTI-UHFFFAOYSA-N	409.902	4.796	50	20	HJGD	
COc1cc(C(C)=NNC(=O)Cc2c[nH]c3ccccc23)ccc1SC(F)F	746485755	OCLLUNZJCGNVET-UHFFFAOYSA-N	403.454	4.574	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)c1C	747397501	HBLUXZBEEREDBL-OJIOPUPCSA-N	420.557	4.674	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc(C2CC2)nc2ccc(F)cc12	748021622	HCOBAPFCNXPFHD-UHFFFAOYSA-N	400.251	4.771	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccnc(Oc2ccccc2)c1	748073995	KCAMYAYKDYAQIX-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
Cc1cc(O)c(C(C)C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	748128950	HUJXRTGRSFGUGQ-LYCWOWIHSA-N	421.541	4.967	50	20	HJGD	
Cc1nc(CCCC(=O)NNc2ccc(Br)cc2C(F)(F)F)cs1	749989146	BOTWVRKUBJZDRI-UHFFFAOYSA-N	422.270	4.699	50	20	HJGD	
COCc1nc2cc(NC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)ccc2o1	751052283	XIBPBWOUWWVDFA-NVMNQCDNSA-N	406.486	4.594	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1nc(-c2ccccc2)cs1	755625833	UFNKGHADVXJNTL-UHFFFAOYSA-N	404.520	4.626	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)c1	759319849	WJWANFBOVNASPU-UHFFFAOYSA-N	416.884	4.863	50	20	HJGD	
C[C@H](COc1ccccc1)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762638210	FYIXXMXNPASZCA-GFCCVEGCSA-N	424.391	4.866	50	20	HJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCCC(=O)O)c(OC)c2)cc1	763367178	AEKSZIRCLQMCIS-UEIJICEPSA-N	422.481	4.608	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1csc(COc2ccc(F)cc2)n1	763616543	TUMFGZOBHJWINR-UHFFFAOYSA-N	412.273	4.925	50	20	HJGD	
O=C(CCCCNC(=O)OCc1ccccc1)NNc1c(Cl)cccc1Cl	763617562	NYLVITYIDUBMBR-UHFFFAOYSA-N	410.301	4.533	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c(OCc2cccnc2)c1	766483272	GCVDJIFIFPRJGZ-ODLFYWEKSA-N	409.445	4.940	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccc(F)cc2)n1)c1ccc(COc2ccccc2)o1	767179832	IWSVOADSHDKVQX-UHFFFAOYSA-N	421.453	4.885	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)cc1	769680006	QKTDTEJZVUYYFC-UHFFFAOYSA-N	408.483	4.642	50	20	HJGD	
N#Cc1cccc(Oc2ccc(NC(=O)NNc3ccccc3C(F)(F)F)cn2)c1	769957134	ASEXHABVYAHBEO-UHFFFAOYSA-N	413.359	4.913	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)n1	770027399	SZDTZWODKPDGON-UHFFFAOYSA-N	408.462	4.658	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(NC(=O)NNc2cnc3ccccc3n2)cc1F	775650120	LRBKLHMLKXGKMT-UHFFFAOYSA-N	414.400	4.581	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1-c1nc(C2CC2)no1	775657837	RYGFMIJZLVKSBM-UHFFFAOYSA-N	421.354	4.921	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C	777477601	QZCWDNMKPOBUQB-UHFFFAOYSA-N	419.916	4.685	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ccccc2OC(F)(F)F)cc1	779208753	ATLSKAOGZYYVAD-UHFFFAOYSA-N	414.383	4.882	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)C2CCCC2)ccc1OCc1ccc(C(=O)OC)o1	781553550	ATPNXWXFWYXUNU-PDGQHHTCSA-N	423.465	4.710	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(Br)cc1NC(=O)[C@@H]1CCOC1	787960972	VUNXQWAJKFKNJC-CQSZACIVSA-N	414.416	4.946	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cc(Br)c(C)c(Br)c1	789147565	IMMKIXUSWVJYJC-WUXMJOGZSA-N	421.154	4.599	50	20	HJGD	
CCCN(N=Cc1cn(-c2ccccc2)nc1-c1ccncc1)C(=O)OC(C)(C)C	794997084	NURFVLVKKFWQHC-UHFFFAOYSA-N	405.502	4.915	50	20	HJGD	
CC(C)(C)C(=O)NNC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1	795257125	RVFFQPMEPHWVRE-UHFFFAOYSA-N	414.358	4.588	50	20	HJGD	
Cc1oc(C(C)C)nc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	796315369	LNRLBHDIELJPOC-UHFFFAOYSA-N	406.202	4.645	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(/C#N)C(=O)Nc1c(Cl)cccc1Cl	801647248	GZOZAFVGXNHCRK-UVTDQMKNSA-N	412.280	4.737	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OCc2ccc3occc3c2)c(-c2ccccc2)n1	802852224	RBCXOXYWDXAPQW-STZFKDTASA-N	422.444	4.860	50	20	HJGD	
CC(C)(C)c1ccc(-c2ccc(C(=O)NNc3ccc4c(=O)[nH]ccc4c3)o2)cc1	803435690	JUPRIFWCLWCYCH-UHFFFAOYSA-N	401.466	4.843	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@@H](C1CC1)C(F)(F)F	807546069	IIRFQYVLGGFATH-JTQLQIEISA-N	412.302	4.740	50	20	HJGD	
C[C@H]1CN(c2ccc(CNCc3ccc(OCCCCl)cc3)cc2F)C[C@H](C)O1	811474546	LDPAKDQUZDTPCQ-ROUUACIJSA-N	420.956	4.737	50	20	HJGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc2c(s1)CCCCCC2	916142163	JOZJIZFAACSMAF-UONOGXRCSA-N	402.482	4.537	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2ccc3ccccc3c2)cc(OCC)c1OCC	916290457	QPYJGOAXNKVWIT-UHFFFAOYSA-N	406.482	4.800	50	20	HJGD	
CC(C)C(CCc1ccccc1)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	917538775	OJAGFYJCTRQLCL-UHFFFAOYSA-N	413.736	4.999	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2cnn(-c3ccc(Cl)cc3)c2)n1	917621629	GWFGVAYBJHIZEL-RIYZIHGNSA-N	411.918	4.825	50	20	HJGD	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)NNc1ncc(C(F)(F)F)cc1Cl	918213079	NALAQNMHPQILFN-LLVKDONJSA-N	416.831	4.928	50	20	HJGD	
CC(C)CC[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)c1ccc(Cl)cc1	918231104	VXPHPWWKEQKTSI-HXUWFJFHSA-N	416.953	4.528	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1O	920068196	LKOFTQNSTHTWPE-AWNIVKPZSA-N	411.255	4.743	50	20	HJGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	920437358	SFINQWDUSROUCC-MNOVXSKESA-N	407.889	4.893	50	20	HJGD	
COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccc(C)c2)cc1	921185583	WHPZAPYWUNUIPQ-UHFFFAOYSA-N	412.493	4.672	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)nn1	1116097282	MGMLMFCMABSHNF-GOSISDBHSA-N	415.950	4.905	50	20	HJGD	
O=C(NC1CC1)[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	1116617284	YQVJAQCXJUPDMJ-NSHDSACASA-N	413.412	4.867	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)CCN2c3ccccc3Sc3ccccc32)nn1	1339253906	ZXBNLZSGURHTKB-UHFFFAOYSA-N	419.554	4.910	50	20	HJGD	
O=C(/C=C/C1CCCC1)NC1(c2ccc(NC(=O)[C@@H](F)Br)cc2)CCC1	1790538958	NBWGPPBZAKEPDB-PMQIGOLDSA-N	423.326	4.557	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820906707	LLIWKTIHVCXUFT-OFHUKCQUSA-N	406.958	4.556	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2C)CC1	1824615209	CHBLCRJEARUHIB-FGZHOGPDSA-N	419.009	4.944	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2Cl)CC1	1830309888	MSBZCDYWOAOJIX-GDBMZVCRSA-N	417.402	4.652	50	20	HJGD	
Cc1oc(C)c(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1C	15667912	WOVSMYPYBVMNIT-UHFFFAOYSA-N	412.873	4.512	50	20	HJGD	
CCSc1nnc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)s1	23896914	VXZRCLKXQNUCIE-SUFRGBFDSA-N	406.583	4.653	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc2cnn(C(C)C)c2nc1Cl	27542687	WSFJGDJYRUYZFU-OQLLNIDSSA-N	409.877	4.610	50	20	HJGD	
C=CCOc1ccc(C=NNC(=O)c2ccc(COc3ccccc3)o2)cc1Cl	727253621	JWMXGOHUUJOPHZ-UHFFFAOYSA-N	410.857	4.841	50	20	HJGD	
C#Cc1cccc(N(C(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)C(C)C)c1	728247421	DDRKCPWGDPNBTQ-WQZUMXOESA-N	403.526	4.642	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nn1)C(=O)Nc1ccc(Oc2ccccc2)cc1	728696058	LLYHNHGFLRBEPF-SDXDJHTJSA-N	407.433	4.605	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)c(C(=O)O)o3)cc2)c1	729937252	PMRINJMFNICMMO-LDADJPATSA-N	416.433	4.719	50	20	HJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCO2)C(=O)c1ccc(Br)s1	730435732	AGFJWPWZBUCXSY-BJMVGYQFSA-N	410.676	4.725	50	20	HJGD	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NNc1nc(-c2ccccc2)no1	732113609	YRLYHPMUBGBRKA-QBFSEMIESA-N	406.442	4.761	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cccc(COc3cccc(F)c3)c2)cc1C	734025726	CRPICBRWUKNETH-UHFFFAOYSA-N	423.513	4.653	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1[nH]c2ccc(Br)cc2c1Cl	735693958	AIYAKUATPBMQMG-UHFFFAOYSA-N	400.610	4.619	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(-c2nc3ccccc3s2)o1	740096850	FYSYGZUSBISOCY-UHFFFAOYSA-N	404.373	4.727	50	20	HJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ncccc1C(F)(F)F	740098051	SGOFENLAERJRER-UHFFFAOYSA-N	407.417	4.985	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2Br)cc1	742430949	FJGBISZXXKZGHR-JYRVWZFOSA-N	418.678	4.607	50	20	HJGD	
COc1cc(C(=O)NN=C(C)c2cccc(-c3ccccc3)c2)cc(OC)c1OC	746485005	QPXMXBBPKAKLGV-UHFFFAOYSA-N	404.466	4.533	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1C	747198123	TYXGJQKGNVBQOU-DVYUHDSYSA-N	410.543	4.676	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ccccc2Br)cc1	748058595	PLICROGCBZWCGO-UHFFFAOYSA-N	409.283	4.745	50	20	HJGD	
CCOc1ccc(-c2nc(C(=O)NNc3ccccc3Br)cs2)cc1	748058688	JXLBLULVLNESOP-UHFFFAOYSA-N	418.316	4.728	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1	748402306	KZGMXURESSPNGV-UHFFFAOYSA-N	415.419	4.537	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)c1C	752199195	WPTPKCCVVRXHGV-YBFXNURJSA-N	419.485	4.501	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc([S@](C)=O)cc2)c(C)n1C1CCCCC1	752446281	XSJPWVBUSAAJHT-VGYPXPETSA-N	423.582	4.571	50	20	HJGD	
C[C@@H](c1ccccn1)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762647842	UVEPNJDCCOWQKG-NSHDSACASA-N	409.380	4.897	50	20	HJGD	
Cn1ccc([C@H](NC(=O)NNc2ccccc2C(F)(F)F)c2ccc(Cl)cc2)n1	763166269	ULNLLDYGBPTABU-QGZVFWFLSA-N	423.826	4.508	50	20	HJGD	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NNc3c(Cl)cccc3Cl)n2)n1	763612128	HISFHOXXOWUTAA-UHFFFAOYSA-N	410.692	4.601	50	20	HJGD	
C[C@H]1CN(CCCNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCO1	763876846	LGMLWHZPFFAIQB-ZDUSSCGKSA-N	417.444	4.966	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F	764891978	PZIYQZSTROVZKP-CHHVJCJISA-N	420.343	4.643	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2OC(C)(C)C)c1C	766574234	UUDPCNLXACMZSX-LDADJPATSA-N	413.493	4.613	50	20	HJGD	
Cc1cc(Sc2ncccn2)ccc1NC(=O)NNc1nc2ccccc2s1	769991718	FQRTWDQRJWXAOQ-UHFFFAOYSA-N	408.512	4.695	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)noc2-c2ccccc2)c1C	770011311	CRHVMZMYJKEKER-IXGURIBZSA-N	418.497	4.821	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc3cc(Br)ccc3c2)c1	773049936	LTDZQJNJMXAGHH-UHFFFAOYSA-N	414.328	4.542	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(-c2cccnc2)nc2ccccc12	775266083	DPZZZWRTTPEJOB-UHFFFAOYSA-N	410.264	4.756	50	20	HJGD	
O=C(NNc1c(F)cccc1F)Nc1cccc(COCC(F)(F)C(F)F)c1	775524976	VMVZGYPCHSVTBQ-UHFFFAOYSA-N	407.314	4.530	50	20	HJGD	
COCCOc1c(Cl)cccc1NC(=O)NNc1cccc(C(F)(F)F)c1	775570237	XGNDMHVQTSLWMU-UHFFFAOYSA-N	403.788	4.533	50	20	HJGD	
COc1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c(OC)n1	777617612	WABXTCNQWPFFHH-UHFFFAOYSA-N	420.381	4.557	50	20	HJGD	
COc1ccc(NNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)nc1	781528219	VTBFBOPNKTWNQQ-UHFFFAOYSA-N	423.856	4.826	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)c(OCCOC(C)C)c1	789821308	SOLQKRJMFWCOIZ-UHFFFAOYSA-N	413.301	4.563	50	20	HJGD	
CC(C)CCn1nc(C(=O)NN=C[C@@H](c2ccccc2)C(C)C)c2ccccc2c1=O	794483120	UTMITYMUXCSOOW-JOCHJYFZSA-N	418.541	4.598	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/C(C)=C\c2ccccc2OC(F)F)cc1	811687969	UKESFSRGZWFPSK-HLXKFHDQSA-N	411.408	4.738	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CC2CCC1CC2	816013613	URVQXVNKRIFHQL-QIMFLAQGSA-N	419.437	4.975	50	20	HJGD	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)N(C)CC(Cl)Cl)cc1	819846757	BBIWRPFFKXGLSF-UHFFFAOYSA-N	411.354	4.602	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(C)cc3)c3ccccc3n2)cc1OC	912596284	GVOKWGREWGHBLQ-UHFFFAOYSA-N	413.477	4.984	50	20	HJGD	
CCN(Cc1ccc(Cl)cc1)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	914502224	UUONPTAEGWLFGN-RHLNUJDMSA-N	413.949	4.921	50	20	HJGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1nn(CCC(C)C)c(=O)c2ccccc12	916335561	UIMIHWSUXPITHX-XLVHISEJSA-N	408.546	4.851	50	20	HJGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	916340451	UQCFSHVOVHNVSL-LBPRGKRZSA-N	403.866	4.520	50	20	HJGD	
CC(C)Oc1ccccc1[C@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	916488342	HSQMYTXCJVWRKB-HNNXBMFYSA-N	415.559	4.509	50	20	HJGD	
COc1ccccc1Nc1nc(Cl)c(C=NNC(=O)c2ccc(Cl)cc2)s1	916540111	OFYIJSCRAMDICR-UHFFFAOYSA-N	421.309	4.966	50	20	HJGD	
COCc1c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])sc2cccc(F)c12	917213862	XZPCWUBRWQLXSR-UHFFFAOYSA-N	409.826	4.505	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCN(C(C)(C)C)CC3)c2C)c1	919850760	CUHPLOCDDYBVQX-CJLVFECKSA-N	418.585	4.689	50	20	HJGD	
CC(=O)Nc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)ccc1Cl	920350956	NVQSDMWUFUSAIM-GIJQJNRQSA-N	412.921	4.918	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(F)c3)CCC2)cc1	1790489652	IDXITZFMWVPVHF-INIZCTEOSA-N	406.860	4.730	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2Cl)CC1	1830309895	MSBZCDYWOAOJIX-HOCLYGCPSA-N	417.402	4.652	50	20	HJGD	
C=CCn1c(S[C@@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)nc2ccccc21	24269930	YCVPWSATNGBSHX-AWEZNQCLSA-N	401.495	4.545	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cc2c(s1)-c1ccccc1OC2	26962116	DXUZYLHFXPLXMO-UHFFFAOYSA-N	423.563	4.810	50	20	HJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1OC	32790994	YHMQQSOGPDWICE-RVDMUPIBSA-N	402.372	4.824	50	20	HJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC	206862232	GNSFPQVAMXASDM-NTUHNPAUSA-N	421.280	4.955	50	20	HJGD	
C[C@@H](Sc1nnc(CCC2CCCCC2)o1)C(=O)C(C#N)=C1Nc2ccccc2N1	727266410	YBCAJBBOLDTEKJ-CQSZACIVSA-N	423.542	4.905	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2)nc1O	729276890	NMOZBSDMZQBGFH-UHFFFAOYSA-N	418.678	4.627	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNc3nc(-c4ccccc4)no3)c(F)c2)cc1C	730589031	ODNFMIBKDJHYEQ-UHFFFAOYSA-N	402.429	4.916	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNC(=O)NCCc3cccs3)sc2c1	732656386	ACJKCQURONRWPA-UHFFFAOYSA-N	421.975	4.926	50	20	HJGD	
COc1ccc2[nH]cc(CCNC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)c2c1	733176330	FQENKSQJDGTTLA-SRZZPIQSSA-N	418.541	4.517	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1F)c1cc(F)ccc1Br	733204114	HEXKKRXRVOPHMM-UHFFFAOYSA-N	407.136	4.510	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)cs1)C1CC1	734305589	DAUBSDMTOAUUMX-IZZDOVSWSA-N	400.916	4.986	50	20	HJGD	
CCc1cc(NNC(=O)[C@H](C)c2c(Cl)cccc2Cl)nc(-c2ccccn2)n1	738531774	MHTIGFXTVCIDSZ-GFCCVEGCSA-N	416.312	4.655	50	20	HJGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1ccc(SCC(F)(F)F)cc1	741760112	SEIWOTSHBVPUKK-UHFFFAOYSA-N	420.254	4.586	50	20	HJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	746340336	GBJNDEHJYOKPER-XNTDXEJSSA-N	405.281	4.954	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2	748667297	KVVRIBIJOFBDTC-UHFFFAOYSA-N	416.930	4.990	50	20	HJGD	
Cc1c(NNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cccc1[N+](=O)[O-]	748694673	XXLXJEUTAMIAHQ-UHFFFAOYSA-N	424.404	4.608	50	20	HJGD	
CNC(=O)C1CCC(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752987888	OXXAAOLDSAKRTE-UHFFFAOYSA-N	401.401	4.770	50	20	HJGD	
Cc1nc(O)c(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1-c1ccccc1	754153751	MPKIHNARVQUYIF-UHFFFAOYSA-N	405.351	4.677	50	20	HJGD	
Cc1cccc(COc2cccc(C(=O)NNc3nc(C(F)(F)F)cs3)c2)c1	755857985	CPFLFXOUWPJBNR-UHFFFAOYSA-N	407.417	4.806	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2nnc(-c3ccccc3)s2)c1C	760016189	KPPSHJURPLCIQI-MOSHPQCFSA-N	419.554	4.647	50	20	HJGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)[C@@H](C)C1	761249933	MEOVEQCXJNDOHE-HOTGVXAUSA-N	419.481	4.580	50	20	HJGD	
Cc1cnc([C@H](C)NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)s1	762677635	ODKVQRGXPXMSPT-VIFPVBQESA-N	415.409	4.925	50	20	HJGD	
COc1ccc(/C=C2/N=C(SC/C=C/C#N)N(c3cc(C)cc(C)c3)C2=O)cc1	763299363	UPHOTUWEERWBDI-YJZSFHHLSA-N	403.507	4.869	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NNc1ccc([N+](=O)[O-])cc1	768244112	MLGXTEHYPKRPAA-UHFFFAOYSA-N	423.281	4.711	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1cnc2ccccc2n1	774788722	SVPJDURCPUEGIX-UHFFFAOYSA-N	420.476	4.548	50	20	HJGD	
O=C(O)[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1cccs1	776450550	HWVIWYJXSXDBQA-NSHDSACASA-N	423.406	4.510	50	20	HJGD	
Cc1ccc2nc(COc3ccc(C(=O)NNc4ccc5ccccc5n4)cc3)cn2c1	777467152	WYVMLFFVWUAKNS-UHFFFAOYSA-N	423.476	4.527	50	20	HJGD	
Cc1nc(C)c(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)s1	777976822	YJIVSNOQEXWZQJ-UHFFFAOYSA-N	408.439	4.896	50	20	HJGD	
COc1ccc2nc(NNC(=O)CCc3ncc(-c4ccc(C)cc4)o3)c(C)cc2c1	778477313	YZADIYXUMPISER-UHFFFAOYSA-N	416.481	4.591	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccccc2OC(F)(F)F)c1	779209342	UWQMKJINOJGIFS-UHFFFAOYSA-N	411.380	4.689	50	20	HJGD	
Cc1cc(Cl)c(NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)cc1Cl	784801731	WQFXWWLIFUJQKF-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c1	788258517	CFOSPURCUGMYOJ-OAHLLOKOSA-N	414.575	4.750	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1C	789998347	ALHNYEFAAZSBKA-PACYTGELSA-N	422.554	4.670	50	20	HJGD	
COc1cc(NNC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)ccc1Cl	790176587	YHLSPRBPGYLCBB-UHFFFAOYSA-N	406.873	4.753	50	20	HJGD	
C[C@H](CBr)COC(=O)CCc1ccccc1NC(=O)OC(C)(C)C	790747220	USGATGRPDFLGIC-CYBMUJFWSA-N	400.313	4.540	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1nc(-c2ccccc2)oc1-c1ccccc1	791067118	PZTXMDGKGVVNHB-UHFFFAOYSA-N	418.384	4.813	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1	794687023	DWGJBPQMASMABN-JQFNYASXSA-N	410.399	4.675	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(-c3ccccc3)no2)c1C	801075293	TXLZVBDBCDEIDY-DEDYPNTBSA-N	404.470	4.605	50	20	HJGD	
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	806183815	KTUCTJGAZNMSQR-XPKDYRNWSA-N	421.916	4.996	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc3sccc3c2)c1C	811589576	YEYPNTSGNUOWBZ-BTZNOAQDSA-N	407.539	4.750	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2c(-c3cccc(Cl)c3)noc2C)cc1C	812720467	HVTPEHQQWCDSLH-UHFFFAOYSA-N	413.861	4.545	50	20	HJGD	
C[C@@]12CCN(C(=O)C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)C[C@H]1C2(F)F	815658473	CRCVXDCBDSMBQX-BXUZGUMPSA-N	420.350	4.786	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2	817011032	CMSRRPGFPMBVKZ-UHFFFAOYSA-N	416.312	4.600	50	20	HJGD	
CCOc1ccc(NNC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1	817879696	NYWUZZFRJYYLLH-UHFFFAOYSA-N	413.474	4.604	50	20	HJGD	
CC[C@@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	914466699	NTPSBGICJBUWPF-NGIIGVMLSA-N	423.520	4.681	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2cccc(F)c2)C(C)C)c(C)n1C[C@H]1CCCO1	914503066	YAAUFEQCDAHDKK-RWTNITNYSA-N	423.532	4.767	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)N(C)C)cc2)c(C)n1C1CCCCC1	915160395	WAHNVJLXSRNUIZ-QNGOZBTKSA-N	419.525	4.825	50	20	HJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3ccc(Br)cc3)c12	918320145	SMKOYWSUNQEMBQ-UHFFFAOYSA-N	415.291	4.743	50	20	HJGD	
O=C(NN=Cc1cscn1)c1ccc(CSc2nc3ccccc3s2)cc1	918707867	RFAIJVPOAOZJMQ-UHFFFAOYSA-N	410.549	4.809	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2cccc(C#N)c2)c1)c1nc(N)c2ccccc2n1	1337447282	YURSXDXDSCBAEC-UDWIEESQSA-N	403.445	4.727	50	20	HJGD	
Cc1cc(C)nc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)c1	1786012018	XRCGTBUQCJRGKG-UHFFFAOYSA-N	413.949	4.711	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3sccc3OC)CCC2)cc1	1786445175	WDKSVZQHEKRCHB-MRXNPFEDSA-N	420.962	4.912	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H]3C)cc2)CCC1	1789214991	YWKVSSXNTYDENM-WBAXXEDZSA-N	421.379	4.730	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3)CCC2)cc1	1790492165	UTPNIANWRFAVJX-OAQYLSRUSA-N	419.352	4.600	50	20	HJGD	
COc1cc(C)c(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)c(C)c1	1790750579	YBXTUDVJDCDXEB-LJQANCHMSA-N	418.896	4.594	50	20	HJGD	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc(OC)c1O	139464741	NHYDRUAMBQITKN-SXGWCWSVSA-N	412.873	4.645	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2cccs2)c1	725741110	YIOMHOYNYJVIDZ-UHFFFAOYSA-N	406.294	4.804	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(SC(F)F)c2)c1C	727344668	QCNANEDEOHTJKN-MHWRWJLKSA-N	405.470	4.612	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2scnc2C)c1C	731174348	WHXHNJICHRHIKR-JAIQZWGSSA-N	404.539	4.733	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccccc2Oc2ccccc2)c1C	734257445	YNWSSUAZUGXLPE-UHFFFAOYSA-N	411.465	4.705	50	20	HJGD	
N#C/C(=C\c1ccc(-c2c(F)cccc2F)o1)c1nc(N)nc(Nc2ccccc2)n1	734483990	QAAHXRCVVJVYBW-ACCUITESSA-N	416.391	4.800	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)c1ccc(F)cc1F	737645376	QAZRXVXCVHPBBE-JOMNMOIBSA-N	415.484	4.765	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1C	739629948	XLDSEWSYAWMRPN-CBIIRDDDSA-N	407.514	4.618	50	20	HJGD	
CCOc1c(Br)cc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc1OC	741469880	OBSPDKZAUHVGPN-QPEQYQDCSA-N	413.275	4.500	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1c2c(nc3ccccc13)CCC2	741977629	QTUCKCCDDIRAPL-UHFFFAOYSA-N	418.241	4.521	50	20	HJGD	
O=C(NNc1ccccc1F)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1	748059049	DXPXOUBSQLNENT-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(F)ccc1Br	753175558	BWZWCTMDGIGTME-UHFFFAOYSA-N	416.088	4.670	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3cccnc3Cl)c2C2CC2)cc1Cl	754483449	DPSAGAUZAUUNOA-UHFFFAOYSA-N	402.285	4.517	50	20	HJGD	
CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@@H](Br)C(C)(C)C)cc1	768199885	MPVCBJJIJDTGRT-CQSZACIVSA-N	400.313	4.773	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(-c2ccccc2)nn1)c1cccc(C(F)(F)F)c1	769181520	YYGPUFBCXDIBNF-UHFFFAOYSA-N	400.404	4.583	50	20	HJGD	
N#Cc1cc(Cl)c(C(=O)NNc2ccc(Br)c(F)c2)c(Cl)c1	771688345	BQJSTTREMGYZGW-UHFFFAOYSA-N	403.038	4.524	50	20	HJGD	
CSc1cc(/C(C#N)=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)ncn1	773176202	KMSNQCJINORRSI-QPEQYQDCSA-N	411.487	4.543	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	778446962	MIRMRBIJYSWHIU-GOSISDBHSA-N	405.857	4.990	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(-c4ccc(Cl)cc4)on3)c(C)cc2c1	778479346	VYYDKJLKJIZZFG-UHFFFAOYSA-N	408.845	4.617	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1	781042110	VDRUGVZAFPYWPW-UHFFFAOYSA-N	413.477	4.542	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)Cc1csc(Cc2cccc(Cl)c2)n1	787499107	NUHGXTLYBWOBDK-UHFFFAOYSA-N	422.941	4.930	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)O[C@@H]2C=CCCCCC2)c(-c2ccccc2)n1	793398365	IYRZWJHMVHFPHL-WHZYWKALSA-N	400.482	4.803	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	797398549	PPLPPOIQPOWBKU-JLHYYAGUSA-N	413.264	4.733	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cn1	799519672	NPRWFOCPDXQDSY-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H](Sc1ccc(F)cc1)c1ccccc1	803436230	XEDCECVLRZNIOY-NRFANRHFSA-N	419.481	4.644	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H]1COc2ccccc2[C@@H]1O	808843102	LINIRVVHTRTREZ-HIFRSBDPSA-N	410.364	4.960	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(C(F)(F)F)cn1)c1ccc(F)c(Br)c1	812550236	WASURFLOBXOZPQ-VIFPVBQESA-N	420.204	4.639	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(-c2ccccc2)[nH]1	817014573	OLJAQINLULWDFO-UHFFFAOYSA-N	414.309	4.871	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(C)n1CC(C)C	914501269	BREYGSAKXVAADR-WYMPLXKRSA-N	402.542	4.977	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1cccnc1	915048693	URRGSRLBLIMTMM-UHFFFAOYSA-N	417.509	4.731	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cn(CCC#N)c2ccccc12	916336977	VGPXOFGVACTMIX-SFHVURJKSA-N	410.477	4.626	50	20	HJGD	
CN(C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CCCCC1	918285136	ANIXRXXAOIPSBX-INIZCTEOSA-N	408.873	4.636	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2OCC(C)C)c1C	918666987	VHALFGKPQYTSHV-AOOMUMSASA-N	423.557	4.571	50	20	HJGD	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	919760527	PUUZIUXNYHNCSQ-NEIHUHTASA-N	420.557	4.835	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccc(Cl)c1F	1324303517	VNAFSWOGMPXLOE-UHFFFAOYSA-N	401.669	4.669	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccnc3Cl)cc2)CCC1	1785753781	MMYOUQZABFCEAY-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
C[Si](C)(C)OCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1	1788879913	LBILMPWWKBXPDX-UHFFFAOYSA-N	420.969	4.532	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Nc3ccccc3)cc2)CCC1	1789467736	LYCXRPATMYSTKK-OXQOHEQNSA-N	413.949	4.639	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1	1829009439	NKUYBEKAVQUSQF-KUOZIZRBSA-N	420.981	4.628	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	18955792	GWROPWPYLNPRSP-PXLXIMEGSA-N	424.456	4.580	50	20	HJGD	
CC(C)CNc1nnc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)s1	206880770	RDGHIFNSIMIHGY-SPSOFYIISA-N	417.585	4.609	50	20	HJGD	
O=C(NN(c1ccccc1)c1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1	302756721	RBADGIGOMAINOS-FQEVSTJZSA-N	414.509	4.800	50	20	HJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1C	727828257	SHECJAODLRLUMS-UNOMPAQXSA-N	413.477	4.655	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cccc(Br)c1	729275740	SSWIDHFACRGUCX-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)C(=O)Nc2ccccc2)c(C)n1C1CCCCC1	732542310	KMUZOUDSHDWSRS-AFDUHFSSSA-N	418.541	4.661	50	20	HJGD	
CCc1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)on1	741190095	DBKVHFKKNNLTOC-RQZCQDPDSA-N	408.889	4.521	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2c(Cl)ccc(Cl)c2Cl)o1	746494826	UNCWNRSIUWZWLW-UHFFFAOYSA-N	402.709	4.846	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)o1	746520260	QRDNQSODUXAQAE-SFHVURJKSA-N	410.861	4.586	50	20	HJGD	
COc1ccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)cc1	746886930	NEOFKYWJQNVOIU-UHFFFAOYSA-N	412.493	4.922	50	20	HJGD	
COc1cc(C(=O)NN=C[C@@H](C)c2cccc(Br)c2)ccc1OC(C)C	747629393	CMFJGEXCALCZMP-CQSZACIVSA-N	419.319	4.764	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3ccccc3Br)cs2)c1	748058870	NRXUPLJQFOINIY-UHFFFAOYSA-N	402.317	4.567	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccccc1COc1ccccc1	748185681	ZPZLKMUZKMVXIV-UHFFFAOYSA-N	415.262	4.924	50	20	HJGD	
CCOc1ccc(-c2nc(C(=O)NNc3ccc(OC(F)F)cc3)cs2)cc1	748637775	BNKSKLIGGMWYRD-UHFFFAOYSA-N	405.426	4.567	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(-c3cccc(C)c3)o2)c1C	749271978	ABQNLMIRSMLUAG-FYJGNVAPSA-N	418.497	4.914	50	20	HJGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3	749886289	KGQCTNDAZLNWHZ-GXDHUFHOSA-N	400.463	4.995	50	20	HJGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1	750323547	WDRNSKOIENNUSJ-QFIPXVFZSA-N	421.928	4.587	50	20	HJGD	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NNc1ccc(C#N)c(Cl)c1	753322947	RXZPKDFZOSKJFF-UHFFFAOYSA-N	419.794	4.686	50	20	HJGD	
COC(=O)CCCN1CCC(Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	765922059	XUJIXTLQHVAPGT-KRWDZBQOSA-N	424.916	4.735	50	20	HJGD	
C[C@@H]1Oc2ccc(NC(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc2NC1=O	769943589	VAZUWWFBRGLJOP-ZETCQYMHSA-N	415.664	4.515	50	20	HJGD	
Cc1cccn2cc(COc3ccccc3C(=O)NNc3c(F)cccc3Cl)nc12	770190706	LHBWSTVUPJRQHQ-UHFFFAOYSA-N	424.863	4.771	50	20	HJGD	
N#C/C(=C/c1ccc2ccc(Br)cc2n1)C(=O)c1cccc2c1OCCO2	771519276	BWFNVNRYLDBFDY-UVTDQMKNSA-N	421.250	4.558	50	20	HJGD	
Cn1cc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(-c2ccccc2)n1	771520347	KBBJGKXZLQXRBN-SXGWCWSVSA-N	418.305	4.732	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc3ccc(Br)cc3n2)cc1	771521170	RBTDSQDODRNUCW-PTNGSMBKSA-N	422.282	4.942	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1OC	774557360	DYUJJZZUZSGIBQ-AUWJEWJLSA-N	403.232	4.747	50	20	HJGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])c(OC)c3)o2)cc1	774559208	FZRIWWSKVHYHGT-BOPFTXTBSA-N	404.378	4.714	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(C(F)(F)F)cn3)c(F)c2)cc1	775256880	WLXFSKCFRKKFBC-UHFFFAOYSA-N	405.351	4.672	50	20	HJGD	
O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NNc1ccc2ccccc2n1	777463183	HKNHIDXUZLEXJN-UHFFFAOYSA-N	424.913	4.610	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)c1c[nH]c2ccccc12	783701742	ZOKWJRAKKATFRU-KPKJPENVSA-N	408.248	4.845	50	20	HJGD	
O=C(NNc1ccccc1Cl)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1	784770881	PWZYRMMGRVJLHY-UHFFFAOYSA-N	416.264	4.868	50	20	HJGD	
C[C@@H](CBr)COC(=O)Cc1csc(Cc2cccc(Cl)c2)n1	787012578	HHJNCUCKMSVWGG-NSHDSACASA-N	402.741	4.504	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1O	787143807	CNIFNCFDQGWLLE-UGMNDJHYSA-N	405.281	4.882	50	20	HJGD	
COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	787209451	BXZGCPUDYRQBJT-VEWQMQJVSA-N	416.452	4.547	50	20	HJGD	
Cc1cc(CN2CCN(Cc3ccc(CO[Si](C)(C)C(C)(C)C)cc3)CC2)on1	788008100	IJTRRMUYFQUSGT-UHFFFAOYSA-N	415.654	4.823	50	20	HJGD	
COc1cc(NNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)ccc1Cl	790189807	UPPJXGFTJQWKKF-UHFFFAOYSA-N	411.676	4.598	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc3c(c2)CCN3Cc2ccccc2)n1	794691001	LTMNMEIXAROYMM-MOSHPQCFSA-N	415.518	4.947	50	20	HJGD	
Cc1cc(Br)c(C(=O)NNc2ccc(Br)cc2)cc1Cl	804466904	QXPHHBUPMKTXGS-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	806864058	BJEFYODDYITWQO-SOUVJXGZSA-N	419.451	4.607	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1sc2ccccc2c1Br	810326280	OBUPHKAOSHFKQU-UHFFFAOYSA-N	401.207	4.838	50	20	HJGD	
Cc1cc(C(C)(C)C(=O)NNc2ccc(C(F)(F)F)cn2)ccc1Br	811162480	CWTMWRGRQIIQLP-UHFFFAOYSA-N	416.241	4.592	50	20	HJGD	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NNc1ccc(F)cc1	915289520	GLZMGOIZRXQJMU-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	916336032	TYEDWQFUQZTFSR-GFCCVEGCSA-N	403.866	4.520	50	20	HJGD	
O=C(NNc1ccc(F)cc1)[C@@H](Oc1ccccc1Br)c1ccccc1	918014329	TWJNGDQYFHKBQU-IBGZPJMESA-N	415.262	4.852	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc(OC(C)C)cc2)c(C)n1C[C@H]1CCCO1	918532476	ULJUOEYYUQHWFG-RWTNITNYSA-N	422.525	4.722	50	20	HJGD	
O=C(CCNC(=O)c1ccsc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918558225	CADCLVPAEZFKQV-OAHLLOKOSA-N	422.881	4.726	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OC(F)F	920833218	CXTBDZDTVFIETH-MHWRWJLKSA-N	415.396	4.867	50	20	HJGD	
Nc1cnnc(NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)c1Cl	1116298709	XEWILTLWGPEXTM-UHFFFAOYSA-N	414.705	4.504	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccnc2)c(C)n1-c1cccc(C(F)(F)F)c1	1317953021	OFNXRDBXAOKQJP-VXLYETTFSA-N	424.426	4.731	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1ccc(C(C)(C)C)nn1	1323002035	RTYZTWFZAICQHV-UHFFFAOYSA-N	401.923	4.616	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc3ccc(C)cc3nc2Cl)cc1	1324407567	JQXCPKBJUPPSGB-IYSPOMMRSA-N	405.885	4.990	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2C)c([N+](=O)[O-])cc1OCC(F)(F)F	1324502835	RGLCKXFGPISYDB-VGOFMYFVSA-N	420.343	4.643	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2)CCC1)[C@@H](F)Cl	1786030472	WJBYMJJDDQUNBV-GUDVDZBRSA-N	418.871	4.598	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1sccc1Cl	1789903148	LVDTVGWDJLBDRV-UHFFFAOYSA-N	417.745	4.953	50	20	HJGD	
O=C(/C=C/C1CCCC1)Nc1ccc(C2(NC(=O)[C@H](F)Br)CCC2)cc1	1790515525	ONBXBNJAGGYALY-QKIXSCASSA-N	423.326	4.557	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)CCC1	1790560379	DAXHFDQAWHABEW-OXQOHEQNSA-N	414.933	4.605	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(F)CC1	1801478860	JXBLWIZZFUHGPD-REPLKXPHSA-N	414.993	4.876	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)CC1	1823718881	WDFAYQLJKVMJSX-QUDYQQOWSA-N	423.022	4.789	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1	7907158	KCQBCUBYCBCPKX-NDWLXSOOSA-N	419.488	4.719	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)NCc2ccccc2-c2ccc(Cl)cc2)cc(C#N)n1C	726784123	QXGWGODVHSHRGS-RGVLZGJSSA-N	414.896	4.749	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)N2CCCC2)c(C)n1CC(C)C	728081795	QZEAQLGLMOJXLL-KGENOOAVSA-N	418.541	4.543	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ncc(C(C)(C)C)s2)c1C	742807556	HQKHGMYCUQZHJC-VEJKBTLKSA-N	400.548	4.612	50	20	HJGD	
CC[C@H](NC(=O)NNc1ccccc1C(F)(F)F)c1nc(C(F)(F)F)cs1	745936044	XRNVRQKJQFMJJF-VIFPVBQESA-N	412.359	4.958	50	20	HJGD	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(Cl)cc2Cl)c1	748017698	MIUQNEJXCUCBHF-UHFFFAOYSA-N	400.693	4.998	50	20	HJGD	
C[C@H](C(=O)NNc1ccccc1Br)c1ccc(Br)s1	748058277	GSJZTPGXESVGLV-QMMMGPOBSA-N	404.127	4.520	50	20	HJGD	
CCCCCn1nc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	748761020	ZYLLGRKSMDLSKF-AMUNLKFJSA-N	423.561	4.525	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC2(c3ccc(F)cc3)CCC2)c1C	749624970	IMAIDVBCLKZZHH-KOMLCTQHSA-N	423.532	4.597	50	20	HJGD	
Cc1ccccc1C(C)(C)CNC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	750774428	HJRJIQLYQYOWFL-SINAZASISA-N	419.569	4.593	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1c[nH]cc1-c1ccc2c(c1)OCCO2	768007463	KXQJAHNTAQYXEZ-UHFFFAOYSA-N	422.243	4.656	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccccc2C(F)(F)F)c1C	768750630	ZCHPTLAKQBKJGH-HNIBHBHRSA-N	420.431	4.982	50	20	HJGD	
Cc1cc(C(=O)NNc2ccnc(Br)c2)c(C)n1[C@@H](C)c1ccccc1	771547279	NLIWQWZWBNADAD-AWEZNQCLSA-N	413.319	4.629	50	20	HJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncc(Cl)cc1Cl	775270696	ROAKGDUAGUYWKM-UHFFFAOYSA-N	401.275	4.556	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1ncc(Cl)cc1Cl	775273108	PGFOYYNWQWMHKK-UHFFFAOYSA-N	404.301	4.629	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1	777479077	QWALVMLJYLRTPA-UHFFFAOYSA-N	410.449	4.786	50	20	HJGD	
O=S(=O)(NCc1cc(Cl)ccn1)c1cccc(S(F)(F)(F)(F)F)c1	778052726	KTALZZMPKRINKN-UHFFFAOYSA-N	408.801	4.871	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@@H]1C[C@@H]1c1ccc(Br)cc1	779201673	UADIUSZUPVAJEX-CHWSQXEVSA-N	415.209	4.595	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)ccc1OC(=O)C1CC1	780526480	GKMJGDGOTWTVLX-SXGWCWSVSA-N	415.367	4.819	50	20	HJGD	
CN(NC(=O)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1)c1ccccc1	783433464	RZNUZTMKXDSQFJ-UHFFFAOYSA-N	411.914	4.597	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	783461085	KZMKVKJPPQJKRT-OUJBWJOFSA-N	405.410	4.585	50	20	HJGD	
N#Cc1ccccc1OCc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)o1	791733402	JXISWAJYYCWIHQ-UHFFFAOYSA-N	402.237	4.794	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	792300748	CGYMEUSFOUXYDW-OAQYLSRUSA-N	415.497	4.516	50	20	HJGD	
O=C(NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc2c(c1)OCCO2	799476606	ORSYTMVZQSGYHV-CQSZACIVSA-N	404.388	4.530	50	20	HJGD	
CO[C@@H](C)c1nsc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)n1	800990306	QEYIWIYZTZHOFB-GYKGCMEESA-N	421.526	4.507	50	20	HJGD	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NNc2nccnc2C2CCC2)c1	805465801	SRZPCMQVJZQJDO-UHFFFAOYSA-N	419.872	4.818	50	20	HJGD	
Cc1ccc(NC(=O)NN=C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c(Cl)c1	814856510	LXTYMXIOYRNVEP-LLVKDONJSA-N	422.835	4.601	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1	817904810	RNUMHRLUGUNJSZ-UHFFFAOYSA-N	403.198	4.624	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1	849210153	DYALNRNNTRZCIH-ZSOIEALJSA-N	422.790	4.756	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1C	881444853	UQUGYPUKYPWLQP-ZHZULCJRSA-N	406.530	4.589	50	20	HJGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1c(-c2ccccc2)n(C)c2ccccc12	916333813	AVASGAYZHVIBNA-QGZVFWFLSA-N	415.468	4.902	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(Cl)cc1Cl	916360366	RUGMEFMEDCRLSL-UHFFFAOYSA-N	421.715	4.964	50	20	HJGD	
CCc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)c2ccc(N)cc2)cc1	916539685	DEROMBZCUGVXGL-UHFFFAOYSA-N	423.520	4.507	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1	1790490163	WUSFAUQYUIUMCU-FQEVSTJZSA-N	409.917	4.518	50	20	HJGD	
C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1)c1cccs1	1814700250	GSLVPDHPGJSRQL-DZGCQCFKSA-N	422.982	4.532	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1	1820860160	HMPAHNIKLGEOLW-LSTDLKDCSA-N	423.001	4.882	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)cccc2Cl)[nH]n1	1820860829	XLTCIVOSUFVDSD-CZUORRHYSA-N	423.344	4.695	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)cc2)CC1	1831519790	YXFBPJSFWAEMNB-FGZHOGPDSA-N	419.009	4.565	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCC(=O)Nc1ccccc1	16407982	GIZVGAUXEMMUHZ-QGOAFFKASA-N	406.482	4.625	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1cccs1	51102950	VZYYTYNRJSACQX-PTNGSMBKSA-N	401.447	4.916	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1	64858457	ZMDGFXHDJQHBAA-YZYPPFLQSA-N	418.472	4.503	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(C(N)=O)oc3ccccc23)c(C)n1CCC(C)C	728303532	WYPFARVHCWFSLI-LDADJPATSA-N	418.497	4.542	50	20	HJGD	
O=C(NN=Cc1csc(-c2cccs2)n1)c1cc(F)ccc1Br	728435562	FAKMKHVXIYAYGY-UHFFFAOYSA-N	410.293	4.537	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c(C)n1CCC(C)C	728498225	PTKPHJMCDLFMIO-BKUYFWCQSA-N	418.541	4.972	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1nc(C2CC2)n(-c2ccccc2Cl)n1	728717055	QFVMBFXSKVNGQO-UHFFFAOYSA-N	421.810	4.574	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)c1ccc(Br)s1	730437078	WSXBXXJKCBHUEL-XFFZJAGNSA-N	407.245	4.607	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cnc3ccccc3c2)c1C	730698871	LHOQOSBQBQWCOU-FIJRTHIRSA-N	403.482	4.511	50	20	HJGD	
Cc1ccc([C@H](NC(=O)NNC(=O)OC(C)(C)C)c2ccc(F)cc2Cl)cc1	731119132	NPIHAMZABMWEAV-KRWDZBQOSA-N	407.873	4.616	50	20	HJGD	
Cn1cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c2ccccc21	731478255	IKCOZHLJPLYGRC-UHFFFAOYSA-N	412.209	4.717	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)c1ccccc1	732235803	KGLNZJZXVCYEKL-WCQYABFASA-N	412.292	4.718	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNc3ccccc3S(C)(=O)=O)sc2c1	732679126	QJVUPJNEAXNLRP-UHFFFAOYSA-N	422.959	4.839	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ncc(-c3ccc(Br)cc3)[nH]2)c1	732713956	OQULXBCEKYGXHC-GDNBJRDFSA-N	407.271	4.693	50	20	HJGD	
CC[C@@H]1CCC[C@H](OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1	734724446	YQJARCHJPVBLOU-XQODRSGLSA-N	402.498	4.883	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)o1	735657300	VJMPVGQWRFEWDW-PONJGIIJSA-N	412.921	4.815	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)c1	738555993	OLSGOHXEQKGXKQ-CQSZACIVSA-N	409.477	4.519	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(OC2CCCC2)cc1	741977347	MASWYHYCLHIAKF-UHFFFAOYSA-N	411.246	4.806	50	20	HJGD	
Cc1c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cccc1[N+](=O)[O-]	742006329	JCXWKFXNQIHZMD-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2c(F)cccc2F)c(-c2ccc(F)cc2F)n1	743455025	GXRRZMOFIXGGSU-UHFFFAOYSA-N	406.383	4.618	50	20	HJGD	
CC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1nc2ccccc2n1C	744761308	DVYHQJOTRFDZOI-UHFFFAOYSA-N	423.929	4.691	50	20	HJGD	
CC(C)Sc1ccc([C@@H](C)NC(=O)NNC(=O)c2ccc(Cl)cc2F)cc1	747500986	PJEZKNIQDXBEIM-GFCCVEGCSA-N	409.914	4.685	50	20	HJGD	
CCOc1ccc(-c2noc(CCC(=O)NNc3ccc(Cl)cc3Cl)n2)cc1	748018376	UUUSRXUNAXZOAA-UHFFFAOYSA-N	421.284	4.518	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	748585028	ZARPQZXRLQRCLO-KPKJPENVSA-N	406.225	4.846	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(C2CC2)nc2ccc(F)cc12	748703460	KAWGJNARHSWZND-UHFFFAOYSA-N	419.378	4.949	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	750043980	PZYIVJGUMWUCQB-WSDLNYQXSA-N	405.433	4.553	50	20	HJGD	
CC(=NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc([S@](C)=O)cc1	750937228	HANGZFATFNPPSE-VWLOTQADSA-N	418.733	4.930	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1C	750959219	ZREUSNFJOWWNRZ-SMLKNPDNSA-N	418.497	4.877	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c2ccc(F)c(F)c2)c1C	750979951	VLDIARSCGDWXFO-BFERYNQYSA-N	415.484	4.549	50	20	HJGD	
Cc1nc(-c2cc3c(s2)CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C3)cs1	752737121	SCFAXRJNQPICBG-OVCLIPMQSA-N	409.511	4.811	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(F)c1	754680877	TZGFALNBFYSBBB-SDQBBNPISA-N	410.779	4.943	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc4c(c3)ncn4C)n2)c1	761199053	AWMYDUSKVJCHFC-MFOYZWKCSA-N	413.506	4.859	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3nc4ccccc4[nH]3)c3ccccc3n2)cc1	768515807	VFTRKGNLRYEAAZ-UHFFFAOYSA-N	409.449	4.544	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cccc(NC(=O)c2ccc(F)cc2)c1	770197214	RDEOZXSOQYXZCZ-UHFFFAOYSA-N	401.800	4.627	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1ccccc1SCc1cccs1	771532138	JNYCNGAYMDREDK-UHFFFAOYSA-N	420.357	4.955	50	20	HJGD	
N#C/C(=C/c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc(F)c(Cl)c1	773143253	CQGFXBBNUVSHEH-WZUFQYTHSA-N	409.598	4.940	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ncc(Cl)cc2Cl)c1C	777041860	QBGSPMQSIBMMPO-LLYLVAKQSA-N	422.312	4.665	50	20	HJGD	
O=S(=O)(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(S(F)(F)(F)(F)F)c1	777995918	ASOASUNNGRALBX-MCIONIFRSA-N	407.426	4.580	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1ccccc1-c1ncc(-c2ccccc2F)o1	778448812	OKSUYSVASZJDSK-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	780604832	OYMAGFKWRQSWRE-UHFFFAOYSA-N	424.404	4.744	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c(C2CCCCC2)n1	783687502	DCECGVXSHFFDOG-GZTJUZNOSA-N	418.526	4.532	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2csc(-c3ccc(C)cc3)n2)cc1	787155515	RPZBUEOFBRMABY-BKAYVGFPSA-N	403.507	4.912	50	20	HJGD	
COc1cc(NNC(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)ccc1Cl	788658737	XAXLFTXVYOFDDZ-UHFFFAOYSA-N	406.273	4.645	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@@H](C)Cc2cncc3ccccc23)cc1	805152313	RKQDHSOZGAVLJX-KRWDZBQOSA-N	420.582	4.774	50	20	HJGD	
O=C(Nc1cccc(CNCc2ccc(OCCCCl)cc2)c1)c1ccccn1	811474416	ILNVCENKRIUVPT-UHFFFAOYSA-N	409.917	4.631	50	20	HJGD	
COc1ccccc1-c1noc([C@@H](C)NCc2ccc(OCCCCl)cc2)n1	811495527	MTYJVFFLTYGCAD-OAHLLOKOSA-N	401.894	4.604	50	20	HJGD	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(OCCCCl)cc2)cc1	811689132	YJKIXMPHQYESQY-LFYBBSHMSA-N	410.901	4.903	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2ccc(C3SCCCS3)cc2)cc1C	812723252	AVIPQKPWKSZJKR-UHFFFAOYSA-N	416.568	4.797	50	20	HJGD	
CC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1cc(N)ccc1F	814760446	OSEMCPZSBCTVGO-UHFFFAOYSA-N	402.882	4.526	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2cccnc2)c(C)n1-c1cccc(Cl)c1	843349061	FRKWALXVZADDLU-MBTVCVBTSA-N	404.901	4.927	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CSc1ncnc2sc(C)c(C)c12	899893095	LZBAHHFPBBLCGV-UHFFFAOYSA-N	403.485	4.531	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cn3ccsc3n2)c(C)n1C1CCCCC1	914610159	QQVRRAQJSUGKOY-WQRHYEAKSA-N	407.543	4.543	50	20	HJGD	
Cc1cn2c(/C=C(\C#N)C(=O)c3cc(C)n(CC(F)(F)F)c3C)c(C)nc2s1	915989735	LVYBCHJPUAGPTA-MKMNVTDBSA-N	406.433	4.783	50	20	HJGD	
CCc1ccc(C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1	916294130	YLQGFZPDRMVCGP-UHFFFAOYSA-N	404.539	4.712	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC[C@H]1c1nc2ccccc2s1	917851191	JJVSNXIOIHCYCK-KRWDZBQOSA-N	406.960	4.603	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNC(=O)c1ccc2ccccc2c1	918112233	YHMSWKYKGANLOP-UHFFFAOYSA-N	403.507	4.624	50	20	HJGD	
CCOc1ccccc1Oc1ccc(CNC(=O)NNc2ccccc2Cl)cn1	918226905	DUHRPGFBTSSKDB-UHFFFAOYSA-N	412.877	4.752	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1csc(COc2ccc(Cl)cc2)n1	918713107	KSMRMODCDBGPHR-BMJBDIJISA-N	415.946	4.977	50	20	HJGD	
CCCn1cc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)ccc1=O	919845428	VGYOXRYFZDWWFE-XSFVSMFZSA-N	406.530	4.728	50	20	HJGD	
CCC(CCc1ccc(Br)cc1)=NNC(=O)c1c(C)nc2ccccn12	921139060	GLCQNGKCDGTMGQ-UHFFFAOYSA-N	413.319	4.534	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1F	1318564352	BBMBLPLAPOUTBD-UHFFFAOYSA-N	400.812	4.668	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3sc(C)nc3C)cc2)CCC1	1787336746	GYCWGFJCFNJTSG-INIZCTEOSA-N	405.951	4.525	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccn3)CCC2)cc1	1790486586	GWFCTFRLWBVLET-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1	1792040123	OIXYUOLTAKHKQJ-FQEVSTJZSA-N	423.384	4.937	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1	1825856624	HZEFUVFWDQEDTL-HUUCEWRRSA-N	417.402	4.652	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1	1830356216	QHBDJIIJAIRWMY-LBNTZDJNSA-N	409.014	4.760	50	20	HJGD	
Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	7633976	FDDRYMROFNVEAS-XLKWYTADSA-N	421.541	4.855	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2csc(-c3cccs3)n2)cc1	112530199	BAACRPOXLQUNBS-UVTDQMKNSA-N	409.492	4.594	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1	726939559	IVPWEXAJLLMUNJ-NBVRZTHBSA-N	400.438	4.522	50	20	HJGD	
Cc1ccc(-c2cnc(CCC(=O)NNC(=S)Nc3ccccc3C(C)C)o2)cc1	727174396	VNFOWWQSSIBODP-UHFFFAOYSA-N	422.554	4.724	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c2c(c1)C[C@H](C)O2	728439598	BIVKFNDYLUAKPM-SRYMZENNSA-N	418.415	4.789	50	20	HJGD	
C[C@@H](Oc1ccccc1Cl)C(=O)NNc1ccc(Br)cc1Cl	729277131	ZAFJAXHMSZDSJM-SECBINFHSA-N	404.091	4.667	50	20	HJGD	
N#C/C(=C/c1ccc(-c2c(F)cccc2F)o1)C(=O)N1CCn2c1nc1ccccc12	734484392	WRTHASUPSRFBCY-OWBHPGMISA-N	416.387	4.528	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c2cccc(Cl)c2)c1C	737597575	VAGSVJNOJZIVHP-YLRSXTQRSA-N	413.949	4.924	50	20	HJGD	
CC[C@H](c1ccncc1)N(CC)C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	739661902	UDKUBRJOXBNNMS-RAPHOLRVSA-N	420.557	4.586	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc(OC(F)F)cc1	741770859	HICAYZQVJXDHJC-UHFFFAOYSA-N	406.389	4.706	50	20	HJGD	
Cc1c(Br)cccc1C(=O)NNC(=S)Nc1ccccc1C(C)C	743328352	MNLYMCLSSOHGRU-UHFFFAOYSA-N	406.349	4.512	50	20	HJGD	
Cc1c(Br)cccc1C(=O)NNc1ccc(Br)cc1Cl	743335627	WLWWUAJRRKEIGR-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
Cc1cccc2c(CCC(=O)NNc3ccc(Br)cc3Cl)c[nH]c12	743336136	CSRDCBKHBNUSQB-UHFFFAOYSA-N	406.711	4.968	50	20	HJGD	
CC(C)Oc1cccc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1	743539950	MMPCQESHXVSBDY-UHFFFAOYSA-N	418.497	4.677	50	20	HJGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@H](C)C2)c1sc(-c2cccnc2)nc1C	747611104	QXFLWEGUEMYNNR-LBPRGKRZSA-N	410.568	4.854	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)Cc3ccncc3)s2)cc1Cl	747642712	XTKIPTSBHSAOKW-UHFFFAOYSA-N	420.325	4.590	50	20	HJGD	
CN(C(=O)c1cccs1)c1ccccc1C(=O)NNc1ccc(C(F)(F)F)cc1	748500914	YIDBRQYRWULULT-UHFFFAOYSA-N	419.428	4.800	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NNc2ccc(OCC(F)(F)F)cc2)c1C	748702436	VABPNRULEXAZIA-BOPFTXTBSA-N	420.435	4.506	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1c(-n2cccc2)sc2c1CCSC2	748797181	PQQKCHCTZNBLGH-UHFFFAOYSA-N	409.458	4.502	50	20	HJGD	
Cc1[nH]c2ccc(Cl)cc2c1C=NNC(=O)c1ccc(F)cc1Br	752726752	JRBPVWQKVHGDKL-UHFFFAOYSA-N	408.658	4.795	50	20	HJGD	
O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	752993669	AKNLQOJVWVGQPW-ZWKOTPCHSA-N	414.637	4.750	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn(C2CCCCC2)c1C	753175373	ARXQADTVDFICMX-UHFFFAOYSA-N	405.340	4.779	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)cnn1-c1ccccc1	754149657	JZIRJSIDEYQSEG-UHFFFAOYSA-N	406.383	4.911	50	20	HJGD	
O=C(NNc1nc(O)c2ccccc2n1)c1ccc(Oc2cccc(Cl)c2)cc1	758307233	DYRPQHVTIJPKPD-UHFFFAOYSA-N	406.829	4.538	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1cc(Cl)ccc1Oc1cccc(Cl)c1	759250862	ABCZUPZYEREOIL-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
Cc1ccc(CCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762658022	LELAEACPWJVFEB-UHFFFAOYSA-N	408.392	4.950	50	20	HJGD	
C[C@@H](CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1nccs1	762680112	BMTKGWGDFHDBBU-VIFPVBQESA-N	415.409	4.659	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)c(C)n1CCC(C)C	767149652	SGOZJVKCZJYHDY-XDHOZWIPSA-N	424.520	4.538	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	771291945	NQZRMGKQBBGZSM-URLYPYJESA-N	401.326	4.670	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	772822104	ABOXORDLHJLLQV-UHFFFAOYSA-N	422.341	4.716	50	20	HJGD	
O=S(=O)(NCCCOC1CCCC1)c1cccc(S(F)(F)(F)(F)F)c1	777920856	VILDTIXOSZSNCT-UHFFFAOYSA-N	409.442	4.972	50	20	HJGD	
Cc1ccccc1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783463317	PDKNVAYPUAMCIY-UHFFFAOYSA-N	401.378	4.771	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	784886386	HBPAEVJEGIPYJA-UHFFFAOYSA-N	413.359	4.601	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	785347542	YKIDOOTUGOETNN-CSRGTXSUSA-N	412.445	4.956	50	20	HJGD	
COc1cc(NNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2C)ccc1Cl	789804693	LILDMUUICNUPCF-UHFFFAOYSA-N	421.950	4.629	50	20	HJGD	
Cc1c(F)ccc(Cl)c1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	791041261	HFOSEQKTKCEPBC-BHEJFATLSA-N	415.896	4.931	50	20	HJGD	
COc1ccc2c(c1)C1(CC1)CN(CCP(=O)(c1ccccc1)c1ccccc1)C2	810100164	YUMIRIZFHDXDOI-UHFFFAOYSA-N	417.489	4.557	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1c(-c2cccs2)nc2ccccn12	810182942	MKTMYZJLFAXHKN-UHFFFAOYSA-N	418.404	4.625	50	20	HJGD	
C[C@H](CC(=O)NNc1ncccc1C(F)(F)F)c1ccc(F)c(Br)c1	812516736	VVKYQXRGOCFDGQ-SECBINFHSA-N	420.204	4.639	50	20	HJGD	
Cc1csc(-c2ccc(NC(=O)C(=O)NNc3c(C)cccc3C(C)C)cc2)n1	813048960	RICRNEXXPDVTMV-UHFFFAOYSA-N	408.527	4.632	50	20	HJGD	
CCCOc1ccc(C(=O)NN=C2CC[C@@H](c3ccccc3)C[C@H]2OC)cc1OC	814755722	TYHRBINEPLUPMO-XMSQKQJNSA-N	410.514	4.553	50	20	HJGD	
C[C@]12CCN(C(=O)C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)C[C@H]1C2(F)F	815659203	WLWSJTBWIJWRFK-RISCZKNCSA-N	420.350	4.786	50	20	HJGD	
CCOC1(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCC1	815835230	NSAQBIABDUNCFG-UHFFFAOYSA-N	416.412	4.748	50	20	HJGD	
O=C(NN=Cc1ccccc1F)c1ccc(CSc2nc3ccccc3[nH]2)cc1	916287823	SXWFRERNVGFWEQ-UHFFFAOYSA-N	404.470	4.758	50	20	HJGD	
COc1ccc2cc(C=NNC(=O)c3ccc(COc4ccccc4)o3)ccc2c1	916359868	DUORWROLGLPIPD-UHFFFAOYSA-N	400.434	4.784	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(F)cc1Br)c1ccc(OC(F)F)cc1	916481284	HYNKXXCLCZEMAT-VIFPVBQESA-N	418.213	4.577	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1	918649324	OIEHJQLSMQKZRC-FXBPSFAMSA-N	417.509	4.647	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cscn2)c(C)n1-c1ccc(Cl)cc1	920280385	CQEWPMVSMPYQJL-RQZCQDPDSA-N	410.930	4.770	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)c1ccccc1Cl	1328385193	ZCXKVHRRAQXAJH-UHFFFAOYSA-N	407.688	4.905	50	20	HJGD	
O=C(CC1c2ccccc2Oc2ccccc21)NNC(=S)Nc1cccc(Cl)c1	1332333671	UWVSRVSGIOCECR-UHFFFAOYSA-N	423.925	4.986	50	20	HJGD	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCBr)cc2)CCC1	1787670217	YNOPCLANYWGVOY-UHFFFAOYSA-N	419.363	4.674	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cc(Cl)ccc1F	1788579709	BQTQJULVPNFFIY-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)no3)CCC2)cc1	1790487522	ZNYJMALZJVYYSZ-INIZCTEOSA-N	403.910	4.563	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)[nH]n1	1820850707	ALBOGGJXKONTOF-DOTOQJQBSA-N	423.344	4.695	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1	1824609198	JLSGBLNHSKVCPD-HBMCJLEFSA-N	422.972	4.724	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2cc3ccccc3o2)c(C)n1CC(C)C	5187430	BJCPILZQFYFZFY-KEBDBYFISA-N	404.466	4.840	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=S)Nc3cc(Cl)cc(Cl)c3)cc2C1	15151623	XHUXOBVNKXJWIR-SECBINFHSA-N	414.383	4.811	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNC(=S)Nc2ccc(C)c(F)c2)cc1	18921629	RKQITRHSXZULLL-UHFFFAOYSA-N	403.523	4.725	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCCSc3ccccc32)c1C	24698658	SSGXJGBXZGDXMT-UOBPLZBXSA-N	409.555	4.748	50	20	HJGD	
O=C(NNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1	29488949	OUUFIXONVCBHSH-UHFFFAOYSA-N	417.852	4.737	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccccc1C(=O)NCc1cccnc1	61504457	GEBSSAYOVLZCFD-KRWDZBQOSA-N	415.584	4.664	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2c(F)cccc2Cl)c1C	215320815	VOKYZMFGLDPNPP-DUPVFGOHSA-N	404.869	4.755	50	20	HJGD	
COc1ccc2ccccc2c1C=NNC(=O)CSc1nc2ccccc2s1	254523948	UVFZRUPXOSRZIP-UHFFFAOYSA-N	407.520	4.701	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cc2cc(F)ccc2[nH]1	731478632	GXPNFSQKIMDVPC-UHFFFAOYSA-N	416.172	4.845	50	20	HJGD	
O=C(NN=Cc1ccc(OC(F)F)c(Cl)c1)c1ccc(F)cc1Br	731486708	TZKBERRNZHCPJF-UHFFFAOYSA-N	421.600	4.607	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	732112411	XWNDDDXHFLRQAX-JKSUJKDBSA-N	417.494	4.539	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc([S@](C)=O)c2)c(C)n1C1CCCCC1	732123292	VTRASGRGRHYZGA-SSQLKXLMSA-N	409.555	4.893	50	20	HJGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1	732995778	SMZFMCBPWZDLES-GOSISDBHSA-N	421.328	4.548	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)OCC/C=C\c2ccc(Br)cc2)cc(C#N)n1C	735340756	AVDDVGVAWNBCSK-QKFHAWQQSA-N	424.298	4.521	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1	738511360	YYHYQSKKNQROSF-HNNXBMFYSA-N	414.427	4.742	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c1C	739781912	UCGAATJZEVYKBE-WBRURWICSA-N	402.498	4.954	50	20	HJGD	
CC(C)CCn1cc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)nn1	740648617	UYZLSTRLEDCBFE-HNNXBMFYSA-N	406.861	4.796	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(N3CCOC3=O)ccc2C)c1C	744382292	OYEFBKACGMFGEG-DEDYPNTBSA-N	420.513	4.716	50	20	HJGD	
Cc1ccc(C(=O)NNC(=S)Nc2ccccc2C(C)C)cc1Br	746881786	AIAXOXXOALBSFN-UHFFFAOYSA-N	406.349	4.512	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	746887915	ZFBHCSWAJYAQAZ-UHFFFAOYSA-N	414.303	4.622	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC)c(OCCCC#N)c2)c1C	747445232	DRVAZAHYLQOJFC-XSFVSMFZSA-N	403.482	4.772	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1	748661489	SECPHGBHXGEBFK-UHFFFAOYSA-N	416.811	4.929	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1	748669754	LHLTWEYXJNWDBF-UHFFFAOYSA-N	416.568	4.819	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1	751071224	AVPWPKJHNJSMFI-UHFFFAOYSA-N	416.518	4.762	50	20	HJGD	
O=C(C[C@@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1)c1cccs1	758723579	FIWGIGHRKLLJRY-FQEVSTJZSA-N	423.518	4.799	50	20	HJGD	
Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762456923	MFIHICUYQKDTDZ-UHFFFAOYSA-N	407.338	4.744	50	20	HJGD	
FC(F)(F)[C@@H](Cl)Sc1ccccc1NCc1cnc(N2CCOCC2)s1	770513446	FRZAUKKDMVHOFR-AWEZNQCLSA-N	423.913	4.811	50	20	HJGD	
Cc1ccc([C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1	770698732	JEPULWNVRIAEIO-UQRWVXEISA-N	410.477	4.984	50	20	HJGD	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NNc1ccc(Br)c(F)c1	771119408	YRYYSHKFZZUEIC-UHFFFAOYSA-N	423.286	4.640	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1	772916506	KPBAUHNFSNCCBS-UHFFFAOYSA-N	410.477	4.966	50	20	HJGD	
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCS1	773348329	ISJYHSFZDSHPSW-ZDUSSCGKSA-N	418.453	4.883	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C(F)(F)F)cc1Cl	775537295	MQZBWLLHPAIHRO-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12	777482618	NCIFZCUQJKTUDP-UHFFFAOYSA-N	401.470	4.837	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	780153341	NGRRTNOIMOYRQO-FRKPEAEDSA-N	404.832	4.995	50	20	HJGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNc2ccc(Br)cc2C(F)(F)F)C1(C)C	780639040	FPYQUHYNMGWGTN-GXSJLCMTSA-N	421.257	4.552	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2	781366270	BFGQXBZMNLZXBT-SQFISAMPSA-N	414.440	4.996	50	20	HJGD	
O=C(NN=Cc1cnc(-c2ccco2)s1)c1ccc(Br)cc1Cl	782229561	FNVWRROOHVMAKM-UHFFFAOYSA-N	410.680	4.583	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)nc(Cl)c2)c1C	787939535	RXXQKBRYYGMFHB-BYQGBLLGSA-N	407.301	4.560	50	20	HJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)Nc1c(Cl)cccc1Cl	794869430	KOXCNFZARZDLDD-BENRWUELSA-N	401.228	4.864	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1c(C)nc2sc(C)cn12	797024146	WYEQELGPOZUSLV-MLPAPPSSSA-N	400.891	4.529	50	20	HJGD	
CCCNC(=O)/C(C#N)=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	797319027	HEYMMAMVCQBFKA-ZROIWOOFSA-N	402.281	4.679	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cnn(-c2ccc(Br)cc2)c1C	799754021	AOYJQMNOXSVEEH-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
Cc1c(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cnn1C1CCCCC1	802038738	OTNDJUHUCXBSQT-UHFFFAOYSA-N	417.513	4.830	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(F)cc1Cl	804209470	AVIQVQWMCOAXBU-UHFFFAOYSA-N	410.758	4.712	50	20	HJGD	
CC(C)(O)c1ccc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	807946728	RBNYWWBOXNTLES-UHFFFAOYSA-N	424.504	4.531	50	20	HJGD	
C=C(CBr)COC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1	811361879	BPFOIQLGMKMRKB-UHFFFAOYSA-N	416.287	4.860	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ncc(C(C)(C)O)s2)c(C)n1C1CCCCC1	811619873	LAICSUWZDFXIQU-GZTJUZNOSA-N	412.559	4.840	50	20	HJGD	
C[C@@](CC(=O)NNc1c(Cl)cc(Cl)cc1Cl)(C(=O)O)c1ccccc1	814323202	LQSXAQCJPMAXGL-KRWDZBQOSA-N	401.677	4.523	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1C	818138406	FVLQZBGBQQHQSO-AGBQMQEQSA-N	415.484	4.717	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)cc2)c(C)n1C[C@H]1CCCO1	915737972	UQXGBVWYYFYPFE-PGGUJSHWSA-N	407.514	4.617	50	20	HJGD	
CCCOCc1ccccc1CNC(=O)NNc1nc(Cl)c(Cl)cc1Cl	918215663	KEEMVPMXRVQGLJ-UHFFFAOYSA-N	417.724	4.795	50	20	HJGD	
CC(C)CC[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918238948	FIXSMIMEDFGWAS-ZBEGNZNMSA-N	410.889	4.785	50	20	HJGD	
CN(CC1CCCCC1)C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918411977	XRAZOQMGHHUXGJ-KRWDZBQOSA-N	422.900	4.883	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cc(Br)c4c(c3)OCCO4)c[nH]c2c1	920068096	IIDLCTCPJQGBTK-VGOFMYFVSA-N	423.266	4.800	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cc3ccccc3s2)c(C)n1C[C@H]1CCCO1	920473731	VNXOCRKAICGOLJ-TUJQNWBVSA-N	419.550	4.722	50	20	HJGD	
COCc1c(C(=O)NNc2ccc(Br)cc2)sc2cccc(F)c12	932523201	OJWQHLPSCDQXCY-UHFFFAOYSA-N	409.280	4.706	50	20	HJGD	
C[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)NCC(F)(F)F	1116773671	UBXOLSBXUYLMGK-ZETCQYMHSA-N	415.306	4.533	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nnc(-c3ccncc3)s2)c(C)n1CCC(C)C	1253162989	OYWAQGAVVSCNBR-UNOMPAQXSA-N	420.542	4.610	50	20	HJGD	
C[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)Oc1ccccc1	1788588919	PLERBADDWFZOFU-FOIQADDNSA-N	418.896	4.513	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1sccc1Cl	1789900402	OMCISYFSJAFQTQ-AWEZNQCLSA-N	401.290	4.684	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCC1	1790216214	OSKWTTQXLACKEG-UHFFFAOYSA-N	402.897	4.838	50	20	HJGD	
CC1=CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)CC1	1824013320	DRHOSOMWPMMOJZ-WOJBJXKFSA-N	409.014	4.618	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1	1824613562	QSCMKBCEHDUGHO-HOTGVXAUSA-N	415.361	4.574	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C)CC1	1829940671	RKTBSENPDQRJDP-LEWJYISDSA-N	404.982	4.636	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1	1830307912	LODKXAVONGZHAD-IFTVWREOSA-N	420.981	4.628	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1	1832556093	OPTXKKNAWCNJSV-FCHUYYIVSA-N	416.993	4.815	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC(F)F)c2)cc1Cl	211595060	GQKPMDGOLVWDCB-GHXNOFRVSA-N	408.788	4.504	50	20	HJGD	
N#C/C(=C/c1ccccc1OC(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl	211664566	ZKSAVSQUPYGIEP-GHXNOFRVSA-N	404.221	4.933	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1C[C@H]1CCCO1	220063542	GLRRPCRUCNQWMX-PLMLNFJUSA-N	417.431	4.848	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)CC(C)C)cc(Br)c1OC(F)F	726117773	DJOSBQCOITYNBN-SDQBBNPISA-N	402.235	4.971	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)c1C	726511459	YURRLIXLUWEJFE-OFRDJGNJSA-N	405.542	4.849	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(N4CCOCC4)c(F)c3)n2)cc1	727267268	RRGFGRHGMSGGBS-LDADJPATSA-N	421.497	4.859	50	20	HJGD	
O=C(O)C/C(=C\c1cnn(CCCl)c1)c1nc2cc(C(F)(F)F)ccc2s1	730436150	GKFMTPPGSSGVSZ-VZUCSPMQSA-N	415.824	4.766	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)(F)C(=O)O)cc1)c1nc2ccccc2n1C(F)F	730729668	LXUYHUBPJCWHRC-FMIVXFBMSA-N	405.307	4.552	50	20	HJGD	
O=S(=O)(Nc1ccc(Oc2ccc(F)cc2)cn1)c1ccc(CCCl)cc1	731781466	ZAPQEKKKZNFOLJ-UHFFFAOYSA-N	406.866	4.595	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc(SC(F)(F)F)cc1	732977182	DRDSWTUOZHUBOO-UHFFFAOYSA-N	414.796	4.759	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(-c2ccccc2)n(-c2ccccc2)n1	734554517	BUTRVMAXNVTKNC-UHFFFAOYSA-N	408.383	4.714	50	20	HJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1F	739423672	BKPGOSLLUPPFKW-BOPFTXTBSA-N	421.501	4.736	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c1C	741609224	OLXDMNQMZZNURX-XSFVSMFZSA-N	415.497	4.951	50	20	HJGD	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NNc1ccc(F)cc1	742517033	WXROIMLAIWVTQI-UHFFFAOYSA-N	409.845	4.592	50	20	HJGD	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NNc3cc(F)c(F)c(F)c3)c12	746701705	XBFNBBMVEURTFW-UHFFFAOYSA-N	416.359	4.780	50	20	HJGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746897299	UGOLAJJYULXXIE-UHFFFAOYSA-N	416.428	4.690	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCCc3nc(-c4ccccc4)sc32)o1	747049274	KDCBWDOQKPMGFP-UHFFFAOYSA-N	422.554	4.715	50	20	HJGD	
COc1ccc(C(=O)Nc2ccc(C(=O)NNc3cccc4c3CCCC4)s2)cc1	748577933	SZSZCDOVRFIIMH-UHFFFAOYSA-N	421.522	4.645	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H](NC(C)=O)c1cccs1	748669227	FITNPAXSDJJQGP-KRWDZBQOSA-N	401.557	4.652	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c(Br)s1	748705054	WUFNURKUFKCDAY-UHFFFAOYSA-N	409.227	4.517	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	748811001	MDKCDDAWYHFECU-CHWSQXEVSA-N	403.429	4.907	50	20	HJGD	
Cc1cc(NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)ccc1Oc1cccnc1	756212021	AYYPFAZXBMZVAJ-UHFFFAOYSA-N	420.513	4.551	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)c1	759315615	XBQGKHXOFVJBLR-UHFFFAOYSA-N	402.372	4.545	50	20	HJGD	
C/C(=C/C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccccc1OC(F)F	761600513	XXXBEHCAEQBWMS-KHPPLWFESA-N	402.319	4.733	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2csc(-c3ccco3)n2)c(C)n1CC(C)C	763982222	MNJRQEICVDRSRJ-GIJQJNRQSA-N	408.527	4.701	50	20	HJGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)S(=O)(=O)c1cc(Cl)ccc1Cl	766777832	GPMVFQVRVUGFLO-LFIBNONCSA-N	404.278	4.517	50	20	HJGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1nc(-c2ccncc2)cs1	767351422	ARMMPQZRVNLXHD-QGOAFFKASA-N	404.495	4.930	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccc(N2CCCc3ccccc32)cc1	771045799	PNWBIIAETBDUKO-UHFFFAOYSA-N	401.495	4.533	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)cc1OC	771513416	KMYYZDRDMKQURB-XNTDXEJSSA-N	413.857	4.698	50	20	HJGD	
CSc1cc(/C(C#N)=C/c2csc(COc3ccc(Cl)cc3)n2)ncn1	773177135	UAHTUBYNLOYUAL-WUXMJOGZSA-N	400.916	4.952	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2cnc3ccccc3n2)c(-c2ccccc2Cl)n1	774795774	GAUSUROGQDROOI-UHFFFAOYSA-N	420.904	4.659	50	20	HJGD	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	776622927	NYUCEZBIDUJLPV-QGOAFFKASA-N	412.449	4.890	50	20	HJGD	
O=S(=O)(NC[C@@H]1CC1(Cl)Cl)c1cccc(S(F)(F)(F)(F)F)c1	777872957	MORDECBCTGMVFA-ZETCQYMHSA-N	406.225	4.816	50	20	HJGD	
CC[C@@H]1C(=O)N(CC)CCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	779451305	CWBBDSMULXIHKZ-CYBMUJFWSA-N	401.401	4.819	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(F)cc1OCCC(F)(F)F	800592165	MPVJMJYUKGVEIG-UHFFFAOYSA-N	414.384	4.915	50	20	HJGD	
CC(C)(C(=O)NN=Cc1c(Cl)nc(Cl)n1-c1ccccc1)c1ccccc1	814841372	AFHRSNGQESOROW-UHFFFAOYSA-N	401.297	4.607	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c(C)n1CC(C)C	818122662	WJQPEUDXTBSLRT-WSDLNYQXSA-N	420.557	4.579	50	20	HJGD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)c12	825014755	YPAXPAHFBCDAQR-UHFFFAOYSA-N	424.719	4.871	50	20	HJGD	
CCc1cc2oc(=O)cc(COC(=O)/C(C#N)=C/c3cccc(OC)c3)c2cc1Cl	849205063	MZVLTSSAJOVGJU-FRKPEAEDSA-N	423.852	4.668	50	20	HJGD	
CCCCN(CC)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	874858899	TXVIOUBLLPNERP-JXAWBTAJSA-N	409.921	4.673	50	20	HJGD	
CCCCCC/C(C=NNC(=O)c1cccc(S(C)(=O)=O)c1)=C/c1ccccc1	915051294	CJWXPSXQLALGCA-WTKDVFNOSA-N	412.555	4.860	50	20	HJGD	
O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)NN(Cc1ccccc1)c1ccccc1	920048724	ORZVCBKCZUQLCU-NRFANRHFSA-N	418.516	4.573	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc2c(s1)-c1ccccc1OC2	932506978	DBVBQHCVJKDBLN-UHFFFAOYSA-N	401.285	4.827	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(Cn3c(C)nc4ccccc43)o2)c(C)n1CC(C)C	1261428355	JKIDFDBZMRBYFC-RGVLZGJSSA-N	414.513	4.915	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(C)n(-c3ccccc3OC)c2C)n1	1324230218	BRYJARPKNLDXBB-BOPFTXTBSA-N	407.495	4.800	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1	1786076929	XKAXHPGVKRQMNP-FOIQADDNSA-N	409.357	4.713	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3nccc4[nH]ccc34)cc2)CCC1	1788463250	OEIZSYRZKAHOTO-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	1824618859	MTYMERCZKOTZDJ-YYDGMXKLSA-N	423.041	4.840	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-c2ccccc2)cc1	1847867944	ZNNBRLCLSFGTPV-FKBYEOEOSA-N	410.945	4.577	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)NC(c3ccccc3)c3ccccc3)cc2C1	10259795	QDQQIKMSIQSKSM-INIZCTEOSA-N	419.550	4.607	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	59116947	JHWDJPBNVWYRQN-GHXNOFRVSA-N	421.678	4.665	50	20	HJGD	
COc1cc(OC)cc(Oc2ccc(/C=C(/C#N)c3nnc4n3CCCCC4)cc2)c1	65222289	XGZNPUFLTKJMDP-PDGQHHTCSA-N	416.481	4.878	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c([N+](=O)[O-])cc1OC	141615922	JUDWRDGYJXMHNL-FRKPEAEDSA-N	418.434	4.671	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1	727717452	SYSDAGIATCMFLG-UHFFFAOYSA-N	418.459	4.688	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCOC[C@@H]2c2ccco2)c(C)n1C1CCCCC1	735026133	YIYVOJJMRADXBB-VOSMRYOYSA-N	407.514	4.710	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)c1C	737629277	SGUPAQSAOASJIZ-URBQWANRSA-N	421.545	4.826	50	20	HJGD	
C/C(=C/C(=O)NNc1c(F)cc(F)cc1Br)c1ccccc1Cl	741979936	AFTDQOGXHKNZIT-TWGQIWQCSA-N	401.638	4.927	50	20	HJGD	
CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1ccc(CCCl)cc1	742312035	GOGKQZJVNBIBRR-UHFFFAOYSA-N	414.958	4.741	50	20	HJGD	
COCCN(CC(F)(F)F)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	745090322	IVXDCXICCAGHII-LDADJPATSA-N	411.468	4.554	50	20	HJGD	
Cc1cc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)ccc1Br	746369167	NSJLWPMDWRIIHR-UHFFFAOYSA-N	414.328	4.574	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNc3cccc(F)c3)cc12	748088836	RHRYQTGOZHCGGP-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
O=C(CCCCOc1ccc(Br)cc1)NNc1cccc2cnccc12	748769818	QYFXQMUURWMUIE-UHFFFAOYSA-N	414.303	4.690	50	20	HJGD	
CC(=O)N1CCC(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752975925	FVLRUEVBRSREHS-UHFFFAOYSA-N	401.401	4.724	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)c1ccc(CCCl)cc1	753956430	FMFZHJYIKIKAMF-UHFFFAOYSA-N	424.950	4.924	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cn(-c3ccc(F)cc3Cl)nn2)c(C)c1	755571415	ATPMXDZWQDFWTA-OVCLIPMQSA-N	409.852	4.531	50	20	HJGD	
Cc1cc(NC(=O)NNC(=O)c2ccc3ccccc3c2)ccc1Oc1cccnc1	756213095	KRWRPXZIVMUFGL-UHFFFAOYSA-N	412.449	4.802	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c(Br)c1O	761015299	KXRGYMAJTFIHPZ-UKTHLTGXSA-N	411.255	4.743	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@@H]1CCOC2(CCC2)C1	762665908	COLLMUHYVOYSKY-GFCCVEGCSA-N	414.396	4.500	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=C(C)CC(C)(C)c3ccccc3)n[nH]2)cc1OC	764805609	GOXHWOOZCVRHJN-UHFFFAOYSA-N	420.513	4.568	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2ncnc3ccsc23)c(C)n1C1CCCCC1	766679328	UUHWUSUXXISMIA-BOPFTXTBSA-N	420.542	4.665	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	772804565	COELCWHXCDOKJE-WLRTZDKTSA-N	408.351	4.756	50	20	HJGD	
CSc1cc(/C(C#N)=C\c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)ncn1	773177675	WZGAMHBYAJURSH-UUASQNMZSA-N	401.417	4.526	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)cc1OC1CCCC1	775484304	AVTJTPJVUJXVHC-UHFFFAOYSA-N	410.396	4.579	50	20	HJGD	
CC[C@H](c1ccccc1)c1nnc(NC(=O)NNc2ccc(C(F)(F)F)cn2)s1	775610220	MEZRGSILVPRJOO-CYBMUJFWSA-N	422.436	4.642	50	20	HJGD	
C[C@@H](C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CCCC1	783461470	RAXSJHXQRUCBFS-SNVBAGLBSA-N	407.426	4.975	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC([C@H]3CCCO3)CC2)c(C)n1C1CCCCC1	784644010	SYRGHWJWGGCLHY-FVIVVMBBSA-N	409.574	4.935	50	20	HJGD	
Cc1nn(C)c(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1Br	790601886	AKAZFWBEPSBJGO-AUWJEWJLSA-N	410.300	4.550	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1csc(COc2ccc(F)cc2)n1	791726246	ADXHXERIEMDKBU-UHFFFAOYSA-N	412.273	4.925	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3cccc4cccnc34)cc2)c1	803157516	PKNOLZWZQKBIGI-UHFFFAOYSA-N	412.518	4.842	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NNc1ncccc1F	806427458	IEPIXPQQGGFYAI-UHFFFAOYSA-N	413.840	4.583	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(C(F)(F)F)cc1N1CCCC1	807036601	AVTKPKJARPVTDL-UHFFFAOYSA-N	424.370	4.538	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1	816802486	NLMIDGZSYAKFIR-UHFFFAOYSA-N	407.276	4.846	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1	849210152	DYALNRNNTRZCIH-RIYZIHGNSA-N	422.790	4.756	50	20	HJGD	
CCCN(CCC)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	913008905	XAUYYXGDRNADSE-NBVRZTHBSA-N	409.921	4.673	50	20	HJGD	
CC(C)Cc1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2)c2cccs2)cc1	916195969	ZSTVLOKRRZFPPH-OAQYLSRUSA-N	407.539	4.680	50	20	HJGD	
O=C(NN=C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1OCc1ccc(F)cc1	916294348	AEGBSJQVAWNGNA-CXUKHSQVSA-N	419.412	4.742	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3cccnc3)cs2)c1C	929265675	YWCANOHKXZYYIR-YBFXNURJSA-N	405.527	4.969	50	20	HJGD	
C/C(=C\c1cccs1)C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788580076	LDSFZRUSSQKTAW-UJGDBWEASA-N	406.910	4.820	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]1C1CC1	1847490713	VBVCOLGNHYPFMK-MLNNCEHLSA-N	423.041	4.984	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1C	10412545	NSDGCDKGWWZXTB-VEJKBTLKSA-N	401.894	4.520	50	20	HJGD	
CC(=O)Nc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)ccc1F	27078570	NRIVBJOBFOYWGR-YBFXNURJSA-N	410.493	4.794	50	20	HJGD	
Cc1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	212295404	YQPZYYSEBDQVGX-ALFKQNEGSA-N	421.541	4.937	50	20	HJGD	
CC(C)[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc(-c2ccncc2)no1	727855044	YDAFYRLTENSXCT-WBVHZDCISA-N	406.577	4.659	50	20	HJGD	
O=C(NN=Cc1cnn(-c2ccc(F)cc2)c1)c1ccc(-c2ccc(F)cc2)s1	728174024	DYVADSOTHATNAN-UHFFFAOYSA-N	408.433	4.643	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	732112408	XWNDDDXHFLRQAX-CVEARBPZSA-N	417.494	4.539	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)c2cc(Cl)cc(Cl)c2)c1C	733227363	HTFGSOQBJZMZCU-LZYBPNLTSA-N	406.313	4.628	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c3cccnc3)c2C)cc1	733376912	IEVMOGSDWWOQFZ-KOMLCTQHSA-N	401.466	4.709	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccc(Oc2cccc(Cl)c2Cl)nn1	743456135	VJRYGANXMZQYBZ-UHFFFAOYSA-N	411.195	4.611	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(-c2ccccc2Cl)[nH]n1	748732607	WFZYWJIBECLSOP-UHFFFAOYSA-N	405.683	4.558	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)c2ccccc2n1	751103554	RNCZMZHEDBULPP-NRFANRHFSA-N	404.514	4.583	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	752407540	QLPBDCABKWDGHD-SKPQCYFASA-N	418.493	4.820	50	20	HJGD	
COC(=O)c1cc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cs1	762458205	YEOZWPDVNKMDLB-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
Cc1ccc(C(=O)OC[C@H](C)CBr)cc1NC(=O)c1ccccc1F	770339251	HIDSAHJNUNZQLT-GFCCVEGCSA-N	408.267	4.574	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C	772226707	SCGXNWDBAOPSAG-MHECFPHRSA-N	421.972	4.958	50	20	HJGD	
CCOCCOCc1cccc(NC(=O)NNc2cccc(C(F)(F)F)c2)c1C	775655354	SOHFKOPKXXNZEU-UHFFFAOYSA-N	411.424	4.716	50	20	HJGD	
CC[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777963887	LVQCGSBVDVKDFQ-ZIAGYGMSSA-N	409.442	4.658	50	20	HJGD	
COC[C@@H](C)n1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	778243236	DOPPDFWJGJGOTF-UOBPLZBXSA-N	409.534	4.560	50	20	HJGD	
Cc1nc(COc2ccccc2C(=O)NNc2ccccc2OC(F)(F)F)cs1	779201495	QFJBMVKWSZANIM-UHFFFAOYSA-N	423.416	4.686	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3ccc(O)cc23)c1C	782739653	BWWVIHPTZWKSGS-MBTVCVBTSA-N	403.482	4.717	50	20	HJGD	
C[C@]1(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO[C@H]1C1CC1	784485847	LNFXSWIHLBRJJZ-KBPBESRZSA-N	407.426	4.580	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nn(C)c2Cl)cc1	787184898	YGCAXWQWWMRLDV-QLENYVDCSA-N	420.900	4.533	50	20	HJGD	
COc1cc(NNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)ccc1Cl	790171658	JRRMERDBBPVPOY-UHFFFAOYSA-N	419.312	4.621	50	20	HJGD	
CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792873188	RSEKFMQWAFHJKS-ZLNRFVROSA-N	418.698	4.892	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCCc3ccc(F)cc32)c1C	794058192	AUGCMSWBBKFKCU-GEDHTZNJSA-N	409.505	4.552	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NN=c1cc[nH]c2ccccc12	798109755	OWMLBZCRGHIMDR-UHFFFAOYSA-N	413.264	4.684	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1	799755129	IMOFUNDPPKUSHM-UHFFFAOYSA-N	418.522	4.996	50	20	HJGD	
CCCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	810117654	FPXSEVKJDYNAQR-GFCCVEGCSA-N	410.474	4.743	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)cc1	915856930	FKCWYUZAPBKWFE-ATVHPVEESA-N	408.408	4.636	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNC(=O)C(C)(C)C	915967407	OIBLROVCDBHDTM-UHFFFAOYSA-N	401.725	4.696	50	20	HJGD	
CC[C@H](C)C(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OC)c1	915977235	QPDPMSINXVUQTD-AWEZNQCLSA-N	419.319	4.533	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3cnn(C(C)(C)C)c3)n2)cc1	915986129	WPAVLLSQJJQFLN-VCHYOVAHSA-N	405.527	4.870	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCOC)c2C)cc1Cl	917782644	SLQSCXLLSCYCEH-PDGQHHTCSA-N	415.921	4.739	50	20	HJGD	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)c1ccccc1Cl	1115835351	XHGIMKFRINZMHR-UHFFFAOYSA-N	424.671	4.685	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(COc3cc(C)cc(C)c3)o2)c1C	1323869406	ZJAJGQVQUVGIHZ-UTYYKHSJSA-N	420.513	4.955	50	20	HJGD	
CC(=O)N1CC[C@H](CNC(=O)CCCCCCCCCCCl)[C@H]1c1cccnc1	1808110048	VERHQFBZSUDRRL-FYYLOGMGSA-N	422.013	4.857	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)[nH]n1	1815317878	LBUCYIXWVODOIY-FJHQEINZSA-N	414.937	4.523	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1	1820852221	AJGUZJFNLHKISJ-ICSRJNTNSA-N	424.932	4.886	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3nccs3)cc2)c1C	10448339	AFPSNAMDXWUUGD-DDLUMYACSA-N	420.538	4.982	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)CC(C)C)cc2OC)cc1	726120622	WUOGNMGQUQDEOI-NDENLUEZSA-N	407.466	4.583	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC(C)(C)CCc2ccccc2)c(C)n1C[C@@H]1CCCO1	727344068	WQHMRTXEFPKKTD-DFOZZHOTSA-N	419.569	4.719	50	20	HJGD	
C[C@H](CN(C)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	727400422	XVLGHVCEXFBPKR-AOMYKUFJSA-N	423.520	4.633	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc2[nH]c3c(c2c1)CCCCC3	727804737	QAMHQBKEBVXDBZ-UHFFFAOYSA-N	416.308	4.818	50	20	HJGD	
O=C(NNC(=O)N(Cc1ccccc1)CC1CCC1)c1c(Cl)cccc1Cl	727846280	NREZKVBAMOKNPH-UHFFFAOYSA-N	406.313	4.650	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccccc3Cl)s2)cc1OC	727870015	RGJMCEILDPOMRN-UHFFFAOYSA-N	403.891	4.546	50	20	HJGD	
CC1(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CCCC1	731174076	VBWVBCBACUYWDY-QGOAFFKASA-N	421.932	4.721	50	20	HJGD	
CC(C)(C)n1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(-c2ccccc2Cl)n1	731211217	SMOSGSYOHRNXKN-RVDMUPIBSA-N	408.889	4.775	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCCc1nc(-c2ccc(Cl)cc2)no1	731645515	RPUZOLLGMAOPMH-OAHLLOKOSA-N	411.980	4.763	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCc3cc(F)ccc3[C@H]2C)c1C	737699552	WOBGIOXKZACDEF-QUQLQNTJSA-N	409.505	4.504	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc(-c4ccccc4)cc3)n[nH]2)cc1	743806446	JHDVOOMIQAJWTP-UHFFFAOYSA-N	411.465	4.519	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)N1C2CCCC1CCC2	743957703	PMUBSYWIZRDZTH-VCMHEYGDSA-N	420.884	4.778	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ccc(F)cc1Br	748076644	KXKBYZXQHWHIPN-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CCc2ccncc2)c(C)n1-c1cccc(Cl)c1	748727589	HCCKRGWNMLKUSO-KGENOOAVSA-N	418.928	4.751	50	20	HJGD	
Cc1ccccc1C(NC(=O)NNC(=O)c1ccc2ccccc2n1)c1ccccc1C	761025022	NBKQXSIIOBALPN-UHFFFAOYSA-N	424.504	4.585	50	20	HJGD	
O=S(=O)(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc2nc(O)[nH]c2c1	762456520	IYITYGFENLDYDU-UHFFFAOYSA-N	415.365	4.727	50	20	HJGD	
Cc1nc(C)c(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)s1	762669167	ZPZRZPSGTVOJLJ-UHFFFAOYSA-N	415.409	4.672	50	20	HJGD	
Cc1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1I	763612078	CCKMQMXILZPIML-UHFFFAOYSA-N	421.065	4.663	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	765145717	FBULNNIZSLDBFO-MRXNPFEDSA-N	400.866	4.557	50	20	HJGD	
Cc1[nH]ccc(=NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1Cl	766046845	DPYNHCWHYACTKL-UHFFFAOYSA-N	408.801	4.924	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1nnc(SCc2ccccc2)s1	769926043	LJTBTZUOYDBXIC-UHFFFAOYSA-N	414.541	4.589	50	20	HJGD	
Cc1cc(NNC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)ccc1Br	771018993	ZDACCEVMQBRJIV-UHFFFAOYSA-N	424.298	4.511	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1	771113429	WCPVGQJJHKQUGP-UHFFFAOYSA-N	403.351	4.700	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1	771707176	OZBYJDVWIMHHRH-UHFFFAOYSA-N	407.232	4.780	50	20	HJGD	
Cc1ccncc1[C@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773463312	VPHZBIYKEJGUIW-NSHDSACASA-N	409.380	4.863	50	20	HJGD	
CC(CCn1cccn1)=NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1	776758776	QVNQGTXFJTZBRB-UHFFFAOYSA-N	410.905	4.620	50	20	HJGD	
Cc1cnc2c(c1)N(S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)CCO2	777677114	GMPFQSIHUWIBDT-UHFFFAOYSA-N	416.393	4.635	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(COc4ccc(F)cc4)o3)c(C)cc2c1	778478977	MKHLXPIGZWZIGQ-UHFFFAOYSA-N	421.428	4.620	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cccc(Br)c2Cl)cc1C(F)(F)F	780604678	NCSASKWHHVTYLT-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	783342942	PKZNYNFRHCMMQP-UHFFFAOYSA-N	417.306	4.704	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)ccc1OC1CCCC1	787001353	NJWFYDPJCRHUNA-YZYPPFLQSA-N	406.482	4.507	50	20	HJGD	
C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNc1cc(Cl)cc(Cl)c1	791730570	AWKFKWVYJHUNJS-MRVPVSSYSA-N	421.111	4.562	50	20	HJGD	
COC[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1cccc(Cl)c1	808799390	QWPRWRCOQZYNAV-QHCPKHFHSA-N	413.885	4.631	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1nc2ccccc2n1C(F)F	812441274	XEHQFFRDAXPWQH-UHFFFAOYSA-N	424.407	4.757	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H](c1c(Cl)cccc1Cl)C1CC1	812499163	HHESTNRJUZSRDC-GOSISDBHSA-N	418.280	4.835	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NNC(=S)Nc2ccc3ccccc3c2)cc1	915995729	POUYULYPRJCHJE-UHFFFAOYSA-N	414.534	4.879	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NN=Cc2c(F)c(F)c(F)c(F)c2F)cc1	916285523	PUTMOJGIDSNDEO-UHFFFAOYSA-N	400.347	4.571	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cccc(OCc3cccc(C#N)c3)c2)n1	920386812	FNKMEYJHQKKZMU-VXLYETTFSA-N	415.474	4.835	50	20	HJGD	
CCC(CCc1ccc(Br)cc1)=NNC(=O)c1cccc(N(C)C)c1	921140417	PPCZAOFBJPPDOO-UHFFFAOYSA-N	402.336	4.644	50	20	HJGD	
Cc1cnn(CC2CC2)c1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	1115934903	RZRQHNWVLOUUBW-JAIQZWGSSA-N	417.488	4.694	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)c2nnc(CC34CC5CC(CC(C5)C3)C4)o2)c1C	1322151043	FEXJLNDRHJUTJK-LSHDLFTRSA-N	420.557	4.957	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1OCc1ccccc1	1337196022	AVOQUDRBIYLYHH-MRXNPFEDSA-N	423.900	4.624	50	20	HJGD	
Cc1c(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cccc1C(N)=O	1337367054	CHYZZIGCCDAFDR-CPNJWEJPSA-N	404.514	4.563	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OC)c3)CCC2)cc1	1786446274	CBNWKMFPCCKEFL-FQEVSTJZSA-N	414.933	4.850	50	20	HJGD	
COc1cc(C)c(C)cc1C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788589015	SDURFJMXCLFLBY-IBGZPJMESA-N	418.896	4.594	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)/C(C)=C/c3cccs3)CC2)C1	1806154496	GDZBVQUJILMBAT-LQATUXICSA-N	423.022	4.790	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C)[nH]n1	1815324795	XUKCRHVTAAGKRB-AEFFLSMTSA-N	420.916	4.571	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(C3CC3)nc3ccc(C)cc23)c1	6967061	TZMYTTQOQCWIGQ-UHFFFAOYSA-N	404.539	4.669	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12	57547356	BKOVMTVEAWIRFT-SFQUDFHCSA-N	402.450	4.760	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OC(=O)c1cccs1	207815488	KGYOUYYTONXYDZ-PTNGSMBKSA-N	422.437	4.661	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)n1CC(C)C	210340243	HOZFHZXGGNVYRS-HMAPJEAMSA-N	418.541	4.543	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cc(F)ccc2Br)cc(C)c1OC(F)F	728436325	PQTZKRQAEPMCFI-UHFFFAOYSA-N	415.209	4.570	50	20	HJGD	
O=C(NC[C@@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1)Nc1ccccc1	728694394	VOBBPYWWXGKLMA-RBUKOAKNSA-N	421.632	4.903	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)cc1	730223245	ZXALRPYGZBMVLJ-JIHKLPAASA-N	404.466	4.933	50	20	HJGD	
Cc1cc(C)cc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1	730501492	DIROEMHRAVGLNJ-LTPVOXARSA-N	405.542	4.685	50	20	HJGD	
CCc1cc(NNC(=O)Nc2cc(Cl)ccc2Cl)nc(-c2ccccn2)n1	730578152	NSQCKZJYWXMYJM-UHFFFAOYSA-N	403.273	4.556	50	20	HJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNc3nc(-c4ccccc4)no3)cs2)cc1	732112650	GBMMIYWFPYRRCG-UHFFFAOYSA-N	419.510	4.669	50	20	HJGD	
CC(C)n1cc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cn1	732710851	UWGLQUIEUIIZCD-UHFFFAOYSA-N	401.445	4.582	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nn(C)c2Cl)cc1	734753299	RDGKSFDQFFYSQM-DTQAZKPQSA-N	406.873	4.685	50	20	HJGD	
Cc1nc([C@H]2CCCCN2C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)no1	737616050	RHCKBAKITYTSHY-FBHQFGEZSA-N	421.545	4.962	50	20	HJGD	
Cc1oc(-c2ccccc2F)nc1C(=O)Oc1ccc([N+](=O)[O-])cc1Br	739315332	YXQFTNSEQHMZEE-UHFFFAOYSA-N	421.178	4.679	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2ncccc2C(F)(F)F)n1	740098134	VCEQCGNUGDDNBL-UHFFFAOYSA-N	424.473	4.915	50	20	HJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3cccc(Br)c3)cs2)cc1	741768082	TVJHOZLHLUEXCB-UHFFFAOYSA-N	400.301	4.645	50	20	HJGD	
CC(C)(C(=O)NNc1c(F)cc(F)cc1Br)c1ccccc1Cl	741980487	WPWDCOUZPYDJIK-UHFFFAOYSA-N	403.654	4.802	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c(C)c1	743820052	MARTZIBDZZMNEZ-HZPDHXFCSA-N	408.354	4.732	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1	745186294	DHUYONMSOUZKFX-GFCCVEGCSA-N	413.440	4.664	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1	746703875	KQFMTHZFNSKFBC-UHFFFAOYSA-N	400.360	4.505	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(-c2ccccc2)nn1)c1cccc(C(F)(F)F)c1	754470170	NZIWFXJOWLLBPT-AWEZNQCLSA-N	400.404	4.799	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(Br)cc2Cl)c(Br)c1	755181468	SYTKSQCBRCHQPH-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	757610576	CWQXTQKXWSQPNA-UHFFFAOYSA-N	419.913	4.637	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2CCC(F)(F)F)cc1C(F)(F)F	759661763	ZDCLBLWVTFSYEJ-UHFFFAOYSA-N	401.310	4.829	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1	760034616	PAAMFEFOLDXSQZ-DLBZAZTESA-N	417.543	4.902	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1cccc(CSc2cc(Cl)ccc2Cl)c1	760911861	IGZUQAAUWWUIEV-UHFFFAOYSA-N	423.300	4.972	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C\c3cc(F)ccc3Br)nc(O)c2c1C	761199151	CQLQWUBZYAEXOT-WZUFQYTHSA-N	404.264	4.980	50	20	HJGD	
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCS1	762666072	OOIVBQNUZDPZLT-ZDUSSCGKSA-N	418.453	4.883	50	20	HJGD	
CN(Cc1ccccc1NC(=O)NNc1ccc(F)c(F)c1F)C(=O)OC(C)(C)C	770035603	QSSOUGAROHOXCB-UHFFFAOYSA-N	424.423	4.619	50	20	HJGD	
Cc1cccc([C@@H]2CCN(C(=O)/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)C2)c1	784520526	UKIZPUPDBRJSEU-XPWQOCOZSA-N	417.553	4.515	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](CC)c2ccccc2)ccc1OC(F)F	787145726	SBXMCBQTMNLYSV-WQJNHMDYSA-N	400.425	4.861	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN[C@]2(CO)CCOc3ccccc32)cc1	792880543	GCKLNOIXYGQELI-DEOSSOPVSA-N	413.634	4.968	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)C1(c2cc(F)cc(Br)c2)CC1	803117875	ZRYFRSZTBAAUMU-UHFFFAOYSA-N	401.638	4.556	50	20	HJGD	
O=C(Cc1ccc(F)cc1Cl)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804210488	NFPHIAZAKMEKJS-UHFFFAOYSA-N	424.785	4.641	50	20	HJGD	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	810204754	XHCVHZSJSICKEB-AWNIVKPZSA-N	413.264	4.938	50	20	HJGD	
CNc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(Cl)n1	817014076	QNBBWAJFWQYXRU-UHFFFAOYSA-N	412.721	4.571	50	20	HJGD	
CCC[C@H](C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	852997503	FRVNDTWRYLNURJ-ARMOGDTMSA-N	413.562	4.754	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nnc(C(C)(C)C)o2)c(C)n1C1CCCCC1	914893514	SYYYSEGWJDTECO-LDADJPATSA-N	410.518	4.941	50	20	HJGD	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(/C#N)C(=O)Nc2ccccc2)cs1	915844366	ZJHPVWQKZZACDB-PDGQHHTCSA-N	416.506	4.990	50	20	HJGD	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(N)=C(C#N)C#N)cc1	916138083	LDIZKFUVCONKDU-PDGQHHTCSA-N	422.517	4.818	50	20	HJGD	
CCCCCCCCc1nnc(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)s1	918681983	UZWKJJFKYNYZBX-BOPFTXTBSA-N	410.547	4.505	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1	919745730	GNPPYVFFMGHDCZ-INIZCTEOSA-N	405.458	4.537	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(NC(=O)c2cccs2)cc1	920207023	VDOSPSMWIDGJRF-UHFFFAOYSA-N	422.897	4.959	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1C	933477907	XZPYDYXCHHIJRM-XSFVSMFZSA-N	413.443	4.609	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2ncccc2C(F)(F)F)c1	1323100469	JUOMHRIBCHOZCC-UHFFFAOYSA-N	408.811	4.918	50	20	HJGD	
CCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)CBr)cc2)CCC1	1786070001	HURAMCZWYDCGTF-CQSZACIVSA-N	409.368	4.588	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3cccc(F)c3)cc2)CCC1	1787754490	UGAGCSSPWRVTLE-IBGZPJMESA-N	402.897	4.520	50	20	HJGD	
Cc1cc(Cl)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)c1	1788587380	CODJAZWZNBQKKM-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](CC)CC2)n[nH]1	1822224113	IOCYFGTUBPXFMU-OVWQWFNUSA-N	408.974	4.636	50	20	HJGD	
Cc1ccc(OCC(=O)NNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1C	17203801	VECATTYZIXFRDL-UHFFFAOYSA-N	423.321	4.665	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cccc(C)c2C)c1C	21969819	ZTIQQRUZKDMTJY-FYJGNVAPSA-N	407.514	4.611	50	20	HJGD	
O=C(NCc1ccccc1-c1ccc(Cl)cc1)NNC(=O)c1cccc(Cl)c1	726799216	KTXMGRUMSZOYKZ-UHFFFAOYSA-N	414.292	4.805	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)c3nc4ccccc4s3)s2)cc1	730557707	OLKVEIAGBFGKAA-UHFFFAOYSA-N	422.535	4.770	50	20	HJGD	
Cc1ncsc1CN(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	731173179	MOUFIVDKCKHJEU-ZDLGFXPLSA-N	408.502	4.564	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1)c1ccccc1	732447566	GGSXABVRCVQMEB-CVDCTZTESA-N	415.537	4.731	50	20	HJGD	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)N(CC(F)(F)F)C1CC1	732715058	IUSIPFGPJJXTOB-UKTHLTGXSA-N	421.400	4.784	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c(OC(F)F)c1	734096711	QTDDURQZFYWJMD-GHXNOFRVSA-N	407.442	4.596	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c1C	734257224	KPKWZCXPWDAKSN-RTWAWAEBSA-N	409.493	4.555	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](C)c2cccc(Cl)c2Cl)c2ccccc2n1	735584825	SDTOLTJLOWZBFR-LBPRGKRZSA-N	417.296	4.555	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)C(C)C)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl	741285263	YPFVRFYZBNGZCQ-ZDUSSCGKSA-N	408.329	4.892	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CCc2ccccn2)c(C)n1-c1ccc(Cl)cc1	742389055	DRVHAYLKHXARQR-HMMYKYKNSA-N	418.928	4.751	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c1	748395857	RABGNMSFNMYQHK-UHFFFAOYSA-N	402.429	4.916	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)Cc1csc(-c2cccc(F)c2)n1	748732142	SEDYAJHGEMBVSM-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
CCC1(C)C/C(=C\c2cnn(CCCl)c2)C(=O)/C(=C/c2cnn(CCCl)c2)C1	751518218	RVFOVYIHNVOYQX-GCBPPVMSSA-N	421.372	4.803	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(NC(=O)c2cccs2)cc1	754153767	NEGFRDQZWHHSFC-UHFFFAOYSA-N	423.391	4.915	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(Br)cc(C(F)(F)F)c1	756013842	OILYSAJZKFTOOJ-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1C1CC1	757816943	BOMQPQJBTICNKF-SNVBAGLBSA-N	410.305	4.505	50	20	HJGD	
Cc1nnc([C@H](C)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)s1	759100418	AXQXTMOJSJDUSD-ZETCQYMHSA-N	409.427	4.543	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2noc(-c3ccccc3C)n2)c1C	761047171	HZOTUDIRMNPUHR-UNOMPAQXSA-N	404.470	4.524	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCCO2	762674436	WCNTTYSTHGHWNB-UHFFFAOYSA-N	424.347	4.692	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)c2c[nH]c3ncccc23)c1C	767543782	UBNRUXSGBGQGSB-LSPINASFSA-N	418.497	4.503	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2nc3ccccc3[nH]2)cc1OCC	768500369	PEDRHYCLJUEHCT-UHFFFAOYSA-N	402.882	4.551	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)Nc1cccc(COCCc2ccccc2)c1	770277947	GAXSBDYPESBIDF-UHFFFAOYSA-N	405.502	4.508	50	20	HJGD	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NNc1c(C)cccc1F	770815560	OZLDVYWNNWWFRB-QGZVFWFLSA-N	421.472	4.664	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl	771707691	RREDQEMMTJRNEL-UHFFFAOYSA-N	407.276	4.751	50	20	HJGD	
O=C(NN=Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cc1Br	772839311	BMUIMOUEVXNFCP-UHFFFAOYSA-N	407.136	4.510	50	20	HJGD	
CCCc1noc2nc(C3CC3)cc(C(=O)NNc3nc4ccccc4cc3C)c12	777478009	MOQUYBFZCYSMLQ-UHFFFAOYSA-N	401.470	4.666	50	20	HJGD	
COc1cccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1O	777965195	PXXLCLHFUXSWQP-UHFFFAOYSA-N	419.393	4.537	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cccc(Br)c1Cl	779202148	VCAIRWFOJIQDHF-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
CN(C(=O)Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1)c1ccccc1	785362085	LRSZAWGXINLGLT-HMMYKYKNSA-N	413.452	4.577	50	20	HJGD	
COc1cc(NNC(=O)C(=O)Nc2ccc(C(C)C)cc2C(C)C)ccc1Cl	789798304	MIUWUYSSDOMSTG-UHFFFAOYSA-N	403.910	4.677	50	20	HJGD	
Cc1cn2c(/C=C(\C#N)C(=O)Nc3ccc(SC(F)F)cc3)c(C)nc2s1	797008345	WNRQUGXTWKVTKT-KPKJPENVSA-N	404.467	4.873	50	20	HJGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802093224	APGLVAZTRVRISS-UHFFFAOYSA-N	423.231	4.562	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)cc1OC	805381618	KJYQHRJXKXGMRR-UHFFFAOYSA-N	407.854	4.501	50	20	HJGD	
O=C(NNc1ncccc1F)Nc1ccc(Oc2cccc(F)c2)c2ccncc12	806256483	OVIIUBYURWCWEN-UHFFFAOYSA-N	407.380	4.849	50	20	HJGD	
CC(C)(C(=O)NNc1cccc(F)c1F)c1csc(-c2c(F)cccc2F)n1	815856994	KSVDBAFCTJLSNQ-UHFFFAOYSA-N	409.408	4.787	50	20	HJGD	
CCCOc1ccc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)cc1OC	916349757	VJYKOHZBGXFYKF-UHFFFAOYSA-N	409.511	4.680	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC2(c3ccc(F)cc3)CCC2)c1C	920352065	UBHQIMIUXHQARC-UOBPLZBXSA-N	409.505	4.554	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2c(C)nn(-c3ccc(Cl)cc3)c2C)n1	920388064	RTRPBUYGHARSQV-ZROIWOOFSA-N	412.902	4.840	50	20	HJGD	
O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)NNc1ccccc1C(F)(F)F	921244992	SJKZBFYBXZIBNG-CYBMUJFWSA-N	412.843	4.511	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1Cl	1116690383	DWEVBOIMHGJWIV-UHFFFAOYSA-N	413.811	4.678	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(C)cnn3CC3CC3)c2C)c1	1251448009	RMVKZAOZORWWOB-WSDLNYQXSA-N	413.525	4.863	50	20	HJGD	
O=C(NNC(=O)c1nc(-c2ccccc2)oc1C1CC1)c1ccc(Cl)cc1Cl	1318055675	CFPIZMGMLIIHBV-UHFFFAOYSA-N	416.264	4.601	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCc2coc(-c3ccccc3)n2)c1C	1318186157	JAVWANKTSUWILO-JCMHNJIXSA-N	416.525	4.826	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc([S@](C)=O)cc2)c(C)n1-c1ccccc1F	1318742593	XSXMDVCSRGXLJC-ICEQWLFWSA-N	421.497	4.516	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc[nH]c34)CCC2)cc1	1786012002	VPVOHRNGIPIZPT-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC1(C)CC(C(=O)NC2(c3ccc(NC(=O)[C@@](C)(Cl)CCl)cc3)CCC2)C1	1790493674	FRBJUXCJDFJOLE-FQEVSTJZSA-N	411.373	4.793	50	20	HJGD	
Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)c1F	1791605585	WVMRBANOXODKIQ-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820904862	HYUWSJPQZWWRFM-JXGFJBPRSA-N	420.985	4.946	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](CC)CC2)n[nH]1	1822224111	IOCYFGTUBPXFMU-KONPQCLYSA-N	408.974	4.636	50	20	HJGD	
Cc1cc(OC(=O)c2oc3ccccc3c2CSc2ncccn2)ccc1[N+](=O)[O-]	109706459	DEJLLHDXYNRFJL-UHFFFAOYSA-N	421.434	4.951	50	20	HJGD	
Cc1cc(C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1	726436085	SOIKGIYHLPJUCA-UHFFFAOYSA-N	422.554	4.513	50	20	HJGD	
CC[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1OC(F)F	726705267	FJUUFGKRWHBQPI-CQSZACIVSA-N	401.360	4.667	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccc(N2CCCC2)nn1	728221585	MBCGDKHFWVQYCC-MRXNPFEDSA-N	416.856	4.548	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2cccc(OC(C)C)c2)c(C)n1C[C@@H]1CCCO1	730930840	JGSCATAHXZBLQY-SNXNUMJZSA-N	408.498	4.584	50	20	HJGD	
Cc1nc2c(s1)C(=NNC(=O)c1sc(-c3ccc(Cl)cc3)cc1N)CCC2	730947435	QYCDDPHHGBNRCT-UHFFFAOYSA-N	416.959	4.886	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1nccc2ccccc12	731477320	DBRAZLMUKDAZFC-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1cc(Br)ccc1OC(F)F)c1ccccc1	731930978	VDXAZHOGUYISGB-OAHLLOKOSA-N	411.246	4.694	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1OC(F)F)c1ccc(F)cc1Br	732924777	IBWADOVLIANLDV-UHFFFAOYSA-N	421.600	4.607	50	20	HJGD	
O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NNc1ccc(F)cc1F	733361937	JUFRFTCCQSDHKZ-UHFFFAOYSA-N	402.828	4.883	50	20	HJGD	
C[C@H]1CCCC[C@@H]1N1CCC(=NNC(=O)c2ccc(COc3ccccc3)o2)CC1	733907662	SABADAVENFPXQH-AVRDEDQJSA-N	409.530	4.619	50	20	HJGD	
COC1CCC(N(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)CC1	734353054	YLQCPAKUYGHRQX-XMHGGMMESA-N	409.505	4.556	50	20	HJGD	
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	735477121	LLBMNDQEKGUERD-WMZOPIPTSA-N	422.616	4.647	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2nc3ccccc3n2C(C)C)c1C	735829853	NUILKVOPOATJBG-DEDYPNTBSA-N	403.530	4.669	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1sc2nc(C)nc(C)c2c1C	741770582	KOKHWVYNYFRPJW-UHFFFAOYSA-N	419.457	4.764	50	20	HJGD	
COc1cc(C(=O)NN=C(C)c2c(C)nn(C(C)C)c2C)ccc1OCCC(C)C	746486199	YIVYXBVPXRTEIA-UHFFFAOYSA-N	414.550	4.668	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(C)c2O)c1C	747933783	CSDQECFTLSNEIO-RHUPODBASA-N	401.894	4.525	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1nc(O)c2ccccc2n1	748669084	BOWHDRQFJQKUNK-UHFFFAOYSA-N	406.511	4.605	50	20	HJGD	
Cc1cnc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)s1	750087169	BEHOMBKSKISJPY-ZNBBLSJYSA-N	408.502	4.783	50	20	HJGD	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)c1c(Cl)cccc1Cl	756490495	VMCNOSHQYXIMMZ-NSHDSACASA-N	423.325	4.854	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1-n1cnnn1	762529263	TXJCBWDCUSZIDJ-UHFFFAOYSA-N	421.351	4.581	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@H]1CCO[C@@H](c2ccccc2)C1	765917771	ZLUSTEZYRQOGCV-SMDDNHRTSA-N	415.708	4.588	50	20	HJGD	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NNc2nccnc2C(C)C)cc1	772861218	SKWSLRGZGUOVEL-UHFFFAOYSA-N	423.542	4.794	50	20	HJGD	
C[S@@](=O)c1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777632709	QWQRTMQDFGGEAW-HSZRJFAPSA-N	421.434	4.882	50	20	HJGD	
CCc1nc(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cs1	777933428	MPPOAJYIOPVVEY-UHFFFAOYSA-N	422.466	4.884	50	20	HJGD	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NNc1ccc(Cl)cc1Cl	778391849	QTIKNVKTKKWEIA-QMMMGPOBSA-N	409.239	4.616	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1	781037145	ICFZSLUVQSYXII-UHFFFAOYSA-N	416.433	4.555	50	20	HJGD	
C[C@@H](NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1=CCN(C)CC1	781396592	PBXBWDYITAVJFH-IAQYHMDHSA-N	407.889	4.678	50	20	HJGD	
O=S(=O)(N[C@H](CCO)c1cccs1)c1ccc(S(F)(F)(F)(F)F)cc1	782981034	NIOFSCPJTMMHKM-GFCCVEGCSA-N	423.450	4.808	50	20	HJGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN=Cc1cn(C)nc1C1CCCCC1	783813264	KRDBYAKCDVGFBT-MRXNPFEDSA-N	416.953	4.656	50	20	HJGD	
Cc1c(NC(=O)C(=O)NNc2c(Cl)cc(F)cc2Cl)cccc1C(F)(F)F	784881684	UUVDPNXIQJPLLO-UHFFFAOYSA-N	424.181	4.542	50	20	HJGD	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)NNc1ccccc1F	793709905	XRFSRNUOJVGHJG-UHFFFAOYSA-N	404.239	4.563	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1C	797567568	JYWGLTXVTZLLMY-OIHTYZOASA-N	424.570	4.850	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	799718179	RBCJADGPZCYQJN-UHFFFAOYSA-N	404.253	4.532	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	805384265	IIPOHEYEQHOLRL-UHFFFAOYSA-N	413.437	4.513	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cc(-c2ccccc2)cnc1C	813047246	SASGHFOLRXFXBS-UHFFFAOYSA-N	402.498	4.571	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1	817904848	SWTHNRMVOKELDO-UHFFFAOYSA-N	414.461	4.924	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c(C)n1C1CCCCC1	818788386	IVXHDRQCFNHQJO-FCKOQQNDSA-N	421.585	4.935	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cn2)c1C	843078164	NDHLZQBNCKPGEW-YBEGLDIGSA-N	401.308	4.608	50	20	HJGD	
N#C/C(=C/c1ccc(OCCN2CCCC2)cc1)C(=O)Nc1cccc2ccccc12	914702508	IKICWIQORSPQJD-PYCFMQQDSA-N	411.505	4.860	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ncc(-c3ccccc3)s2)c1C	914872271	KJNBQUHDAYPQDU-YODDIOPGSA-N	420.538	4.982	50	20	HJGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2c(CC)cccc2CC)cc1OCC	915844051	HYLCFGBBPDRISK-QNGOZBTKSA-N	402.494	4.768	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1	918681493	IJNRDMFZNAPEFG-PGMHBOJBSA-N	417.509	4.503	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(CCc3ccccc3)o2)c(C)n1C[C@@H]1CCCO1	1345937227	LWSQJIJPQIMLTR-BHJKQYKASA-N	402.498	4.516	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c[nH]nc4c3)CCC2)cc1	1786443296	GMEVEPCTSQRWLD-IBGZPJMESA-N	424.932	4.718	50	20	HJGD	
COc1cc(C)c(C)cc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1790804968	VWYKJDOFYFGFNU-LJQANCHMSA-N	418.896	4.594	50	20	HJGD	
O=C(CCCC(F)(F)F)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791603354	DJVCEBGVTZKIJZ-UHFFFAOYSA-N	411.251	4.657	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)CC1	1814699230	IXDBPEMRVLLFEV-BQFCYCMXSA-N	423.001	4.883	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2ccc(C)cc2)n[nH]1	1822064152	BQXDORNAWZKNNR-IEZWGBDMSA-N	416.953	4.531	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2C)CC1	1831521366	CRIKQKKDRGZHMY-YADHBBJMSA-N	419.009	4.565	50	20	HJGD	
CCc1ccccc1NC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	208277111	HQEMLUOORGMUQD-HMAPJEAMSA-N	421.541	4.802	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2Cl)c1C	214223288	IGJAKJXEXSONLM-UWCCDQBKSA-N	413.905	4.646	50	20	HJGD	
O=C(CSCC(=O)c1ccccc1)NNc1c(Cl)cc(Cl)cc1Cl	303014292	KXAMXFRTPBEZHU-UHFFFAOYSA-N	403.718	4.706	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCCC[C@@H]2c2ccco2)c(C)n1C[C@@H]1CCCO1	303941235	YTSWVEBFXJYVIT-QVVAPAPGSA-N	421.541	4.928	50	20	HJGD	
CC(C)CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cccc(C(F)(F)F)c1	726417768	RWUHMKAAENETLX-UHFFFAOYSA-N	416.403	4.534	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@H]1CCCc2cc(OC(F)F)ccc21	726709821	TVXSZSXZQJFAOQ-INIZCTEOSA-N	413.371	4.593	50	20	HJGD	
N#C/C(=C/c1ccccc1-n1cncn1)C(=O)Nc1ccc(Oc2ccccc2)cc1	726741011	AJQFEFCPPYDODG-RGEXLXHISA-N	407.433	4.605	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccccc3F)no2)c1C	732830242	ZMPLOAFBWWTUJS-PACYTGELSA-N	422.460	4.652	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)N2CCn3c2nc2ccccc23)o1	734483152	IZSVMVQHTZWZES-DTQAZKPQSA-N	412.424	4.698	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)Oc1ccc([N+](=O)[O-])cc1Br	739311911	UKHRIJALKHIMFG-UHFFFAOYSA-N	400.225	4.584	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(Cl)cc2)c1C	740764504	XCXVKUITJHJIEX-LDADJPATSA-N	420.900	4.756	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cnc4ccc(Br)cn34)n2)cc1	740764758	DWJHFYTVMVUITI-ZSOIEALJSA-N	406.243	4.519	50	20	HJGD	
Cc1sc(-c2ccco2)nc1C(=O)NNc1c(F)cc(F)cc1Br	741979525	CSQCUMPTZHKIPD-UHFFFAOYSA-N	414.231	4.509	50	20	HJGD	
O=C(CC1CCCCC1)NC1CCC(C(=O)NNc2ccc(Cl)c(F)c2)CC1	746697327	SBJZSIBAOPSPMO-UHFFFAOYSA-N	409.933	4.568	50	20	HJGD	
O=C(CCOc1ccccc1)NN=Cc1cccc(NC(=O)c2ccccc2Cl)c1	747058997	DTIMCUBHIMQQFK-UHFFFAOYSA-N	421.884	4.512	50	20	HJGD	
Cc1noc(C)c1COc1ccc(CC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	747604468	BOEWVUMFGQPSFS-UHFFFAOYSA-N	419.403	4.575	50	20	HJGD	
O=C(NNc1ccccc1Br)c1ccc(N2CCc3ccccc3C2)cc1	748058820	NIIFYLFQRJAJCR-UHFFFAOYSA-N	422.326	4.769	50	20	HJGD	
Cc1sc2ncnc(SCCC(=O)NNc3ccc(Cl)c(F)c3)c2c1C	748874311	AYVREUCAUOGQSZ-UHFFFAOYSA-N	410.927	4.726	50	20	HJGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3	749886291	KGQCTNDAZLNWHZ-UVTDQMKNSA-N	400.463	4.995	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(C)noc3C3CC3)c2C)cc1	753482687	HJBUCVHZOODFRQ-XDHOZWIPSA-N	416.481	4.822	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2ncc(Cl)cc2Cl)c1-c1ccccc1	754312273	STBXMSCAHRNSDR-UHFFFAOYSA-N	404.301	4.764	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc(OC(F)(F)F)cc3)c2C(C)C)cc1	761588386	IWRVVMVIHQZLTQ-UHFFFAOYSA-N	418.419	4.960	50	20	HJGD	
CNS(=O)(=O)c1csc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762605359	MDPQANPOWNHOHH-UHFFFAOYSA-N	422.422	4.566	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@H]1CCc2ccccc2C1	762649182	QJKOZZVEOXMPOV-HNNXBMFYSA-N	420.403	4.956	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1ccc(-c2nccs2)cc1	771096564	LHHPUVUTKVAOQL-UHFFFAOYSA-N	407.268	4.860	50	20	HJGD	
Cc1cc(C(=O)NNc2ncccc2C(F)(F)F)ccc1NC(=O)OC(C)(C)C	772460033	YRNHPMMWUYEFOO-UHFFFAOYSA-N	410.396	4.513	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc(Cl)s2)c(C)n1C[C@H]1CCCO1	786308864	JKXGEIIKIVGBGR-VHEJECIDSA-N	404.919	4.649	50	20	HJGD	
C[C@@H](NC(=O)COC(=O)CCCC[C@@H]1CCSS1)c1ccccc1Cl	786595887	QLAGVMWLAKGTBY-ZIAGYGMSSA-N	401.981	4.775	50	20	HJGD	
O=C(CCCCc1ccc(Cl)c(Cl)c1)NNc1nnc(-c2ccccn2)s1	788568036	WNXQKKXQENGLLC-UHFFFAOYSA-N	422.341	4.763	50	20	HJGD	
CCCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	790165783	FNPBZGHYKKWUEK-PGLVWIQMSA-N	407.558	4.967	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCc3ccc(F)cc32)c(C)n1C[C@@H]1CCCO1	794058867	IUNCSCZJIUDASH-JTWGVKPOSA-N	421.516	4.524	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c(-c2ccnn2C)c1	801647545	LPKOIHSXDPDZFN-VBKFSLOCSA-N	410.399	4.960	50	20	HJGD	
N#Cc1ccc(NNC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F	801929861	WTRMBGLUUPIUEQ-CQSZACIVSA-N	405.273	4.750	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)[C@@H](F)c1ccc(C(F)(F)F)cc1	801951841	KSDVARQQWGLPOO-ZDUSSCGKSA-N	409.152	4.761	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)NNc3nccnc3C3CCC3)ccc2C)c1	806309381	DSTXNSCMKAHCRA-UHFFFAOYSA-N	404.474	4.697	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)cc1)c1ccccc1	807950513	VQPFPGRVIXXWTJ-QGZVFWFLSA-N	418.497	4.677	50	20	HJGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	915842990	FGMLTHZTOYKCFK-GRRFOWRYSA-N	416.817	4.526	50	20	HJGD	
O=C(COc1ccc(Cl)cc1)NN=Cc1c(OC(F)F)ccc2ccccc12	916302378	VIGVLGWMJRGYGG-UHFFFAOYSA-N	404.800	4.624	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1	916614021	SOGCLGGACRYZPX-ODSDEYRKSA-N	407.510	4.709	50	20	HJGD	
CCCN(CCC)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC)cc2)cc1	918622068	SJHPSBQDKVVVKK-FXBPSFAMSA-N	419.525	4.893	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(C(=O)NC4CC4)cc3)n2)cc1	920067237	CVJDNYWKHQHRIB-PDGQHHTCSA-N	401.491	4.775	50	20	HJGD	
COc1cc(OC)cc(Oc2ccc(/C=C(\C#N)c3nnc4n3CCCCC4)cc2)c1	920864505	XGZNPUFLTKJMDP-LDADJPATSA-N	416.481	4.878	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2cccc(C(=O)O)c2)c1)C(=O)c1ccc(F)cc1	1318584297	LPHLJAISPVTFHS-RGVLZGJSSA-N	401.393	4.893	50	20	HJGD	
O=C(NNC(=S)Nc1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12	7570332	KDNDTELYEJGTCN-UHFFFAOYSA-N	416.481	4.672	50	20	HJGD	
Cc1ccc(N2C(=O)CC[C@H](C(=O)NNc3ccc(F)cc3)[C@H]2c2cccs2)cc1	301239294	IUWGIWBOXCVQRG-UGKGYDQZSA-N	423.513	4.823	50	20	HJGD	
CCc1cc(NNC(=O)c2cc3c(s2)CCCCCC3)nc(-c2ccccn2)n1	303675030	ZOVHOVNCBJAZNF-UHFFFAOYSA-N	407.543	4.578	50	20	HJGD	
COc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1Br	725760639	YTXVPYUJBMTPPH-ZDUSSCGKSA-N	404.395	4.788	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(Cl)ccc2Cl)c1C	726388826	IXVRUKSGDUBBRJ-TUTDSIAXSA-N	422.312	4.665	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CCSc2ccccc2Cl)cc1	727497274	LYQRQXJPAIZYPS-UHFFFAOYSA-N	423.991	4.627	50	20	HJGD	
N#C/C(=C/c1cccc(OC(F)(F)F)c1)C(=O)Nc1nc(-c2ccncc2)cs1	727973768	ATCJJTPJBDHXMF-ZSOIEALJSA-N	416.384	4.649	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c(C)n1CCC(C)C	728498226	PTKPHJMCDLFMIO-FYJGNVAPSA-N	418.541	4.972	50	20	HJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNC(=O)c2cc(F)ccc2Br)cc1	737838561	QTZPGURACKIIQI-ZDUSSCGKSA-N	421.310	4.666	50	20	HJGD	
O=C(CCCc1c[nH]c2ccccc12)Oc1ccc([N+](=O)[O-])cc1Br	739314398	LURQNRSQFAKIGQ-UHFFFAOYSA-N	403.232	4.767	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccon2)c(C)n1-c1cccc2ccccc12	739803678	BDPNDMDNMXLMPJ-KGENOOAVSA-N	410.477	4.801	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1	744572183	XPWJEZPKPSFBJL-ZKMNFCBKSA-N	412.873	4.525	50	20	HJGD	
COc1ccc(C(=O)NN=C(C)c2ccc(-c3ccncc3)cc2)cc1Br	745205165	QXUMRXINXICRNI-UHFFFAOYSA-N	424.298	4.674	50	20	HJGD	
COc1sc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)cc1Br	746521081	CVQLZRICRYFENH-GHXNOFRVSA-N	402.273	4.942	50	20	HJGD	
Cc1c(NNC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)cccc1[N+](=O)[O-]	748692742	FYOBQGBSPURDND-LBPRGKRZSA-N	416.890	4.729	50	20	HJGD	
CC1(C)COCCN1CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752982635	WNEMVWIQADCXGT-UHFFFAOYSA-N	403.417	4.576	50	20	HJGD	
Cc1nc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)no1	753186875	QQSICQXHMAZPNI-UDWIEESQSA-N	412.449	4.589	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cnc(Cl)c2ccccc12	766761110	IYKBFJMEEOCQTR-UHFFFAOYSA-N	412.621	4.686	50	20	HJGD	
O=C(Cc1csc(Cc2ccccc2)n1)NNc1c(Cl)cc(F)cc1Cl	767406300	CULJQPHXXQLKBI-UHFFFAOYSA-N	410.301	4.866	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1ccc(Oc2ccccn2)cc1	771154080	QADRFAPJNWIOCK-UHFFFAOYSA-N	417.238	4.924	50	20	HJGD	
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NNc1ccnc(Br)c1	771559992	BKLAMKIZWTXSFM-DAFODLJHSA-N	420.616	4.673	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cccc(OCc2cccs2)c1	771682520	NCPBXCROFAUPGV-UHFFFAOYSA-N	421.291	4.986	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1cccc(NC(=O)c2cccs2)c1	775472839	HCKDRSWMJXFZMY-UHFFFAOYSA-N	422.297	4.851	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(Cl)cn2)c1C	781603834	XTHJNSIAUJSIAQ-YFFQGZOTSA-N	401.894	4.572	50	20	HJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3	783699375	CTTKEHACZWLBIL-XFFZJAGNSA-N	412.858	4.901	50	20	HJGD	
CCOc1ccc(Oc2cc(CNC(=O)/C(C#N)=C\c3ccc(F)cc3)ccn2)cc1	785364070	TZKWDRYIYUVUEK-UYRXBGFRSA-N	417.440	4.635	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1	785994579	NPBRCSDXSNADIQ-UHFFFAOYSA-N	422.897	4.699	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Cl)s2)cc1	790100302	OHWCMQOUTUOCKB-POHAHGRESA-N	424.707	4.668	50	20	HJGD	
CSSCCNC(=O)CSc1ncnc2scc(-c3ccccc3)c12	791156833	FYZCSOKOGUMCMW-UHFFFAOYSA-N	407.611	4.578	50	20	HJGD	
CC(C)Cc1ccccc1C(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	792333630	OTSHXEMGTKSLGZ-UHFFFAOYSA-N	415.419	4.513	50	20	HJGD	
O=C(/C=C/c1ccc(Cl)nc1)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	802069290	FXGZBQREECZGKB-DUXPYHPUSA-N	420.083	4.561	50	20	HJGD	
Cc1ccc2sc(C(=O)NNc3cc([N+](=O)[O-])ccc3Br)cc2c1	811496589	FHDHLRMQRDXJNW-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
COc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc(OC)c1OCC(F)F	812246651	QXORWUJATQSGPO-XGICHPGQSA-N	414.330	4.826	50	20	HJGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)c2sc(-c3ccccc3)nc2C)cc1	812435249	BSIBLIIXZFDFLO-UHFFFAOYSA-N	401.495	4.581	50	20	HJGD	
Cc1cccn2cc(COc3ccc(C(=O)NNc4ccc(Cl)cc4)cc3)nc12	844254997	FJQWLDFHZYJWLJ-UHFFFAOYSA-N	406.873	4.632	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)c2ccccc2)cs1)c1ccc(F)cc1F	915841619	QGSQZZJQGFPWEX-DHDCSXOGSA-N	409.417	4.896	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1cccc(OCc2ccccn2)c1	915944396	QUGJKUZTIPGIBA-UHFFFAOYSA-N	411.914	4.556	50	20	HJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc([S@](=N)(=O)O)cc3)o2)cc1	915983492	ITWBRJIMTMDKLD-FOWTUZBSSA-N	407.451	4.679	50	20	HJGD	
N#C[C@H](C(=O)CCCC[C@H]1CCSS1)C(=O)Nc1ccc(F)c(Cl)c1	916938801	MCGGMGWQODHJES-QWHCGFSZSA-N	400.928	4.841	50	20	HJGD	
COc1ccc(Cl)cc1C=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	917532245	PJGOJCHBBOKLPW-UHFFFAOYSA-N	424.913	4.821	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2csc(Br)c2)c1C	919936134	GOQCPPCBYWPQCU-RQZCQDPDSA-N	420.376	4.905	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c(Br)cc1O	921270658	WRQJKKAXEMXPFP-WCIBSUBMSA-N	415.218	4.574	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)C(=O)c1cc(F)cc(F)c1	1116803691	BUUCLIGAGRCNOI-QDEBKDIKSA-N	401.262	4.957	50	20	HJGD	
CCn1nc(C(C)C)cc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	1251746658	ODMGZGXNHRCMAP-UHFFFAOYSA-N	419.245	4.565	50	20	HJGD	
Cc1ccc(Cn2ncc3c(C(=O)NNc4c(F)cccc4Cl)cc(C)nc32)cc1	1320337318	CTIWPDQBUNEORV-UHFFFAOYSA-N	423.879	4.646	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)cc1C(F)(F)F	1324764596	PFNORGBTDLMBBQ-UHFFFAOYSA-N	412.293	4.834	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1	1786012630	RRGDDRUYTVYOQH-UHFFFAOYSA-N	409.313	4.946	50	20	HJGD	
CC(C)C1(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Br)CCC3)cc2)CCC1	1792049580	PCBDWAAEPGQGKS-OAHLLOKOSA-N	421.379	4.730	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)s2)CC1	1824611942	RGVOCGGVXHIKCA-ZWKOTPCHSA-N	411.011	4.697	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OCc1ccc(F)cc1	7158936	VZNHFJCFPYQRJZ-CPNJWEJPSA-N	418.472	4.795	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cc(C)c(OC(F)F)c(C)c1	7208142	YTQWSEARMUUPJD-CXUHLZMHSA-N	416.424	4.816	50	20	HJGD	
Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccncc2)nc2ccccc21	33808772	LYVFXLOUIYVXTM-CYVLTUHYSA-N	402.461	4.885	50	20	HJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cs2)cc1	141371013	LCHOGUZADHWJIL-LSPINASFSA-N	403.507	4.815	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	728175821	FVEHNMUZQCNBBZ-APSNUPSMSA-N	422.268	4.657	50	20	HJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)cc1OC	730435797	CJSKMUBMFXTCST-LCYFTJDESA-N	404.285	4.874	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCC(OC(C)C)CC3)c2C)c1	730509175	PMPKZVFQXGRJAZ-JCMHNJIXSA-N	405.542	4.726	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1c(Cl)cccc1OC(F)F	732924182	SDMGTROBUCRBQX-UHFFFAOYSA-N	402.825	4.713	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C	734393753	WNKMXOHWGDRURB-UHFFFAOYSA-N	423.347	4.772	50	20	HJGD	
CC[C@@H](NNC(=O)c1ccc(OCCC(C)C)c(OC)c1)c1ccc(F)cc1F	738418641	YUWSEXWPVZPQFA-LJQANCHMSA-N	406.473	4.784	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(F)c(F)c2F)c(Cl)c1	740926011	XOPRQKGAYNJNTL-UHFFFAOYSA-N	415.799	4.861	50	20	HJGD	
COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1OCc1ccncc1	741462775	PAYZMSYIMRKYSX-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
COc1cc(C(=O)NN(c2ccccc2)c2ccccc2)cc(OC)c1OC(F)F	742518480	DTZLFXJXZDCGQP-UHFFFAOYSA-N	414.408	4.788	50	20	HJGD	
CC(C)(C)CCCCNC(=O)NNC(=O)Nc1ccc(Br)cc1Cl	743591734	CSLQPHZCZIKDBK-UHFFFAOYSA-N	419.751	4.655	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1nc(C2CC2)n(-c2ccccc2Cl)n1	748017818	VQGHVUFWNWUSBK-UHFFFAOYSA-N	422.703	4.862	50	20	HJGD	
O=C(NNc1ccccc1F)c1ccc(COc2cccc(Br)c2)o1	748056277	PRUXRLOZSOXEBY-UHFFFAOYSA-N	405.223	4.517	50	20	HJGD	
Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NNc1ccc(F)cc1F	748288125	BXFUKJBRWAZQBJ-UHFFFAOYSA-N	405.788	4.529	50	20	HJGD	
N#Cc1ccc(NNC(=O)/C=C\c2ccccc2OC(F)(F)F)cc1C(F)(F)F	748623566	OQCMYTHCJZWYHN-VURMDHGXSA-N	415.293	4.632	50	20	HJGD	
CC(C)n1nc(C(=O)NN=C2C[C@@H](C)C[C@H](c3ccccc3)C2)c2ccccc2c1=O	749854373	NVKDPKUDGJUAEQ-HKUYNNGSSA-N	416.525	4.667	50	20	HJGD	
Cc1cccc(C(NC(=O)NNC(=O)c2c[nH]c3ccccc23)c2cccc(C)c2)c1	753047457	SOUKGVFNKJTPGC-UHFFFAOYSA-N	412.493	4.518	50	20	HJGD	
CNc1nc(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cs1	754433577	QZGLRJZMUFALGH-NSHDSACASA-N	410.874	4.726	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OC2CCN(CC(F)F)CC2)c(C)n1C1CCCCC1	755862023	LJRHYXZQSVYXQA-UYRXBGFRSA-N	419.516	4.790	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)NNC(=O)c2cccc3ncccc23)c1C	756870853	IIJXZFDWMMJMOP-UHFFFAOYSA-N	420.513	4.715	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1	757230298	LAPWFZORQOXUGY-OAHLLOKOSA-N	423.944	4.659	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(F)c(C(F)(F)F)c(F)c1	760468069	AJPVBXZLRSCRNC-UHFFFAOYSA-N	414.252	4.682	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)cnn1-c1cccc(C)c1	768092956	BORPWTPOCJDEQY-UHFFFAOYSA-N	418.419	4.789	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C	777482335	HTUQHFBSOIACHH-UHFFFAOYSA-N	400.486	4.503	50	20	HJGD	
N#CC1=CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)CC1	780688604	MTSAFOYIRITQGJ-UKHBAXEESA-N	420.397	4.791	50	20	HJGD	
O=S(=O)(Nc1ccn(CC(F)F)n1)c1ccc(S(F)(F)(F)(F)F)cc1	782912931	LFKNHEMSIFYBOK-UHFFFAOYSA-N	413.340	4.606	50	20	HJGD	
O=S(=O)(Nc1c(F)cccc1CO)c1ccc(S(F)(F)(F)(F)F)cc1	782915535	IWZVGAPXXVSVKG-UHFFFAOYSA-N	407.357	4.776	50	20	HJGD	
O=S(=O)(Nc1nnc(C2CC2)s1)c1ccc(S(F)(F)(F)(F)F)cc1	782933965	OVAQMHVRJBHDTO-UHFFFAOYSA-N	407.411	4.874	50	20	HJGD	
CC(C)c1ocnc1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783464804	IEYZOTUYKKLKHF-UHFFFAOYSA-N	420.381	4.574	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C	785153948	CZVWACBSONLPAG-UHFFFAOYSA-N	404.514	4.872	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	787493874	MGTUAOAIPNDGLL-LPDYGMJQSA-N	414.305	4.738	50	20	HJGD	
CCCNC(=O)C1CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1	788017773	AGCAIJFYOBVZNF-UHFFFAOYSA-N	404.671	4.947	50	20	HJGD	
C[C@H]1CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C[C@]2(CCCOC2)O1	792880231	BPLKKSIEFIJEJT-CVDCTZTESA-N	405.655	4.978	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1-n1cncn1)C(=O)c1cccc(C(F)(F)F)c1	794945225	YIJWAESONBNZQN-NSIKDUERSA-N	402.763	4.729	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3F)co2)c1C	796009351	OOZYARDBRHDEEA-ZNBBLSJYSA-N	422.460	4.652	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cc(Cl)ccc1I	799760711	OLAHQNZZGQEKGT-UHFFFAOYSA-N	414.674	4.572	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc3ccccc3nc2C)c1C	801070493	JUQHTEXAQSTODC-MOSHPQCFSA-N	402.498	4.807	50	20	HJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	802043952	XSWRBWJUNVJYFX-UHFFFAOYSA-N	424.473	4.567	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2	803602026	VASHEIGXRFYXNQ-ZROIWOOFSA-N	403.429	4.549	50	20	HJGD	
N#CCOc1cccc(NC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	814599287	YCRZMMXQQJBPLZ-UHFFFAOYSA-N	418.297	4.775	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	817010714	NYZOMZSVKYOOMD-GOSISDBHSA-N	405.857	4.990	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3Cl)s2)cc1OC	873877312	MOYLYCQPEANXPP-UHFFFAOYSA-N	400.887	4.850	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc(C(C)(C)C)no2)c(C)n1C1CCCCC1	906842023	ADMXPUXEAFCALE-LDADJPATSA-N	410.518	4.941	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2ccccc2OCc2cccnc2)c(C)n1-c1ccccc1	915938534	HBPHFCQGULKKOF-UHFFFAOYSA-N	424.504	4.832	50	20	HJGD	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	915985194	RBRMYAVYWRYYQV-MHWRWJLKSA-N	410.424	4.825	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1cccc(Cl)c1	916279115	QCJGARHIEYHEAC-UHFFFAOYSA-N	421.715	4.964	50	20	HJGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(C)nn1-c1ccc(C)cc1	917142359	AWGWOFLBZPRJFO-GZTJUZNOSA-N	406.873	4.697	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)c(Cl)c2)c1C	919851041	TXXJXEHGPHWZTR-YQYFLZKSSA-N	414.937	4.577	50	20	HJGD	
COc1cc(C(=O)NN=Cc2ccc(-c3ccc(C)cc3)s2)cc(OC)c1OC	920481895	CHXAVJUFJPNPCK-UHFFFAOYSA-N	410.495	4.513	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occ(Cl)c3c1)C2	1793682247	NXZWPPFLWFXZMN-IVSAIRAKSA-N	423.340	4.746	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3c(C)cccc3C)CC2)C1	1806165323	WMRMMUUYIPZJKO-IBGZPJMESA-N	404.982	4.556	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828408670	NUNQULXTCQZZAW-MOPGFXCFSA-N	414.993	4.686	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2ccccn2)ccc1OCc1ccc(C(=O)OC)o1	7155342	UUNGONBTQMGJMF-SFQUDFHCSA-N	404.422	4.503	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cnc(-c2ccccc2)s1	727256931	QPNOQCJKWWBRDR-INIZCTEOSA-N	401.491	4.881	50	20	HJGD	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792081	IKRANRLEKJNNHH-MRVPVSSYSA-N	422.095	4.529	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1Oc1ccccc1	727793661	YDFCLZGIYFMEMM-UHFFFAOYSA-N	401.249	4.861	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3scnc3C)c2C)cc1	731174789	YBLJNSIBACIPRA-JAIQZWGSSA-N	404.539	4.733	50	20	HJGD	
O=C(Nc1sccc1C(=O)NN=C(c1ccccc1)c1ccccc1)c1ccco1	731473190	JNZMAOLACCKBRW-UHFFFAOYSA-N	415.474	4.776	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc(C)c(F)c3)cc2)n1	731485865	FARPPQWPNXMYHC-UHFFFAOYSA-N	408.502	4.597	50	20	HJGD	
COC(=O)c1ccc(CCC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	731569388	JVQHPTOIVIWTJM-UHFFFAOYSA-N	401.677	4.509	50	20	HJGD	
Cc1noc(C)c1[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	733763629	DJWQTTJOGUTELP-KVMVOAJRSA-N	406.461	4.622	50	20	HJGD	
CN(C)c1ccc([C@@H](CNC(=O)NNc2ccccc2)c2c[nH]c3ccccc23)cc1	734265766	QIGLQHWNNLWEAE-JOCHJYFZSA-N	413.525	4.692	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc(OC)c2OC(F)F)c1C	734970856	JUAHDWOBDCFFRK-WOJGMQOQSA-N	418.440	4.775	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1C	735702884	RNVWBKHXMRXIHB-FMDURADSSA-N	420.340	4.579	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2coc(-c3ccccc3)n2)c1C	741608638	ZQARTKREJFPYPZ-FYJGNVAPSA-N	402.498	4.783	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	741893769	UOIHKWBLWRCUBH-PMACEKPBSA-N	413.304	4.640	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2cccnc2)c(C)n1-c1ccccc1F	743723451	UZHIBNJWYCKZGX-WBRURWICSA-N	402.473	4.755	50	20	HJGD	
C[C@@](Cc1nc2ccccc2s1)(C(=O)NNc1cccc(C#N)c1)c1ccccc1	748030794	KSRIYXNKFKWUNU-DEOSSOPVSA-N	412.518	4.812	50	20	HJGD	
CCOc1ccc(Nc2ncccc2C(=O)NNc2ccc(OC(F)F)cc2)cc1	748638097	QVXYTRWCMXBIKE-UHFFFAOYSA-N	414.412	4.582	50	20	HJGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	750798292	BPWPJIPAYQXQJD-ULQDDVLXSA-N	416.653	4.852	50	20	HJGD	
Cc1ccnc(NNC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1	755850564	LGGICABVNSMWHV-UHFFFAOYSA-N	406.515	4.509	50	20	HJGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cc(Cl)ccc2SC2CCCC2)c1	755895162	RTTZTLXOECWOLQ-UHFFFAOYSA-N	424.975	4.535	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCCC[C@@H]3C)s2)cc1	764762709	MMABEXKIEJKBKL-AWEZNQCLSA-N	420.629	4.913	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(C(F)(F)F)nc1Cl	768007844	PANKPXJFHHETIQ-UHFFFAOYSA-N	402.562	4.957	50	20	HJGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)Nc1cccc(-c2cccs2)c1	769992421	CRHIFHIBIIRZTO-UHFFFAOYSA-N	423.466	4.560	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccccc1NCc1ccco1	771745385	QQSGTIUMHYVOPQ-UHFFFAOYSA-N	404.239	4.550	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1	776012475	NOGRIXKCDYACHX-UHFFFAOYSA-N	411.874	4.657	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2O[C@H](C)C#N)c(C)n1CCC(C)C	780149576	OTSCXOSMNCTBHR-KOMLCTQHSA-N	404.514	4.988	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)c1Cl	782368386	DOCHQHUJSWBPLQ-RMKNXTFCSA-N	407.701	4.901	50	20	HJGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)cc1	783342885	CFFVOXKZIDOJQE-GOSISDBHSA-N	403.482	4.525	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c([N+](=O)[O-])c1	789198141	AGXFQAUUVJTILR-UHFFFAOYSA-N	421.331	4.639	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3)cs2)c1C	789927484	ZSPZGHCHVHUTJA-IWEBCOIVSA-N	420.538	4.982	50	20	HJGD	
COc1cc(NNC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)ccc1Cl	790170679	ADKDJWUSNWLBCC-UHFFFAOYSA-N	424.810	4.618	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(-c2ccccc2C(F)(F)F)o1	790592416	XAPBERLXEGANQJ-UHFFFAOYSA-N	409.295	4.770	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1F	790595399	YVHYPEJTPBQXAT-UHFFFAOYSA-N	401.344	4.744	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2occc2CSc2ccccc2)cc1C	792951064	BONQMIDKMCPEHT-UHFFFAOYSA-N	411.552	4.820	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N(CCc1ccccn1)Cc1cccnc1	797699831	HQLRBONAEVGDEH-HXUWFJFHSA-N	401.601	4.762	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1C	798017313	LSOPDGUSHMIMGY-YLBHWZRGSA-N	411.933	4.545	50	20	HJGD	
Cc1ccc(F)c(C(=O)NNc2c(Br)cccc2Br)c1F	801500530	SKXNCKLLWZMKHT-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	805379218	UNCPLRDFKVLJSD-UHFFFAOYSA-N	424.404	4.608	50	20	HJGD	
Cc1cc(C)c2c(-n3cccc3)c(C(=O)NNc3nccnc3C3CCC3)sc2n1	805462116	ZEYLGWHTZGKMIQ-UHFFFAOYSA-N	418.526	4.518	50	20	HJGD	
Cc1cccc2sc(C(=O)NNC(=O)c3cc(-c4ccccc4)on3)c(Cl)c12	831202351	ORXBJXDYHXHUAD-UHFFFAOYSA-N	411.870	4.593	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	900526069	SJOSIMUOHNDYDB-XLNRJJMWSA-N	403.526	4.641	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1C	913020453	XROMHDBJYNMBJF-LJJBLSSYSA-N	409.505	4.551	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nccn2Cc2ccccc2)c1C	914623515	PAKBFUACDZZFFJ-HZHRSRAPSA-N	416.525	4.800	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1cccc(Cl)c1	914691677	GRCATKQAGJSEIB-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1C	915283294	JCGJFXGLYIUKRH-DHDCSXOGSA-N	418.400	4.570	50	20	HJGD	
CC(CCN(C)C)=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	915940066	VSFMDMJWHUREEG-UHFFFAOYSA-N	412.584	4.646	50	20	HJGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl	916367196	VOPPGIXPDTZMQS-OAHLLOKOSA-N	419.982	4.502	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1	918654133	RYPVUZHDFKZWOI-RWZYYMRUSA-N	417.509	4.646	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(F)c(Cl)c2)c1C	918809239	GLPBGQXYRFBIOM-PACYTGELSA-N	404.869	4.755	50	20	HJGD	
CCCNC(=O)NNC(=O)c1oc2ccccc2c1CSc1ccccc1Cl	921166544	YPZRMPCZWPMQMU-UHFFFAOYSA-N	417.918	4.733	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)/C=C/c3ccccc3)cc2)cc1	934148155	UJQJMNFTRCWLND-CAOOACKPSA-N	420.534	4.799	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(F)(F)c3ccco3)CCC2)cc1	1786447222	YLCHSAMARSVANY-INIZCTEOSA-N	424.875	4.913	50	20	HJGD	
Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c1F	1824009079	NVKIRGBQLUGUBG-IBGZPJMESA-N	422.972	4.632	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)cc2)CC1	1830312091	GHDNRIATKATJJV-FGZHOGPDSA-N	419.009	4.565	50	20	HJGD	
N#C/C(=C\c1ccccc1OCC(=O)N1CCCC1)c1nc(-c2ccccc2)cs1	18903066	KYHKJLWBLCCSDG-XSFVSMFZSA-N	415.518	4.875	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(NC(=O)C(F)(F)F)c1	214376299	RKJQWAKQFLAASU-JYRVWZFOSA-N	407.779	4.695	50	20	HJGD	
Cc1ccc(C)n1C1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1	725799912	ZXJFXHWGVQBRFW-UHFFFAOYSA-N	406.510	4.756	50	20	HJGD	
COc1cc(C(C)=NNC(=O)c2cccc(OC(F)F)c2)ccc1SC(F)F	728433973	BDPWIBGEUSNOFT-UHFFFAOYSA-N	416.396	4.765	50	20	HJGD	
O=C(NC[C@H](O)Cc1ccccc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	729553035	MEEPOOWMMLWNIQ-CZUORRHYSA-N	418.868	4.631	50	20	HJGD	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	730446511	AVYJGAOUMVBUBY-PXRHCINRSA-N	409.357	4.536	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1nc(-c2ccccc2)cs1	730581192	PYZCUTTXNXJWCA-HNNXBMFYSA-N	416.506	4.669	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC2(Sc3ccccc3)CC2)c1C	731594561	KEPDVFZOPBXQKG-LZAZYHHXSA-N	423.582	4.660	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	733927426	OKJJOJCZVNGGQG-UHFFFAOYSA-N	410.905	4.552	50	20	HJGD	
C[C@@H]1C[C@@H]1[C@@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1	743660742	QVEDBEIWZBXNOD-OPTDVMCPSA-N	415.965	4.584	50	20	HJGD	
CC[C@@H](C)C[C@@H](C)NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	745888509	OQTWKGCFNFLHLD-IAGOWNOFSA-N	404.514	4.671	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(COc2ccc(Br)cc2)o1	748572152	YJTZHDJGJXNUGH-UHFFFAOYSA-N	419.250	4.826	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c[nH]c2ccc(Br)cc12	748732060	QYWLBRFTYPZEKF-UHFFFAOYSA-N	423.108	4.758	50	20	HJGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	750818070	OJTTWBGXNUYLFL-SXGWCWSVSA-N	403.463	4.644	50	20	HJGD	
C[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCS1	756277454	GZJZLGAXMUPQSV-JTQLQIEISA-N	404.426	4.637	50	20	HJGD	
Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)NNC(=O)c3cccnc3)cc2)c1	756684555	KMGJGWMCDUJKKH-UHFFFAOYSA-N	418.497	4.559	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OCc2cccc(Cl)c2)c(-c2ccccc2)n1	761411566	VNLZEXTZEWMZPZ-CPNJWEJPSA-N	416.868	4.768	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc(F)c(Cl)c1Cl	761786969	UJENWKIGHFOXMK-UHFFFAOYSA-N	408.285	4.949	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccccc1NCc1ccco1	765005141	ZSYVMWZQBNPLSE-UHFFFAOYSA-N	404.239	4.550	50	20	HJGD	
Cc1oc2ccccc2c1CNC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	767215122	VNOQANUKMCSJGQ-GUBQRQEFSA-N	417.509	4.562	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(Oc3ccccc3Cl)cc2)c([N+](=O)[O-])c1	768338535	MNJVJVITKZGKQG-UHFFFAOYSA-N	413.817	4.806	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(c2ccccn2)C2CCCC2)c1C	769723719	NULWWMLBDMMXLU-SBGXLDQMSA-N	406.530	4.590	50	20	HJGD	
C[S@](=O)c1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1F	770043624	YPNATRZFERWCKD-DEOSSOPVSA-N	410.685	4.672	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(NC(=O)c2cccs2)cc1	777482601	LRMSVDFXKSVJSS-UHFFFAOYSA-N	402.479	4.614	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)NC12CC3CC(CC(C3)C1)C2	786590908	YBEVPQFMHLUMMO-DDLCOGFTSA-N	411.633	4.717	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(Br)c(Cl)s2)n1	790101095	UNBOZKHZDKALIW-CLTKARDFSA-N	403.710	4.861	50	20	HJGD	
COc1cc(NNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)ccc1Cl	790177684	JQNSHAVLETYEBN-FQEVSTJZSA-N	422.868	4.560	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1ccc2ncccc2c1	794885333	QRMWBSFOADXWCK-DHDCSXOGSA-N	408.211	4.695	50	20	HJGD	
CCn1ncc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1C(F)(F)F	798542997	DCMYISDRLLXGNF-PXNMLYILSA-N	407.440	4.542	50	20	HJGD	
CC(C)c1csc(/C(C#N)=C/c2cn(-c3ccccc3Br)nn2)n1	811692691	YKIRNEJCKKJNBW-KPKJPENVSA-N	400.305	4.674	50	20	HJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2ncnc(Cl)c2C(C)C)on1	816486147	QJAYBERYAHAMCU-UHFFFAOYSA-N	417.922	4.599	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3cccc(Cl)n3)c(-c3ccccc3)n2)cc1	817011068	FAJQDYVJSUTEPJ-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccc(Cl)s1	817015512	FQRRJKNHPMCSQW-UHFFFAOYSA-N	416.730	4.765	50	20	HJGD	
Cc1c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2c1C(=O)CCC2	817015856	UYDFPPQSKMMDEV-UHFFFAOYSA-N	419.325	4.637	50	20	HJGD	
O=C(Nc1ccc(NC(=O)C2CC2)cc1)NN(Cc1ccccc1)c1ccccc1	915338640	WHPLBUQWUULEMX-UHFFFAOYSA-N	400.482	4.778	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)[C@H](C#N)c2ccc3ccccc3n2)c(C)n1C[C@@H]1CCCO1	916848702	NQPBPNZEXIQAII-PNJXQCJQSA-N	424.504	4.616	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OCCOC)cc2C)c1C	917743636	DOYMECICIPDYHK-QNGOZBTKSA-N	409.530	4.784	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)Cc2ccc(Br)cc2)cc1	918581700	QMOLUTRHOSVJIR-COYFKBPASA-N	413.315	4.502	50	20	HJGD	
C=CCOc1cccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1	919873158	KJWYFBLCRMJBMB-HMMYKYKNSA-N	423.476	4.574	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cc2cc[nH]c2cc1F	1788587421	QSTAAOILWZHPQF-GOSISDBHSA-N	417.843	4.589	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCc4ccoc4C3)CCC2)cc1	1790484073	CSYNTBLYTXSXHZ-APWZRJJASA-N	414.933	4.536	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](Cl)CCC)n[nH]1	1815320749	GWOAAXXOIIWORS-RDJZCZTQSA-N	408.974	4.802	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1824613864	XIYILWZMYAGOLW-OALUTQOASA-N	414.993	4.686	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3c2CCCC3)c(C)n1C[C@H]1CCCO1	15302469	UKSJPSPZRXWGNE-QJUACMODSA-N	403.526	4.708	50	20	HJGD	
N#C/C(=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)Nc1ccc(C(=O)O)cc1	72057948	RWYBOAZFEFAOFJ-NSIKDUERSA-N	415.232	4.556	50	20	HJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1ccc(CSc2nnc[nH]2)cc1	104709631	XGSYQCCGEZHRMN-UHFFFAOYSA-N	401.495	4.580	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2ccncc2)c(C)n1-c1ccccc1F	195722072	ROPGVECVLNNJGI-JPOGYNCRSA-N	402.473	4.755	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1OC	215875390	QFWYVAAYLPIJRG-SDQBBNPISA-N	407.253	4.565	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	728717067	NBZQZIQXOUPDRW-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1C	729974091	RYKVPSUWQCHNBL-XRDRVDSQSA-N	419.569	4.701	50	20	HJGD	
CCc1ccc(-c2nc(CC(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])cs2)cc1	732057906	KXAKGEMIUDFOHH-UHFFFAOYSA-N	416.890	4.620	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	732978043	DTKMZMFCRKRUKV-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
O=C(COc1ccc(C2SCCCS2)cc1)NNc1nccc2sccc12	734249565	AQNIBJVYHVLLJP-UHFFFAOYSA-N	417.581	4.687	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@@H]1C[C@H]1c1c(F)cccc1F	734947734	ZBOQGOPYCLOKDO-KSBSHMNSSA-N	407.635	4.502	50	20	HJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NNc1ncccc1C(F)(F)F	740095310	HCPKYRJQPJFHEY-UHFFFAOYSA-N	408.207	4.710	50	20	HJGD	
CCOc1c(Cl)cc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)cc1OC	741771515	MXDXKLUMNGDKMQ-UHFFFAOYSA-N	413.808	4.504	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1	742962106	KUFWREXSFRUXPE-FHRJKZKGSA-N	404.510	4.585	50	20	HJGD	
C[C@@H](C=NNC(=O)c1ccc(Br)s1)c1cccc(Br)c1	747629904	JXBOAZLNZKGJTR-VIFPVBQESA-N	416.138	4.792	50	20	HJGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNc1ccccc1Br	748066025	HKEKYJLUDUZYLQ-UHFFFAOYSA-N	402.317	4.562	50	20	HJGD	
C[C@H](C(=O)NNc1cccc2cnccc12)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	748776074	LNMJFDKQHNYOHU-KKSFZXQISA-N	420.513	4.580	50	20	HJGD	
CCC(=O)c1ccc(OCCCCC(=O)NNc2cccc(Br)c2)cc1	749193845	NFQMASMVFLSZLL-UHFFFAOYSA-N	419.319	4.734	50	20	HJGD	
CCCCN1C(=O)CC[C@H](C(=O)NNc2cc(C)cc(C)c2)[C@H]1c1ccccc1OC	750715487	BVSNXNLLLOALNI-XUZZJYLKSA-N	423.557	4.535	50	20	HJGD	
O=C(CCNC(=O)C1CCCCC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	751072533	NIDGZUAORCCJAH-QGZVFWFLSA-N	422.900	4.931	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1	753376921	IMJBPEHEYIKMEM-YZYPPFLQSA-N	403.438	4.655	50	20	HJGD	
Cc1nc(=NC(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n(-c2ccccc2)[nH]1	759139002	UESFCJNLCFYVJK-UHFFFAOYSA-N	404.364	4.907	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1NCc1ccccc1	764121803	QAQHUAQQSVTOJB-UHFFFAOYSA-N	414.292	4.680	50	20	HJGD	
Cc1noc(C2CC2)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	766618895	FNFNGUMXJZPITM-WOJGMQOQSA-N	404.445	4.953	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCOC4(CCC4)C3)c2C)cc1	768397345	NJRBYVRULIHRTP-QJUACMODSA-N	403.526	4.527	50	20	HJGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	770031562	XCEYFBFHYURFPC-JOCHJYFZSA-N	418.472	4.952	50	20	HJGD	
CSc1cccc(C)c1NC(=O)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	770782231	QSJYHXNUTXPSBQ-UHFFFAOYSA-N	418.733	4.759	50	20	HJGD	
CC(=O)c1cccc(OCc2cc(C(=O)NNc3cc(Cl)ccc3Cl)no2)c1	770811605	OISGGRJFSGZPER-UHFFFAOYSA-N	420.252	4.520	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cccc(COCc2ccco2)c1	775523308	IGSTZUXLDUPQOP-UHFFFAOYSA-N	406.364	4.559	50	20	HJGD	
O=S(=O)(Nc1cnc(C2CC2)nc1)c1cccc(S(F)(F)(F)(F)F)c1	777624936	UTXYTMWPPJZYOD-UHFFFAOYSA-N	401.382	4.812	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1	777871257	JZRINEAUJHSVSB-LZYBPNLTSA-N	424.357	4.907	50	20	HJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)Nc1nc(-c2ccncc2)cs1	779797900	LHXAYGJQTSQLJU-XNTDXEJSSA-N	410.886	4.803	50	20	HJGD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1C1CC1	782820802	JEIIKCRHDMPRDH-QGZVFWFLSA-N	417.513	4.540	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	787148485	QYIZNFYKFHRKBE-GHRIWEEISA-N	417.852	4.844	50	20	HJGD	
CC(C)(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	791007369	NDCJHQGDZHWVRJ-ZDUSSCGKSA-N	416.412	4.556	50	20	HJGD	
CCCCCNC(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1	797345811	SABIYHOOVGYUGV-LDADJPATSA-N	410.543	4.658	50	20	HJGD	
COc1cc(C(=O)NN=C/C(C)=C\c2ccccc2C(F)(F)F)cc(OC)c1OC	799866558	KVKKMQXCLRTBQX-YSXXFGCXSA-N	422.403	4.550	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cc2ccccc2o1	801500651	YNOKBBFJRGFUHD-UHFFFAOYSA-N	410.065	4.715	50	20	HJGD	
O=C(NNC(=O)c1ccc(Oc2ccccc2Cl)nc1)Nc1ccc(Cl)cc1	802015433	MQVJFFJDUHHSBP-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccc2cccc(Br)c12	802830184	MDONDFXZHXADGQ-UHFFFAOYSA-N	407.214	4.961	50	20	HJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3ccc4c(=O)[nH]ccc4c3)c2c1	803428951	SGXRBSAJINVPSZ-UHFFFAOYSA-N	420.472	4.809	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(C(F)(F)F)cn1)c1ccc(F)c(Br)c1	812550235	WASURFLOBXOZPQ-SECBINFHSA-N	420.204	4.639	50	20	HJGD	
CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	819475145	HFSUFZUIVYPTQN-RDTXWAMCSA-N	406.368	4.572	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2ccccc2OCc2ccccn2)c(C)n1-c1ccccc1	819843389	XVSNHIXKHRXBCM-UHFFFAOYSA-N	424.504	4.832	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1	915197271	QCDJSHANOVWTGD-OWBBTNHHSA-N	401.466	4.540	50	20	HJGD	
O=C(NNc1ccc(F)cc1)c1cccnc1Oc1ccc(F)cc1Br	916162705	FXETWOPPZBWWBK-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
COc1cccc(C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1OC(C)C	916336521	HRWIWIHRUYYEKY-QGZVFWFLSA-N	406.482	4.553	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)c1ccc2ccccc2c1	918111423	YSSHHKATPUUEOL-UHFFFAOYSA-N	402.425	4.633	50	20	HJGD	
Cc1cc(C(=O)NNc2cncc(Br)c2)sc1-c1ccc(F)cc1	1324494049	PPTIHKMLDAGOFA-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1	1786443073	VPQOJDUXSICWCW-YOEHRIQHSA-N	412.908	4.963	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccccn3)CCC2)cc1	1786446033	FLVDFYJYOUFCQW-QFBILLFUSA-N	413.949	4.727	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CCC2)cc1)[C@@H](F)Cl	1788580721	PPDLJVSMSWJYEV-GUDVDZBRSA-N	418.871	4.598	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](F)Br)cc2)CCC1	1790536683	XSRHLJIBQOASST-IRXDYDNUSA-N	423.326	4.579	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](Cl)CCC)CC1	1824610725	RFNLFUOSHAIKAK-RTWAWAEBSA-N	409.014	4.782	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1	1826526414	HVPHFTHSWFSRIJ-JSJGNVMISA-N	416.993	4.727	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1	1829976580	ZXAYLTULKDWEIR-OALUTQOASA-N	411.373	4.591	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3nccs3)cc2)c1C	10448338	AFPSNAMDXWUUGD-DORSJAEJSA-N	420.538	4.982	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1	71804425	FCVBLTLNDZKWCZ-UHFFFAOYSA-N	411.461	4.646	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(Br)c1O	89534374	MGGYCRMZVVNKKS-QPEQYQDCSA-N	411.255	4.743	50	20	HJGD	
C[C@@H](Sc1ccccc1Br)C(=O)C(C#N)=C1Nc2ccccc2N1	104873305	HXAIBVMYAHKHCY-LLVKDONJSA-N	400.301	4.772	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3scnc3C)c2C)cc1	727771188	DWTSRTQFMQVOHE-VCHYOVAHSA-N	407.495	4.518	50	20	HJGD	
Cc1cccc2sc(C(=O)NNC(=O)c3cccc(OC(F)F)c3)c(Cl)c12	728486368	AOCYEBSZOOXRCG-UHFFFAOYSA-N	410.829	4.539	50	20	HJGD	
O=C(Cc1ccc(-n2cccc2)cc1)NNc1ccc(Br)cc1Cl	729275447	KJYIQRFXRJCHNC-UHFFFAOYSA-N	404.695	4.579	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c(Cl)c1OC	730435037	WCGJYQKHQNBXMM-FMIVXFBMSA-N	410.779	4.922	50	20	HJGD	
O=C(NN=Cc1cccc(F)c1F)c1cn(-c2ccccc2)nc1-c1ccccc1	730721663	IRRWZTSKNFATTR-UHFFFAOYSA-N	402.404	4.581	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cccnc2)c(C)n1-c1cccc(Cl)c1	733153110	FRKWALXVZADDLU-VBNMEBLOSA-N	404.901	4.927	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3cc(F)c(F)cc3F)c2C2CC2)cc1Cl	734553608	UIVSRCSJJKHBGR-UHFFFAOYSA-N	420.822	4.886	50	20	HJGD	
O=C(NCc1cccc(COCc2ccccc2)c1)NNc1cc(F)c(F)cc1F	734658205	DGUXBCJFNWYCGG-UHFFFAOYSA-N	415.415	4.647	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1	741929254	IBCIAHRERXTDEN-RPWUZVMVSA-N	400.522	4.744	50	20	HJGD	
O=C(NCCc1ccc(Cl)cc1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743503037	PBOLGZPKQCTQDO-UHFFFAOYSA-N	408.889	4.585	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1csc2ccccc12	743597909	KEUBALDWYGJTEK-NSHDSACASA-N	420.441	4.600	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)N1CCC[C@H]2CCC[C@@H]21	743951773	SDPJJNRAKJAQCO-ZUCKAHLUSA-N	420.884	4.636	50	20	HJGD	
Cc1csc([C@@H](NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)C2CC2)n1	745864352	OGODNTRDPOEPOZ-IBGZPJMESA-N	421.526	4.606	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc(-c2ccncc2)nc2ccccc12	748649069	CICICHROIWLVOS-UHFFFAOYSA-N	406.392	4.655	50	20	HJGD	
CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	750045483	RLTWPQFQRMZZCX-YVNNLAQVSA-N	405.433	4.553	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCOCC2(CCC2)C1	759138466	MXAWBMHESBEBHV-UHFFFAOYSA-N	407.426	4.535	50	20	HJGD	
COc1cc(C(=O)NN=Cc2ccc(F)c(C#N)c2Cl)ccc1OCCC(C)C	761766575	HZQMBFHWNRBTRS-UHFFFAOYSA-N	417.868	4.548	50	20	HJGD	
COC(=O)c1coc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762457834	WBRSRFAUDOATIS-UHFFFAOYSA-N	407.338	4.524	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cn(-c3ccc(Br)cc3)nc2C)c(C)c1	764425186	SQWKDFGVPIUPOD-UHFFFAOYSA-N	413.319	4.625	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc(Br)c1OC	764890974	HETYQUDFEDAFQN-SXGWCWSVSA-N	400.272	4.955	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(Br)cc1[N+](=O)[O-]	767717837	OQUXPKNYLMWIPC-RIYZIHGNSA-N	400.232	4.520	50	20	HJGD	
N#C/C(=C/c1ccccc1OC(F)(F)F)C(=O)Nc1nc2ccccc2nc1Cl	767898793	DYSUGSZODGNHPK-XFXZXTDPSA-N	418.762	4.727	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(Br)c(F)c2)cc1[N+](=O)[O-]	771691347	SBXVBXSWVOXKBH-UHFFFAOYSA-N	410.243	4.551	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2oc3ccccc3c2c1	773750859	ITMBAZXHJBPIPT-UHFFFAOYSA-N	413.355	4.687	50	20	HJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNC(=O)c2c(Cl)cccc2Cl)s1	773821259	FYVQSABZYACRPC-UHFFFAOYSA-N	420.321	4.809	50	20	HJGD	
O=C(NN=C1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1nnc(O)c2ccccc12	776179149	NIEVKSAJXVNKPY-GFCCVEGCSA-N	415.280	4.696	50	20	HJGD	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	776488830	ZECBHZQDDNKXFX-JFLYLQGUSA-N	407.562	4.762	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1oc2ccccc2c1CSc1cccs1	781833097	FQCZRAAZEOJNMA-UHFFFAOYSA-N	416.915	4.987	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)c1ccc(Cl)cc1F	782890414	YFYUDQIQUARFQG-YHYXMXQVSA-N	405.191	4.642	50	20	HJGD	
N#C/C(=C\c1ccc(OCC2CC2)cc1)C(=O)Nc1nc(-c2ccncc2)cs1	790100466	PWTWXYSVLYFEKW-WOJGMQOQSA-N	402.479	4.540	50	20	HJGD	
C[C@]1(C(=O)O)CCCC[C@@H]1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790620531	QWOHFEGKFJXJSK-JSGCOSHPSA-N	423.425	4.656	50	20	HJGD	
CSSCCNC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C	791150442	LYMUFDCANFBANR-UHFFFAOYSA-N	400.978	4.703	50	20	HJGD	
Cc1nc(-c2ccccc2NC(=O)NNC(=O)c2cccc3ccccc23)cs1	797668910	CXOIWEGEDMOZFR-UHFFFAOYSA-N	402.479	4.738	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799836859	GCIYMCSGXHBWBW-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1c(F)ccc(Br)c1F	799875614	IPSJQAGUYFRMAV-UHFFFAOYSA-N	403.226	4.573	50	20	HJGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2cc3ccccc3c3cccnc23)c1	802114709	LWFZTRCJWUCNBP-UHFFFAOYSA-N	420.856	4.517	50	20	HJGD	
O=C(Nc1cccc(F)c1)C1CCN(Cc2ccc(OCCCCl)cc2)CC1	811460597	QLMCFYFJQPXURC-UHFFFAOYSA-N	404.913	4.684	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc3sccc3c2)c(C)n1C[C@H]1CCCO1	811589374	KDQCZCWXOHJCAO-BYUJNSPJSA-N	419.550	4.722	50	20	HJGD	
COc1ccc(NNC(=O)c2occc2COc2ccccc2)c(C(F)(F)F)c1	816701659	FUUIOEHVSAUMAT-UHFFFAOYSA-N	406.360	4.643	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1[N+](=O)[O-]	817014286	ACSHVAXXJYNKEC-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c3ccco3)c2C)cc1	914495982	PFFCHQTZUYOTDH-SQVRNEIYSA-N	403.482	4.822	50	20	HJGD	
CCCCNC(=O)/C(C#N)=C/c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl	915849254	GNTBEVBYRLVLJE-UKTHLTGXSA-N	410.827	4.676	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)N[C@H]1CCSc2ccccc21	915896288	MCJGTSFUHXPCQA-INIZCTEOSA-N	415.584	4.588	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)c1ccc(O)cc1	916265444	KVZZITXZGUTJBA-UHFFFAOYSA-N	416.868	4.662	50	20	HJGD	
O=S(=O)(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(CCCl)cc1	917736217	BMOCAWDRDWJHHD-UHFFFAOYSA-N	402.903	4.801	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N(Cc1cccnc1)c1ccc(Cl)cc1	917908652	FJXXCYZZUCUZNW-UHFFFAOYSA-N	421.349	4.912	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cs2)cc1	920065031	RNHRPQRULRMKKP-GZTJUZNOSA-N	419.506	4.893	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c(Br)cc1O	921270657	WRQJKKAXEMXPFP-NYYWCZLTSA-N	415.218	4.574	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1C	1319387349	UPCCXANNXGZCLA-UHFFFAOYSA-N	419.710	4.568	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)nc2ccccc12	1346734556	FLQHAPMGKPUEOP-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1	1786070509	UPVXDMLJKVGPCK-CYBMUJFWSA-N	421.360	4.527	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1	1791360573	XJTAMBZYOZVTCS-SFHVURJKSA-N	421.379	4.874	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccc(F)cc1	7156211	RAAOQEHLMQMJHX-QGOAFFKASA-N	409.424	4.619	50	20	HJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNC(=S)Nc3ccc(OC(C)C)cc3)oc12	727494135	CCBJBZGNZLPGBV-UHFFFAOYSA-N	411.527	4.777	50	20	HJGD	
CCOc1cccc(C=NNC(=O)c2c(Cl)cccc2Cl)c1OC(F)F	727781824	XVTVYCZIEUQYFQ-UHFFFAOYSA-N	403.212	4.757	50	20	HJGD	
CCSc1ccc([C@H](C)NC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1	728944529	FLAOTSOWTMEHJY-KGLIPLIRSA-N	417.600	4.690	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)c1ccc(F)cc1	730588841	IMEAFQBYTPQITF-BKUYFWCQSA-N	408.436	4.922	50	20	HJGD	
O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NNc1cccc(C(F)(F)F)c1	732911343	ULCIRZCPSJZEKV-UHFFFAOYSA-N	424.426	4.789	50	20	HJGD	
C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	734362934	DOXXWGUGWALYFL-INIZCTEOSA-N	422.529	4.577	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2OCC2CC2)c1C	740808801	MOYWPLBQDWYLSZ-RHLNUJDMSA-N	407.514	4.647	50	20	HJGD	
Cc1cccn2c(/C=C(/C#N)C(=O)Nc3nc(-c4ccccc4Cl)cs3)cnc12	741471832	PIUWMKMRBDURJW-ZROIWOOFSA-N	419.897	4.965	50	20	HJGD	
CCC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)[C@H]1CCOC1	741836859	FUNGSQYNQFMJOB-QFIPXVFZSA-N	402.494	4.951	50	20	HJGD	
N#Cc1ccc(NC(=S)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1Cl	741856077	HAZZMWOBHBLTOV-UHFFFAOYSA-N	421.913	4.902	50	20	HJGD	
Cc1nc(C)c(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)s1	742088955	UMJIFLPPTBGMGW-RGVLZGJSSA-N	404.539	4.699	50	20	HJGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)o1	743540873	ADEOIPUZTLWUGY-QRWLVFNGSA-N	404.470	4.606	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc3ccc(Br)cc3[nH]2)cc1C(F)(F)F	746895328	DDSGICVJJLQOPQ-UHFFFAOYSA-N	423.192	4.578	50	20	HJGD	
COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ccccc2F)cc1	748056741	SBWCPNLVBLWVMJ-UHFFFAOYSA-N	416.456	4.503	50	20	HJGD	
COc1ccc(SCCC(=O)NNc2cc(Cl)ccc2Cl)cc1OC	748510424	FFYFHOTYKIZRJS-UHFFFAOYSA-N	401.315	4.636	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	750044520	YRXZNHWFAHMTSH-SSDVNMTOSA-N	405.433	4.553	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)C(=O)Nc1ccccc1Br	755699649	LBULHJVZVYXXBQ-FMIVXFBMSA-N	411.234	4.524	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2nnc(C(C)(C)C)s2)c(C)n1CCC(C)C	758628921	ZIZCVOIYWKRECX-WOJGMQOQSA-N	413.591	4.523	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Br)cc2)cnn1-c1ccccc1C	760460601	RZTDOLSPZCWPQV-UHFFFAOYSA-N	413.319	4.653	50	20	HJGD	
CC1(C)CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1C(=O)O	766329022	RSVHFDCRMSCDCP-GFCCVEGCSA-N	423.425	4.608	50	20	HJGD	
O=C(O)c1cc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cs1	766570869	MVXOETPBBQIYSB-UHFFFAOYSA-N	409.379	4.905	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	767032373	LEFWWQFEVFRBLI-SNVBAGLBSA-N	402.182	4.638	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)c1cc(F)cc(F)c1	772176577	NWCCDZWMSKKIHY-SSWSSLRGSA-N	403.812	4.966	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1	775533690	MACIKHCHBNQYCX-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
O=S(=O)(N[C@H](CCO)c1ccccc1)c1cccc(S(F)(F)(F)(F)F)c1	777979137	OZMIZSFSCAISGY-OAHLLOKOSA-N	417.421	4.746	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1	780789898	MLHLNRQYWZNKBG-UHFFFAOYSA-N	415.424	4.584	50	20	HJGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)C(=O)Nc1cc(Cl)ccc1Cl	785160894	IYDGPBFWZHWYGK-UHFFFAOYSA-N	423.687	4.585	50	20	HJGD	
CN(CCN1CCOC(C)(C)C1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	788662931	OKVSYAQNUZQURT-UHFFFAOYSA-N	417.444	4.919	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3F)o2)cc1	790101529	ZTJDYMUAPAYNDZ-KAMYIIQDSA-N	407.376	4.729	50	20	HJGD	
COc1cc(NNC(=O)CCc2ncc(-c3ccccc3Cl)o2)ccc1Cl	790172613	YQFFAVIANODDTF-UHFFFAOYSA-N	406.269	4.733	50	20	HJGD	
COc1cc(NNC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)ccc1Cl	790196025	NJIQSMSWWDWTKE-UHFFFAOYSA-N	405.788	4.571	50	20	HJGD	
Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)C3CCOCC3)cc2[N+](=O)[O-])cc1	794958830	PJNXHFOCLFQZGA-LDADJPATSA-N	408.479	4.957	50	20	HJGD	
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NNc1cccc(F)n1	804767290	GFSJGWQAOYCWOA-UHFFFAOYSA-N	410.399	4.723	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncccc1C(F)(F)F	817013840	FXKSVIHCFJKUSD-UHFFFAOYSA-N	417.231	4.895	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1occc1-c1ccccc1	871219929	IQWNEYYSPDMNAB-UHFFFAOYSA-N	423.428	4.830	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)n1	877464474	JXKCLHYAYYGDAA-MRXNPFEDSA-N	403.530	4.550	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OCC#N)c2)c1C	915741335	ULFRASAXYRQFHW-KGENOOAVSA-N	410.477	4.851	50	20	HJGD	
N#CCCn1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)c2ccccc21	916294818	HUITYBLOKKFWRI-UHFFFAOYSA-N	422.488	4.751	50	20	HJGD	
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NNc2ccccc2C(F)(F)F)c1	918215185	DECMIWXZJQUAMX-ZDUSSCGKSA-N	408.424	4.516	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)cn2)cc1C	918595329	QFZNHBWPBYWJFW-GRSHGNNSSA-N	411.465	4.555	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2csc(-c3ccc(C)cc3)n2)cc1OC	918710544	SVMOOFXIMUERGV-UHFFFAOYSA-N	409.511	4.680	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](c2cccs2)N2CCCC2)c(C)n1CC(C)C	1251213476	YYRDLWZVRBDKHP-MUIAGPEESA-N	424.614	4.683	50	20	HJGD	
CC(C)n1ncc2c1[C@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)CCC2	1321195290	VZGVJKXYDJFAFI-CQSZACIVSA-N	400.285	4.614	50	20	HJGD	
C/C(=C\c1cccs1)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1785819460	VENHSLKWNCQYBV-UJGDBWEASA-N	406.910	4.820	50	20	HJGD	
CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)[C@H](C)CBr)CCC2)cc1	1786255485	NGBQWSJTGASJJG-LSDHHAIUSA-N	409.368	4.588	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccccn3)CCC2)cc1	1786446035	FLVDFYJYOUFCQW-VQIMIIECSA-N	413.949	4.727	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H]3C)CCC2)cc1	1791359730	WLKTWHSDDNFMJW-WBAXXEDZSA-N	421.379	4.730	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccon1	1795303210	QFAXORBGEMFUMH-REPLKXPHSA-N	423.985	4.676	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(Cl)c2)n[nH]1	1823192079	NCGUUEDTZZERPO-WBVHZDCISA-N	423.344	4.695	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2F)CC1	1824616117	RVZJIQMWKVSMDO-TZIWHRDSSA-N	422.972	4.775	50	20	HJGD	
O=C(c1cccc2ccccc12)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)Cl)CC1	1827612589	FNZCGXQBTSITMY-LEWJYISDSA-N	416.924	4.608	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccccc1	6410524	IKNXPWKIYAYIRD-KMHUVPDISA-N	408.351	4.674	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)c3nc4ccccc4n3C)c2)cc1	6953602	UFVYHXGZQOAEAX-XMHGGMMESA-N	408.461	4.898	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	7156229	NXCDIPYHLKDPMY-XNTDXEJSSA-N	412.827	4.717	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccnc1	7158092	CVAQKPCSMMRBID-TWKCPADZSA-N	411.509	4.536	50	20	HJGD	
N#C/C(=C\c1cc2c(cc1Br)OCO2)c1nc2ccccc2n1C(F)F	23612441	SLOASIJIRXTZQP-VZUCSPMQSA-N	418.197	4.987	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3cccc(OC)c3)n2)cc1	301397717	AHAQHFOEWVTGCK-LFIBNONCSA-N	405.479	4.763	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@@H](Cc1ccccc1)c1cccs1	735189216	URVABTPXJJQJAJ-KRWDZBQOSA-N	403.454	4.960	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2ccccn2)c(C)n1-c1ccc(F)cc1	743656084	YEENPRBSRZIMOT-OFBHVFLISA-N	402.473	4.755	50	20	HJGD	
CSc1cccc([C@@H](NC(=O)NNC(=O)OC(C)(C)C)c2cc(F)ccc2F)c1	745904015	OXFWYSNMQSKUIJ-QGZVFWFLSA-N	423.485	4.515	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2oc3ccccc3c2COc2ccccc2)n1	748333261	CLFPVRVSVWSNNE-UHFFFAOYSA-N	408.845	4.521	50	20	HJGD	
COc1cc(C)c(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1OC	751447917	UAIZOBKKEOEBIT-PXNMLYILSA-N	406.404	4.783	50	20	HJGD	
O=C(NN=C1CCC2(CCOCC2)CC1)c1cc(-c2ccncc2)nc2ccccc12	751515992	IUOFAEYALXGJGZ-UHFFFAOYSA-N	414.509	4.753	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(OC)c(OC4CCCC4)c3)c(C)cc2c1	752757806	JGIZYYSUGRSRIZ-UHFFFAOYSA-N	421.497	4.639	50	20	HJGD	
Cc1c(Br)cc(C(=O)NNc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]	753655924	HQZIKUOWKBGEEI-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	753791864	RIXDCHNFNWTLFE-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1ccccc1-c1cc(F)c(F)c(F)c1	756854980	HYAYKVLUSQTSQW-UHFFFAOYSA-N	424.382	4.719	50	20	HJGD	
COc1ccccc1SCC(=O)NN=Cc1cc(C(F)(F)F)ccc1Cl	761275061	ZAYRYJDSILHQBN-UHFFFAOYSA-N	402.825	4.610	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)cnn1Cc1ccccc1	761590055	ADCVERVVNDGJKK-UHFFFAOYSA-N	418.419	4.539	50	20	HJGD	
C[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NCc1ccco1	762974578	JUEOLHKVDLECEW-JTQLQIEISA-N	413.368	4.763	50	20	HJGD	
CCCc1c(C(=O)NNc2c(Cl)cccc2Cl)cnn1Cc1ccccc1	763613575	ZONNGAAZLSTVHX-UHFFFAOYSA-N	403.313	4.948	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1nn(-c2ccccc2Cl)cc1C	767093157	IQUSZYIOAOXBHP-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OC)c1	768483323	KNPOWNIEWJAGTP-RIYZIHGNSA-N	415.287	4.629	50	20	HJGD	
O=C(NNc1c(F)cccc1F)Nc1ccc(N2CCc3sccc3C2)cc1	775582169	NVNUAORHFDXGOE-UHFFFAOYSA-N	400.454	4.738	50	20	HJGD	
CSc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	775970268	ACKKZLWVNJASCW-FJZBCQJGSA-N	409.555	4.860	50	20	HJGD	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NNC(=O)C(C)C	782576482	DGQLQZUWKKGCSL-UHFFFAOYSA-N	411.481	4.540	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](CC)c2ccccc2)ccc1OC(F)F	787145729	SBXMCBQTMNLYSV-XUDLPTGHSA-N	400.425	4.861	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F	787424976	NBZCUVNTSZNIBU-WZUFQYTHSA-N	413.207	4.524	50	20	HJGD	
O=C(Cc1csc2ccc(Br)cc12)NNc1cccc2cnccc12	792267293	RMVDVVLWGJOWQI-UHFFFAOYSA-N	412.312	4.898	50	20	HJGD	
COc1cc(C)ccc1Oc1ccc(NC(=O)NNc2ncccc2F)cc1F	806230300	HHDGTBBONIQESM-UHFFFAOYSA-N	400.385	4.618	50	20	HJGD	
C[C@@H](CC(=O)NNc1ncccc1C(F)(F)F)c1ccc(F)c(Br)c1	812516737	VVKYQXRGOCFDGQ-VIFPVBQESA-N	420.204	4.639	50	20	HJGD	
COCC1(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCC1	815054916	OVQSWOQZTLSLCL-UHFFFAOYSA-N	409.442	4.829	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1C	844146817	QNZXHOYCLWIPLY-CKQFRUEKSA-N	409.505	4.722	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)c1cc(C)ccc1C	914524931	SDDMEMXOAZBVOI-SINAZASISA-N	405.542	4.861	50	20	HJGD	
CCN(CC)Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)c1	914840843	HYGBBIJPVWRNTF-IXOWOOARSA-N	422.573	4.700	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(C(C)C)no2)c(C)n1-c1ccc(F)cc1	914893706	VMAHWCSMTXNIQK-CJMVGXJBSA-N	422.460	4.951	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(/C#N)c1nc(-c2ccccc2)no1	915986208	ZVRFPMHBGRIPEZ-YBEGLDIGSA-N	403.392	4.882	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)c3ccsc3)cc2OC)o1	915989270	BPDMHKPWSHKUEE-CXUHLZMHSA-N	423.446	4.505	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1	916628085	LFNQOSXSKCDJLN-MRXNPFEDSA-N	407.901	4.505	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)oc2ccccc12	918002125	RQWIQNUPJWONNN-TZMCWYRMSA-N	411.527	4.633	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCN(C(C)(C)C)CC3)c2C)c1	919850761	CUHPLOCDDYBVQX-JWGURIENSA-N	418.585	4.689	50	20	HJGD	
Cn1c(/C(C#N)=C/c2cc(Br)c3c(c2)OCCCO3)nc2ccccc21	921259452	SWFKNNYJMIHMCE-NTEUORMPSA-N	410.271	4.561	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccncc2)c(C)n1-c1cccc(C(F)(F)F)c1	1318065539	HXTMARGKZOHKSN-YBFXNURJSA-N	424.426	4.731	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CO[Si](C)(C)C)cc2)CCC1	1789647968	WLWOFJVWNJYKJW-HXUWFJFHSA-N	414.622	4.740	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)c(C)c2)n[nH]1	1820535862	UOVRAJSOXJKWEU-MJGOQNOKSA-N	416.953	4.740	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(C)c2C)CC1	1830305323	NYGQPNQSAWNKCJ-RBUKOAKNSA-N	411.011	4.616	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	7598335	PGZJMROKITYFRV-CPNJWEJPSA-N	416.456	4.737	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(F)ccc2F)c1C	22216728	MKFXNTQGSBKHTB-LICLKQGHSA-N	400.425	4.516	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cnn(Cc3ccccc3)c2)c(C)n1CC(F)(F)F	212639061	AQTDTGLQKONVRE-OCKHKDLRSA-N	412.415	4.702	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1csc(-c2c(F)cccc2F)n1	726190332	PJNIKKXSKSJQME-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	727793558	QPDYVWGQYSNMDK-UHFFFAOYSA-N	410.260	4.607	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@@H](N2CCCCC2)C1	730897609	OFYVPYRRAJNWAQ-CJNGLKHVSA-N	421.916	4.998	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](Cc1ccccc1)c1cccs1)c1ccccc1	735188268	DCCNCMIHQHNDCL-UXHICEINSA-N	407.539	4.556	50	20	HJGD	
Cc1cc(NNC(=O)c2cc3sc(Nc4ccccc4C)nc3s2)nc(C)n1	736718495	KECJYGKURHFEHT-UHFFFAOYSA-N	410.528	4.574	50	20	HJGD	
Cc1cc(NNC(=O)c2nc(-c3ccccc3F)oc2C)ccc1Br	738541957	XFDKPZLIOMVMPU-UHFFFAOYSA-N	404.239	4.617	50	20	HJGD	
O=C(NNC(=S)Nc1cc(Cl)cc(Cl)c1)Nc1ccc(OC(F)F)cc1	741855897	DDJRAJUVKOJIPC-UHFFFAOYSA-N	421.256	4.618	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	745844156	OGHPRRMZLPZCKA-ODFZLOHPSA-N	409.493	4.638	50	20	HJGD	
O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NNc1cccc(F)c1	748091329	QTWKQNFGSDIHEA-UHFFFAOYSA-N	403.413	4.510	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)c1	748359777	VCLCAJUFJDSKDF-UHFFFAOYSA-N	417.538	4.839	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CCc2ccncc2)c(C)n1-c1ccc(Cl)cc1	748727199	CKBBYRVMMQLIDE-RCCKNPSSSA-N	418.928	4.751	50	20	HJGD	
Cc1nc(-c2ccc(CNC(=O)NNc3ccccc3C(F)(F)F)cc2)cs1	749207458	CUHPVXOSKKDECI-UHFFFAOYSA-N	406.433	4.964	50	20	HJGD	
Cc1nc(-c2ccc([C@@H](C)NC(=O)NNC(=O)c3cc4ccccc4o3)cc2)cs1	749552581	PFJFWVKFJDKZPY-CYBMUJFWSA-N	420.494	4.570	50	20	HJGD	
CN(Cc1ccccc1)Cc1cccc(C(=O)NNc2ccc(C#N)c(Cl)c2)c1	753306664	SFQOYDYWIOFPAA-UHFFFAOYSA-N	404.901	4.601	50	20	HJGD	
Cc1ccc(-c2ncc(C(=O)NNc3ccc(-c4ccccc4)nn3)s2)c(C)c1	754471015	QREJOGHGRRYJSG-UHFFFAOYSA-N	401.495	4.641	50	20	HJGD	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)c1cccc2ccccc12	756489515	PVPLAPOHCGPQQS-HNNXBMFYSA-N	404.495	4.701	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2F)c1C	760158487	JWVPCFSICNBUDM-ADFUCPMPSA-N	400.425	4.515	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc(F)ccc1Br	761249857	LLEUMCLERFNRDA-UHFFFAOYSA-N	418.291	4.784	50	20	HJGD	
CS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762528731	NRTALGGMBMOBQB-UHFFFAOYSA-N	401.378	5.000	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1sccc1Br	764897427	ZEABFOKHQLKYAN-LBPRGKRZSA-N	403.301	4.581	50	20	HJGD	
COc1ccc(N(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)nc1	766518208	MDYBUDGPTRFCMA-UHFFFAOYSA-N	404.382	4.573	50	20	HJGD	
C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	767247032	NIILUKYJWJOEFM-UHFFFAOYSA-N	417.343	4.920	50	20	HJGD	
CCc1cc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)nc(C)n1	777684388	IPNVVTZYSIYUKC-UHFFFAOYSA-N	403.398	4.806	50	20	HJGD	
O=S(=O)(N[C@H]1COc2ccccc2C1)c1cccc(S(F)(F)(F)(F)F)c1	777879207	FMGUVQZKFCJSED-GFCCVEGCSA-N	415.405	4.626	50	20	HJGD	
O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(S(F)(F)(F)(F)F)cc1	782988404	SLFYYDPRLJRBJI-MCIONIFRSA-N	419.437	4.580	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nnc(C3CC3)n2C2CC2)c(C)n1CCC(C)C	783115624	NFGZBDALRXRIKO-UDWIEESQSA-N	421.545	4.605	50	20	HJGD	
O=C(CCCC(F)(F)F)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783465217	LDTLGZPIZRFFBK-UHFFFAOYSA-N	421.331	4.882	50	20	HJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1OCC	787156367	YUHBVDYSQVUQAP-HDAKKWKLSA-N	408.498	4.667	50	20	HJGD	
Cc1cccc(NNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1	787992184	XMKYDLOADVBKLJ-UHFFFAOYSA-N	405.285	4.818	50	20	HJGD	
COc1cc(NNC(=O)Nc2cc(F)cc(F)c2Br)ccc1Cl	788682336	NOWNKCCWMGOOOR-UHFFFAOYSA-N	406.614	4.538	50	20	HJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2F)o1)C(=O)Nc1ccc2c(c1)OCCO2	790098377	ADHYPTPKIHTNPJ-RAXLEYEMSA-N	408.360	4.542	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)cnn1-c1ccccc1Cl	790804830	SJLGKVVIKVETRK-UHFFFAOYSA-N	408.811	4.864	50	20	HJGD	
COCCC[C@H](CNC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccc(Cl)cc1	804128148	TZVRVMUWDIFTMY-UIMCMNAESA-N	400.881	4.713	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1	806466228	SZOLQFPUHPLZAJ-UHFFFAOYSA-N	415.356	4.517	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@@H]1CCc2ccc(-c3ccccc3)cc21	807151739	NXNDYWOEEVESOR-HSZRJFAPSA-N	410.477	4.509	50	20	HJGD	
CCc1nc(C)c(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)o1	813765670	GPMFRKILFDHJHO-UHFFFAOYSA-N	406.398	4.681	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-]	817014885	CKCPHILMVRQYKD-UHFFFAOYSA-N	407.270	4.698	50	20	HJGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	913453956	YFIFUYPBXMABSL-DCAQKATOSA-N	405.873	4.503	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccccc2F)c(C)n1C[C@@H]1CCCO1	914481686	TUDCWQRLQSXOHQ-VBNXPOJISA-N	409.505	4.550	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccc(F)c(F)c1	914516334	JLHMGENXBFITGU-OLROSQPISA-N	413.468	4.522	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(C)n1CC(C)C	914542354	UCOAOIACQJUFNM-JIOFHBDDSA-N	419.569	4.640	50	20	HJGD	
CCN(CC)C(=O)c1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	915315020	DAAIAXZGMZFIAR-UHFFFAOYSA-N	416.525	4.912	50	20	HJGD	
N#C/C(=C/c1ccccc1Br)C(=O)Nc1nc2ccccc2nc1Cl	915852178	LIMPJSUMNLBVAH-XFXZXTDPSA-N	413.662	4.591	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(NC(=O)CCC)cc2)c1C	916070180	CIQBYNRIHONHSJ-PXLXIMEGSA-N	420.557	4.867	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@H](CCc1ccccc1)c1ccccc1	918231378	HIZOYKWYWWSJOE-HXUWFJFHSA-N	419.550	4.555	50	20	HJGD	
C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](Cl)CCC)cc2)CCC1	1786442761	PHPQNSCWRZMZMW-IBGZPJMESA-N	406.954	4.511	50	20	HJGD	
Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)[C@](C)(Cl)CCl)CCC2)cc1	1788692748	VUJGIIKZAACEFZ-LJQANCHMSA-N	409.313	4.572	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)c3ccc(C)cc3)CC2)C1	1806162773	URJZQOXLTGLWTP-CTNGQTDRSA-N	419.009	4.737	50	20	HJGD	
CCC(CC)(CNC(=O)NNC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1	725877590	ZKIPAMKVNFSYRF-UHFFFAOYSA-N	424.932	4.590	50	20	HJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1	726427985	CELVDERRRRBKCE-DORSJAEJSA-N	407.466	4.583	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(C(F)F)cc1	726523298	IHYLDKZMTDZEAV-UHFFFAOYSA-N	407.376	4.507	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cc3sc4ccccc4c3s2)c1	727501385	TUEQRPZCFZVVNX-UHFFFAOYSA-N	407.545	4.729	50	20	HJGD	
N#C/C(=C/c1cccc(OC(F)(F)F)c1)C(=O)Nc1nc2ccccc2nc1Cl	727976005	KIWVZNUYRJOHPD-WQLSENKSSA-N	418.762	4.727	50	20	HJGD	
C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	728891207	MUIBNJBJHXQSHM-DOTOQJQBSA-N	414.587	4.884	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)C2CCC2)c(C)n1C[C@@H]1CCCO1	729658019	UALJCUSSMGEEEJ-SMZUASBWSA-N	417.553	4.849	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCOc2ccccc2C(C)C)c1C	732031851	IYFYLQHLYJEVNT-MAGMUUGSSA-N	423.557	4.538	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1OCC	746711436	YAPZQHCGNAWSGZ-UHFFFAOYSA-N	402.800	4.702	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1	746822336	ZJDIZSHVDSRUQK-UHFFFAOYSA-N	420.469	4.574	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ncc(C(C)(C)C)o2)c1C	747674271	PZXKHWVHASWJDD-PIYNUSRVSA-N	413.518	4.809	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccc(F)cc3C)c2)cc1	748570973	QSUFKZQRDUCIBJ-UHFFFAOYSA-N	420.484	4.992	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H](c1ccccc1)N1CCOC1=O	748672357	FRXMEUBQCREAEE-HXUWFJFHSA-N	423.538	4.907	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@H](Oc1ccccc1)c1ccccc1	748703672	YGOZEAGMUMCRMW-HXUWFJFHSA-N	416.399	4.891	50	20	HJGD	
Cc1cc(CNC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c2[nH]c(C)c(C)c2c1	749014392	BJIPNOWFRWKDED-UHFFFAOYSA-N	419.312	4.544	50	20	HJGD	
CCC(CC)CN(CC)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	751330193	DVKOVYVWPVVWLT-QNGOZBTKSA-N	403.530	4.655	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1ccc(-c2nnc(C)o2)cc1	752673464	KAJCGKQFVVHXLN-UHFFFAOYSA-N	416.279	4.519	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(Cn2cncn2)CC1	752974260	AQXHIMSBVJLCQD-UHFFFAOYSA-N	411.400	4.880	50	20	HJGD	
Cc1cccc(-c2n[nH]cc2C=NNC(=O)COc2ccccc2-c2ccccc2)c1	755505109	AKYSURRORNPXBW-UHFFFAOYSA-N	410.477	4.581	50	20	HJGD	
Cc1nc(-c2cccc(NC(=O)NNC(=O)c3c(Cl)cccc3Cl)c2)oc1C	756194932	SZNNOLASSZXDCR-UHFFFAOYSA-N	419.268	4.732	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccccc1	756446624	SXSRQDHRUAQSGD-HNNXBMFYSA-N	415.362	4.687	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC)c(O)c2Br)c1C	761015791	QWHVRCZTMSDXDW-XNTDXEJSSA-N	415.287	4.558	50	20	HJGD	
C[C@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1cccc(O)c1	762678436	RRTWTXBWBMAIIP-JTQLQIEISA-N	410.364	4.866	50	20	HJGD	
CC(Cc1ccncc1)=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	767747007	PZTZUELFIVEEGL-UHFFFAOYSA-N	415.522	4.599	50	20	HJGD	
CC[C@@H](C)n1nc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1C	778015039	XQJQACNQSNSORU-MRVPVSSYSA-N	420.138	4.989	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1	780802004	BKSUTKWUDGZTDP-UHFFFAOYSA-N	422.550	4.715	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc2[nH]c3ccccc3c(=O)c2c1	781893166	GVDGPCGGQAAGQO-UHFFFAOYSA-N	414.852	4.640	50	20	HJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NNc2ccccc2F)cc1	782703063	PAIBKPJUMKQEQS-OAHLLOKOSA-N	409.486	4.761	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)s1	800792040	ZGTACNHLILYBAC-QPEQYQDCSA-N	412.902	4.665	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	811626471	JQJWKMSREXMXRG-GHXNOFRVSA-N	406.225	4.846	50	20	HJGD	
O=C(CNc1ccccc1)NN=Cc1sc(Sc2ccccc2)nc1Cl	814711780	WBDFZWVIKUNZOT-UHFFFAOYSA-N	402.932	4.510	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(Br)cn2C(C)C)c(C(F)(F)F)c1	816701746	IYSFLKOVFWVZHC-UHFFFAOYSA-N	420.229	4.616	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc3ccccc3c2)c(C)n1C[C@H]1CCCO1	912574596	LLADDQAANNEWGU-LYRGBEMXSA-N	400.478	4.950	50	20	HJGD	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCC[C@@H]2CCSS2)cc1Cl	916939938	JFURBUNDTZLCIM-KGLIPLIRSA-N	412.964	4.710	50	20	HJGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(Oc2cc(F)cc(F)c2)cc1	921265325	DLMLPRSINYFRIR-YVLHZVERSA-N	400.425	4.595	50	20	HJGD	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNc1cncc(Br)c1	1320284796	DYIWFAJUVJBYBT-UITAMQMPSA-N	401.091	4.698	50	20	HJGD	
COc1cccc2cc(CNC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)oc12	1326043616	NZCYIQQNRFTZJD-JMIUGGIZSA-N	405.498	4.739	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)ccc2F)[nH]n1	1815322617	UCIRQELLZZRUDM-MAUKXSAKSA-N	420.916	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2C)CC1	1824615215	CHBLCRJEARUHIB-YADHBBJMSA-N	419.009	4.944	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1	1830011054	SRWFTWMYEYOZPS-SFTDATJTSA-N	404.982	4.554	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=S)Nc1cccc(Cl)c1	15756247	SMBRJGPOMDEWOW-UHFFFAOYSA-N	420.922	4.542	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1	726984411	QWLGRQDLYQXOAI-SFHVURJKSA-N	416.616	4.892	50	20	HJGD	
CC[C@](C)(NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccccc1	730762138	VAWOSYAIKJRWSA-WSHFDRKKSA-N	405.542	4.633	50	20	HJGD	
CC(C)(C)n1cc(/C=C(/C#N)C(=O)Nc2nccs2)c(-c2ccccc2Cl)n1	731155787	SVBGRITWZBETEO-RAXLEYEMSA-N	411.918	4.961	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3C#N)c2)c1	731320187	WPSDDKUQWPNJIX-MTJSOVHGSA-N	409.445	4.692	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC2(Sc3ccccc3)CC2)c1C	731594557	KEPDVFZOPBXQKG-LANLRWRYSA-N	423.582	4.660	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1ccccc1OCc1cn2ccccc2n1)c1ccccc1	731930590	DKDFNGPNHGKLNI-QFIPXVFZSA-N	412.493	4.557	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc([S@](C)=O)c3)c2C)c1	732123335	XCZCLGHEYTXDIY-NQDPKESOSA-N	417.534	4.686	50	20	HJGD	
C[C@H]1CCC[C@@H](N2CCC(=NNC(=O)c3ccc(COc4ccccc4)o3)CC2)C1	733744819	SESOZLTWBMFGQK-AZUAARDMSA-N	409.530	4.619	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(CN2CCCCC2)cc1	733808405	YAEBMFHSIQYDOQ-UHFFFAOYSA-N	422.754	4.845	50	20	HJGD	
CC[C@@H]1c2ccccc2CCN1C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	733943423	TXHZNCYUCSEIMI-PUDWNGSMSA-N	405.542	4.755	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@](C)(O)c2ccccc2)c(C)n1C1CCCCC1	734017906	SQFYVNXQJFGMIF-KQQLFIIESA-N	405.542	4.541	50	20	HJGD	
O=C(CCC(F)(F)F)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	743289490	WXVQGQGTSOBWGI-UHFFFAOYSA-N	421.806	4.659	50	20	HJGD	
O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NNc1ccc(Br)nc1	743404606	AQFNWMIFEQGOTB-GOSISDBHSA-N	410.315	4.704	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c(C)c1	743764898	UGEVVDNVHBWSJT-UHFFFAOYSA-N	402.420	4.882	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(N2CCc3ccccc3C2)CC1	743989633	UBHRMNDQPZSLCE-OAQYLSRUSA-N	404.645	4.750	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cc3ccccc3o2)c1C	746560043	JTVKHJSEDBTLRO-RYFGYPJOSA-N	405.498	4.624	50	20	HJGD	
C[C@H](Nc1ccc(C(=O)NNc2ccccc2Cl)cc1[N+](=O)[O-])c1ccccn1	748307219	VFOZZZRVNWKCDM-ZDUSSCGKSA-N	411.849	4.573	50	20	HJGD	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NNc1ccc(OC(F)F)cc1	748650906	WQBPEWKWYJHFCW-JTQLQIEISA-N	417.225	4.512	50	20	HJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2cccc([N+](=O)[O-])c2C)cs1	748684316	ABUTUBAYBMUDKE-UHFFFAOYSA-N	414.512	4.717	50	20	HJGD	
CCc1ccc(C(=O)Nc2sccc2C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1	748693560	OJPWYCYHYTVCRY-UHFFFAOYSA-N	424.482	4.536	50	20	HJGD	
CC(C)[C@@H](CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccnc1	751611151	BDELTIBHAKMBIM-JOCHJYFZSA-N	417.513	4.524	50	20	HJGD	
CC[C@@H](Cc1cccc(Br)c1)C(=O)NNc1nc(C(F)(F)F)cs1	755858288	QXWAEGYDKWGMHL-JTQLQIEISA-N	422.270	4.636	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1)c1ccccc1	760457503	XNADCMJGBOITGR-HSZRJFAPSA-N	416.477	4.636	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1Cl	761996844	RJUSOEIPIIUYOZ-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
CCC(C)=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1	764762179	MDCSSIVAEKIILZ-UHFFFAOYSA-N	416.597	4.978	50	20	HJGD	
O=C(O)c1ccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c(F)c1	766570942	PMNSMDUCKFGZHT-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Br)c1)c1ccccc1	768268261	GAXULDKCJBNQAE-CDCQXCROSA-N	421.241	4.835	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-c2ccc(OC(F)F)cc2)s1	768514741	JWFPIYPRSGHLKP-UHFFFAOYSA-N	400.410	4.650	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	769970891	IKCXYLDYBOHWSA-UHFFFAOYSA-N	413.692	4.688	50	20	HJGD	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)NNc2ccc(F)c(F)c2F)s1	770025542	RNOZDWRQBAZZKE-NSHDSACASA-N	407.421	4.646	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc1	771715891	KKBKGDQVTFYTIV-KXDHCOOGSA-N	419.308	4.537	50	20	HJGD	
CCN(Cc1ccncc1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773602263	JJTNFASMEXKZCI-UHFFFAOYSA-N	409.380	4.726	50	20	HJGD	
C[C@@H]1CCCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1	775172994	WHYZJDPUQPPDHG-MCRQTXEHSA-N	421.932	4.673	50	20	HJGD	
Cc1cc(C(=O)NNc2ncc(Cl)cc2Cl)ccc1NC(=O)OC(C)(C)C	775271083	ASTYUHCJZKYKSB-UHFFFAOYSA-N	411.289	4.801	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNc3ncc(Cl)cc3Cl)cn2)cc1	775503035	AFHKVNZKJDEZRY-UHFFFAOYSA-N	415.240	4.596	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1cccc(OCc2cccnc2)c1	775523293	HOXPCYGVIYBRNY-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2cccc(Br)c2)s1	775882179	OATMIFNDSFAGBT-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NNc2ccccn2)cc1	777472351	CDYVPGDHDFEBIA-FBMGVBCBSA-N	422.488	4.882	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(-c2ccccn2)nc2ccccc12	777477604	RHFFGYGEOYMTLD-UHFFFAOYSA-N	405.461	4.910	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H]1C1CCOCC1	778058293	LVSKSDFOYYBRCJ-HNNXBMFYSA-N	421.453	4.924	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1	780804015	XUXPTKFKWPFMRX-UHFFFAOYSA-N	422.550	4.715	50	20	HJGD	
N#C/C(=C/c1cnc2ccc(Br)cn12)C(=O)c1cccc(C(F)(F)F)c1	782369750	NUVYSUNPMMKVKD-GHXNOFRVSA-N	420.188	4.905	50	20	HJGD	
O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)NN(c1ccccc1)c1ccccc1	782822026	XWTIZFWFOHRNAD-UHFFFAOYSA-N	413.399	4.599	50	20	HJGD	
COc1ccc(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	782973506	IKKOKTUYGPGGEY-UHFFFAOYSA-N	417.421	4.874	50	20	HJGD	
CN(C)[C@@H](CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccco1	782978712	COQRKXWWEKGROU-ZDUSSCGKSA-N	420.425	4.518	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1OC	787144639	KIALRRINWIVLGC-IGVUGNCQSA-N	405.281	4.795	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1	787457411	FFHYQVOEEZODKG-PTNGSMBKSA-N	413.458	4.920	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccnc(Oc2ccc(F)cc2F)c1	790013273	AUBVMPVZFURVQG-UHFFFAOYSA-N	406.392	4.766	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccccn1	790440003	SARRRGQGKORVNE-IBGZPJMESA-N	417.296	4.813	50	20	HJGD	
Cc1cccnc1NNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1	791220147	BRNXYMBZAINNEC-UHFFFAOYSA-N	411.918	4.568	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl	792368585	XXEKWAPPTCJPPP-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/C(C)=C\c2ccccc2OC(F)F)cc1OC	811685958	IPFCRHCQLRRMSI-DGIOSINNSA-N	414.408	4.797	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1Cl)c1cc2c(s1)SCC(=O)N2	814995464	BOCBIWNAEICTQR-UHFFFAOYSA-N	415.327	4.645	50	20	HJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1ccc(Br)c(F)c1	816164507	ZDLABHYXFIVIJT-UHFFFAOYSA-N	416.088	4.724	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](O)CC2)c(C)n1-c1cccc2ccccc12	819323817	GLFMSDVYWOYIPL-GTRUEHEQSA-N	413.521	4.528	50	20	HJGD	
COc1ccc(OC)c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c1	912722265	SKZXYXUEVWTRKX-PDGQHHTCSA-N	419.456	4.796	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)c1cccc(Cl)c1	916278992	IHSNSQXUXDLYSM-UHFFFAOYSA-N	407.688	4.905	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(N)cc1	916542019	QMCLAVGUSLWBAJ-UHFFFAOYSA-N	415.522	4.591	50	20	HJGD	
C=CCN(Cc1ccccc1F)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	918171231	VIJPGOZIEAHZFS-MNOULKQQSA-N	409.505	4.573	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	918679391	UQLJBTDCOBBNJV-LSDHHAIUSA-N	401.498	4.716	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2=O)cc1	920986256	WWGONFWIXDRQAA-GFCCVEGCSA-N	407.301	4.508	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(-c3cccnc3)no2)c1C	923147931	WFGPSJGYQDBNDZ-BRLDDBHUSA-N	419.485	4.561	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CCc2ccccc2)C(C)C)c1C	1115834753	QVNCFWREQUEHTH-FBTHGLLTSA-N	407.558	4.699	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1c[nH]nc1-c1ccc(Cl)cc1	1317716652	JWOCSLIAKXUINT-HNNXBMFYSA-N	418.884	4.801	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)c1C	1337490138	ZJSQVSRCIMOUPA-WCCCRJGXSA-N	407.562	4.783	50	20	HJGD	
C[C@@H](CBr)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1	1786069769	FRHAKOYNUUXTAH-AWEZNQCLSA-N	409.368	4.588	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1sccc1Cl	1789900403	OMCISYFSJAFQTQ-CQSZACIVSA-N	401.290	4.684	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cnc(C)s3)cc2)CCC1	1791958850	MAXNTKWEJJTMDB-QZEKMECESA-N	417.962	4.616	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(F)c2)n[nH]1	1821059951	RUJKEFSFVTYLDS-FUHWJXTLSA-N	420.916	4.571	50	20	HJGD	
CC(C)Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)cc1	1827615594	QVMFRHMACYSCNU-SFTDATJTSA-N	422.972	4.653	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1	21190457	OUQCJSZOYAYXPX-LDADJPATSA-N	420.900	4.756	50	20	HJGD	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792379	RLXPDFSAHHPUAB-ZDUSSCGKSA-N	409.313	4.654	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)c1cccc(C(F)(F)F)c1	727844531	XCYPGEWTRTYTMJ-HXUWFJFHSA-N	421.463	4.756	50	20	HJGD	
CN1CCC(CCNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	728735055	JDDXBBHUMNQXBC-HNNXBMFYSA-N	409.905	4.759	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(Cl)c2cccnc12	741978330	DQJLDGVKDRPFLT-UHFFFAOYSA-N	412.621	4.686	50	20	HJGD	
CCc1ccc(-c2ccc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)o2)cc1	742626920	CEIVNLXLSYGPED-UHFFFAOYSA-N	403.265	4.891	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)c(C)n1CCC(C)C	742926058	UEAOHLBWERCSJR-BKAYVGFPSA-N	411.550	4.616	50	20	HJGD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)o1	743540876	ADEOIPUZTLWUGY-YWZLYKJASA-N	404.470	4.606	50	20	HJGD	
C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NNC(=O)c1cccc2ccccc12	743576810	JPYZHOMDCCNAGC-CYBMUJFWSA-N	416.308	4.722	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc2c(s1)-c1ccccc1OC2	748717915	JBTMWFKGCVZTPJ-UHFFFAOYSA-N	401.831	4.626	50	20	HJGD	
Cc1cccn2cc(COc3ccccc3C(=O)NNc3cccc4cnccc34)nc12	748763971	PCVQGRFOWWVTKM-UHFFFAOYSA-N	423.476	4.527	50	20	HJGD	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NNc1cc(F)c(F)c(F)c1	748811141	SVRSFNIEZDMEAT-UHFFFAOYSA-N	401.388	4.609	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCC2CCOCC2)c(C)n1-c1cccc2ccccc12	749153416	YZLOOIUALKLCSU-HZHRSRAPSA-N	413.521	4.697	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2csc(CCc3ccccc3)n2)cc1	753441283	VFVDXRIWOPCXTP-CPNJWEJPSA-N	404.491	4.587	50	20	HJGD	
O=C(NC[C@H]1CSCCS1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	756064821	XAMQLCDIIXFAJJ-JOYOIKCWSA-N	416.943	4.876	50	20	HJGD	
Cc1csc(-c2ccc(NC(=O)NNC(=O)c3cccc4ccccc34)cc2)n1	756302093	OKQNIFISAIAWSV-UHFFFAOYSA-N	402.479	4.738	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1csc2ccccc12	766262282	UCJJWWGFEYXPQU-UHFFFAOYSA-N	414.701	4.943	50	20	HJGD	
CN(Cc1ccccc1NC(=O)[C@H](Br)C(C)(C)C)C(=O)OC(C)(C)C	767881758	GBVOGPUHFHTQKP-HNNXBMFYSA-N	413.356	4.802	50	20	HJGD	
CCCCn1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c(C)n1	770240143	GLNPXBSXDCTWRD-UHFFFAOYSA-N	420.138	4.818	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	773162352	KVDPNCPQLPHWEQ-UVTDQMKNSA-N	423.831	4.631	50	20	HJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1	777809778	UXELLCDRBMPSPH-BAOGCXAUSA-N	406.490	4.505	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@H](C2CCOCC2)C1	778021810	GKOGBSOAIIUNPM-ZDUSSCGKSA-N	421.453	4.781	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2ccc(C(C)(C)C)cc2)c(C)n1C[C@H]1CCCO1	780805818	BYRVQDMQEBWFNE-POEBIKTISA-N	420.557	4.632	50	20	HJGD	
Cc1cccc(C(N)=O)c1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782909702	DGSUDFXWVXGEKB-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1ccc(Cl)cc1-c1ccccc1	785874181	IARBPTLMRQFUNA-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
COc1cc(NNC(=O)c2cccc(CN(C)Cc3ccccc3)c2)ccc1Cl	790168511	MKXUSKQZLMEGKC-UHFFFAOYSA-N	409.917	4.738	50	20	HJGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNc1ccc(OCC(F)(F)F)cc1	793710837	QXKQKWSOCICCMA-UHFFFAOYSA-N	405.376	4.656	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cnn(-c2cccc(C)c2)c1C(F)(F)F	799759662	SCFLVWBYOGTHCJ-UHFFFAOYSA-N	402.420	4.827	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H]2C[C@@H](OCc3ccccc3)C2)c1C	802861376	HEQZYIUGNPRGOB-CPFQAALUSA-N	422.525	4.510	50	20	HJGD	
COc1ccc(NC(C)=O)c(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	813419558	PAZJKAIBDMFJEL-UDWIEESQSA-N	422.529	4.664	50	20	HJGD	
O=C(CCSCc1ccccn1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016094	GMJZOIINZPWOSE-UHFFFAOYSA-N	423.382	4.886	50	20	HJGD	
C[C@H](CC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1	913453856	MUTWWWDEXGEECH-LLVKDONJSA-N	415.868	4.870	50	20	HJGD	
COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)c(-c2ccccc2)cc1OC	915270213	BLDZQZGNLXGTHE-UHFFFAOYSA-N	418.493	4.517	50	20	HJGD	
CCOc1cc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)ccc1OC	916285110	RFAQRARAJRLDBG-UHFFFAOYSA-N	415.449	4.666	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccncc2)c(C)n1-c1cccc(Cl)c1	920443432	XRNRBWPPZQKBKU-NDENLUEZSA-N	404.901	4.708	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1	1319390176	VIXXNEBFFKDZJD-UHFFFAOYSA-N	418.384	4.813	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3)CCC2)cc1	1786443365	HNKPUASOQAXYAV-HXUWFJFHSA-N	413.949	4.556	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C)n3)cc2)CCC1	1787073554	HZYFBVNEFAKYDC-KRWDZBQOSA-N	417.912	4.684	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)cc(F)c3)CCC2)cc1	1790486246	UUALQDMVNZDZRO-IBGZPJMESA-N	420.887	4.659	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2ccccc2)CC1	1830315025	UEFJJMLYQUSTMA-NYVOZVTQSA-N	419.009	4.502	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cc(Cl)c(Cl)cc1C)C2	1841670910	DPMYJRBVFKEBCH-CQSZACIVSA-N	417.764	4.526	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CCCC12CN(C(=O)C1(F)CCC1)C2	1845125436	ZICNUOYDEPDBCG-UHFFFAOYSA-N	414.993	4.832	50	20	HJGD	
Cc1sc2nc([C@@H](C)OC(=O)CCCC[C@H]3CCSS3)[nH]c(=O)c2c1C	5755187	ZNZFRWLTGYITHJ-YPMHNXCESA-N	412.602	4.920	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCN(Cc2cccc3cccnc23)CC1	42062828	LONYVAYLGMGJGM-HXUWFJFHSA-N	415.628	4.593	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2ccccc2Br)c1	217164966	VUKZPFORUBPXJQ-WQLSENKSSA-N	423.213	4.605	50	20	HJGD	
CC1(C)CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1	726958361	RYEXKVUBIHKPGA-NBVRZTHBSA-N	421.932	4.673	50	20	HJGD	
CC(C)Sc1ccc([C@@H](C)NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	728957059	NBKPXALZENHGSA-LRYXAPPNSA-N	415.603	4.795	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NNC(=O)c1cccc2ccccc12	741572692	IKINHNBKXGPWCD-UHFFFAOYSA-N	421.909	4.620	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNc3c(F)cc(F)cc3Br)c2)cs1	742709189	YXZXBVWULNPGDP-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1c[nH]cc1-c1ccc(F)cc1	743335139	NTMGOYYTFCDWND-UHFFFAOYSA-N	408.658	4.994	50	20	HJGD	
Cc1cc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)c(OC(F)F)cc1C	743433388	DFUYJOTXUDRJOC-UHFFFAOYSA-N	415.465	4.721	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccccc3C)nn2C)c1C	746409806	YZXLCTNASMWYER-DEDYPNTBSA-N	401.514	4.770	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Oc3cccnn3)c2)c(C)n1CC(C)C	748351094	OVCMYUDCYLBFCP-UDWIEESQSA-N	415.497	4.889	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cnc(-c2ccccc2Cl)s1	748718322	URNAAHGATXIITM-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3cccc(F)c3)CC2)c1C	752400931	JKENAWXKJDMDNF-VLZFXTDASA-N	423.532	4.765	50	20	HJGD	
CO[C@@H](C)c1nc(CNC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cs1	752517249	WABOCQMZRBLJFH-AEUYPJEVSA-N	414.575	4.538	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(C#N)c(Cl)c2)oc2ccc(Br)cc12	753315488	ICBIUBKRYHSBKJ-UHFFFAOYSA-N	404.651	4.786	50	20	HJGD	
Cc1c(-c2ccccc2)oc2c(C(=O)NNc3cccnc3Cl)cccc2c1=O	754487568	INBCMYXBKCCNDV-UHFFFAOYSA-N	405.841	4.574	50	20	HJGD	
O=C(NNC(=O)c1ccccn1)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1	755433321	IDOKICRFMKNKRN-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	757797813	PXNIRUABTXMBHX-YVLXSGLVSA-N	407.889	4.510	50	20	HJGD	
CC1(C)OCc2cc(C=NNC(=O)c3ccc(Br)cc3Cl)ccc2O1	766022970	VOYXPWRHRBYGNG-UHFFFAOYSA-N	423.694	4.512	50	20	HJGD	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NNc1ncccc1Cl	770013944	LSRZLGJUTVUMIH-UHFFFAOYSA-N	407.861	4.643	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)/C(=C\c1ccc(F)cc1)c1cccs1	775249153	FKWCLRMXHXVBDY-GDNBJRDFSA-N	407.392	4.985	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3ccc(C(F)(F)F)cn3)cc2)cs1	775257473	MBMFUTFAPHIPEH-UHFFFAOYSA-N	424.473	4.915	50	20	HJGD	
COc1cc(C(=O)NNc2ncc(Cl)cc2Cl)ccc1OCc1ccccc1	775270766	XPJVLBOUBMRIQV-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc(S(F)(F)(F)(F)F)c1	777587485	JEVPUVUQGQBDET-UHFFFAOYSA-N	417.377	4.916	50	20	HJGD	
COC[C@@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccco1	777984312	SIXJHGAEVOHUHI-GFCCVEGCSA-N	407.382	4.603	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3c(-c4ccccc4Cl)noc3C)c(C)cc2c1	778481158	XYVPYYFKRZEKQZ-UHFFFAOYSA-N	422.872	4.926	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2O[C@H](C)C#N)c(C)n1CCC(C)C	780149579	OTSCXOSMNCTBHR-LZAZYHHXSA-N	404.514	4.988	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNc2ccc(C(C)(C)C)cc2)c1C	780805924	JRNKQXCOSDMLMY-VJOZSWGJSA-N	408.546	4.660	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)C2CCCC2)cs1)c1ccc(F)cc1F	781555337	GXFFXWJGCHEDGC-RIYZIHGNSA-N	401.438	4.772	50	20	HJGD	
O=C(NCCNc1ccccc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	783051637	PLTUUWCEHPNKLP-UHFFFAOYSA-N	409.380	4.511	50	20	HJGD	
Cc1ccc(Nc2ccccc2C(=O)NNC(=O)NCc2ccc(Cl)cc2)cc1	787431731	PRJFACSPDHUCAU-UHFFFAOYSA-N	408.889	4.536	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@@H](Sc1ccccc1)c1ccccc1	788566697	MFEJQLKYYUWZCO-SFHVURJKSA-N	419.535	4.577	50	20	HJGD	
CC(C)(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	791000835	QRKWIXBOLOKBQC-ZDUSSCGKSA-N	416.412	4.556	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1	792298678	MQUFFJGMCNSZMM-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)Nc1ccccc1	801990715	VSRKMOKSPYCIGB-IBGZPJMESA-N	413.449	4.651	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(F)c(C(F)(F)F)cc1F	804467433	BLOWHHORGWBPPO-UHFFFAOYSA-N	400.225	4.639	50	20	HJGD	
Cc1ccc2oc(C(=O)NNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2n1	817014529	MWKOJXQETREOOC-UHFFFAOYSA-N	403.282	4.931	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2Cc3ccccc3-c3ccccc32)c1C	916497303	PVNNJPQLKWJUFN-JCMHNJIXSA-N	411.505	4.872	50	20	HJGD	
CN(C)Cc1cccc(CNC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	916569023	YIMUTOYVVJALLF-UHFFFAOYSA-N	401.725	4.535	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl	917763950	OJLHJMJAQFORQC-WJDWOHSUSA-N	418.324	4.603	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	918100149	NCFHNVZMGSTOJV-KRWDZBQOSA-N	422.703	4.853	50	20	HJGD	
O=C(NN=C/C=C/c1ccco1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	920358406	CXEIIAGUPAHTRV-TWWMWVSZSA-N	402.479	4.877	50	20	HJGD	
COc1cc(Br)c(OC)c(C(=O)NNc2c(Cl)cccc2Cl)c1	1116282567	MZVSUGKTTMJSLS-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
CCCn1nc(-c2nnc(CCCC[C@H]3CCSS3)o2)c2ccccc2c1=O	1261427906	QHTZONCXPCJNJD-AWEZNQCLSA-N	416.572	4.723	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)o1	1318362211	KWWRBJZSPDXYSI-LGMDPLHJSA-N	402.406	4.589	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)nc1	1323773120	YHUKLOXFVVASHV-XDHOZWIPSA-N	405.502	4.509	50	20	HJGD	
C[Si](C)(C)OCC(=O)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1	1787615829	LXTUXSUEVSXWGW-UHFFFAOYSA-N	402.611	4.552	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)on3)CCC2)cc1	1790485550	FNFPXDPJCDJGID-INIZCTEOSA-N	403.910	4.563	50	20	HJGD	
CSc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)cc1	1791735040	BJCASVCPVMKKAV-IBGZPJMESA-N	420.937	4.620	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2C)CC1	1830313767	RWKGZZKMHSZSRU-YADHBBJMSA-N	419.009	4.565	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]2C2CC2)C1	1841274213	ZBZQBMPIWLLPPL-RTWAWAEBSA-N	423.041	4.986	50	20	HJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	6209610	KEKDNJRICOTOSF-GZTJUZNOSA-N	409.442	4.500	50	20	HJGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)NCCc1ccccc1	210578742	WWQUONNUTCACCH-JXAWBTAJSA-N	403.463	4.589	50	20	HJGD	
CCC[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	303209334	QJHYTBXRIOYLKL-JAINMRLISA-N	407.558	4.747	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@H](c1ccccc1)[C@H]1CCCO1	726711709	IMUQKCLMYOQCOF-ZIAGYGMSSA-N	415.708	4.588	50	20	HJGD	
Cc1[nH]c2ccccc2c1CCNC(=O)NNc1nc(Cl)c(Cl)cc1Cl	727034628	QIIGMFKYMQLJBN-UHFFFAOYSA-N	412.708	4.700	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	727846767	XOQYJWAZWSYIIW-QHCPKHFHSA-N	421.928	4.783	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2cccc(OC3CCCC3)c2)c1	728430650	CWCYOYQALVSSNR-UHFFFAOYSA-N	417.303	4.543	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(OC(F)F)c1	728434516	JWCAAJIWIOWEIO-UHFFFAOYSA-N	417.393	4.689	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c2c(c1)C[C@@H](C)O2	728437961	LWPIAYKFHODYIF-LLUUXILJSA-N	403.265	4.871	50	20	HJGD	
C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)[C@H](C)C1	733666759	BUXWAUHQUPKBJQ-RHPZDQPFSA-N	422.900	4.785	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CCc2cccc(F)c2)C2CC2)c1C	733765118	YJXQVTCVFWNIFF-QWQBBLJPSA-N	423.532	4.592	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2	734247464	LPGJHFUIDIYENC-UHFFFAOYSA-N	416.312	4.600	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1C	734255518	DBODRDMESGLOQD-UHFFFAOYSA-N	419.485	4.780	50	20	HJGD	
COC[C@H]1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1	739757788	VEJIMDWHQSWNRM-BTVXTAIASA-N	413.521	4.649	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)cc1	743642662	UQFPKMOMJBOODY-QGZVFWFLSA-N	417.509	4.630	50	20	HJGD	
O=C(/C=C\c1nc2ccccc2s1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743826091	SJSXNLATNALZLM-PFONDFGASA-N	414.490	4.829	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ccc(OCc2cccnc2)cc1	746749546	BZIDJWPGBOJAGN-AWEZNQCLSA-N	414.868	4.840	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(O)c3c(C)c(C)sc3n2)cc1OCCCC#N	747361814	XWWDFMPTCOMLKH-MHWRWJLKSA-N	420.494	4.769	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1	747782465	LLLMCXARPXFRRT-LDIGFBSRSA-N	404.510	4.619	50	20	HJGD	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748702893	BSLHQFVZOOTVPI-LBPRGKRZSA-N	420.353	4.968	50	20	HJGD	
O=C(NCc1nnnn1-c1ccccc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752978053	JIKJKISKSGXENX-UHFFFAOYSA-N	420.367	4.641	50	20	HJGD	
CC(=O)N1CC[C@@H](CN(C)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752986823	MPQNZLYGCJIUEO-LBPRGKRZSA-N	401.401	4.676	50	20	HJGD	
C=CCOc1ccc(/C=C\C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1OC	754143617	PTJVONVYSDPBNS-UITAMQMPSA-N	410.367	4.574	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc2c(c1)nc(O)n2C1CCCC1	754153817	ONBILJFQGBRZSG-UHFFFAOYSA-N	422.382	4.772	50	20	HJGD	
Cc1ccccc1Sc1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)cc1	755198038	JJOLZXPRLWNHPV-UHFFFAOYSA-N	404.417	4.712	50	20	HJGD	
Cc1ccccc1C(NC(=O)NNC(=O)c1cccc2ncccc12)c1ccccc1C	761032112	YHNQCHYAWJXWQX-UHFFFAOYSA-N	424.504	4.585	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2csc(-c3ccco3)n2)c(C)n1CC(C)C	763982223	MNJRQEICVDRSRJ-NVMNQCDNSA-N	408.527	4.701	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)cc1O	776258981	WYLFVFDXMICQMW-SDQBBNPISA-N	424.197	4.555	50	20	HJGD	
Cc1nc(N)c2c(C)c(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)sc2n1	777838579	OLVZWEHXYBFSAW-UHFFFAOYSA-N	416.721	4.607	50	20	HJGD	
Cc1ccccc1-c1cc(C(=O)NNc2cc(Cl)ccn2)c2cnn(C(C)C)c2n1	778450004	OVOAZOLRBWGJEN-UHFFFAOYSA-N	420.904	4.793	50	20	HJGD	
CCOc1ccccc1OCC(=O)NN=Cc1c(Cl)cccc1SC(C)C	786037075	DOCGHUVBHSLIDE-UHFFFAOYSA-N	406.935	4.768	50	20	HJGD	
CC(/C=C(/C#N)C(=O)Nc1ccccc1Br)=C\c1cccc([N+](=O)[O-])c1	787169356	NTXFQTQWMWZNIJ-IJYCUAFPSA-N	412.243	4.849	50	20	HJGD	
CC(C)Cn1ccc2cc(NC(=O)C(=O)NNc3cc(Cl)cc(Cl)c3)ccc21	792435942	ZCHRPOHQCNWMMH-UHFFFAOYSA-N	419.312	4.686	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2c(F)ccc(Br)c2F)cc1	799891835	HBPXOWRYJINCEY-NASPGAHYSA-N	421.241	4.520	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@@H](C1CC1)C(F)(F)F	807546881	RPSVDPKADNUKDJ-JTQLQIEISA-N	412.302	4.740	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2C)c1C	807724995	LVZCBRZSWHPDDV-IZQLPPHKSA-N	409.530	4.625	50	20	HJGD	
Cc1nc(CCCC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1	817015744	PQZVCJAWIJFCTN-UHFFFAOYSA-N	411.371	4.955	50	20	HJGD	
N#Cc1ccc2c(c1)N(C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CC2	821572885	SWVQIECBXKCCES-UHFFFAOYSA-N	417.359	4.743	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)NCCCC2CCCCC2)c(-c2ccccc2)n1	915199896	OGEWQRRVMSTJOL-OQKWZONESA-N	415.541	4.847	50	20	HJGD	
O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(-c2nc3ccccc3s2)o1	916302003	LUTZNJPRAAFWOY-UHFFFAOYSA-N	411.870	4.739	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2oc3ccc(F)cc3c2C)c1C	920351270	XSUVXZJJRLWNOY-VTNJTDAWSA-N	423.488	4.729	50	20	HJGD	
O=C(NN=Cc1csc(C2CC2)n1)c1cn(-c2ccccc2)nc1-c1ccccc1	920360109	MJMAZLXZSQUGMN-UHFFFAOYSA-N	413.506	4.637	50	20	HJGD	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NNC(=O)c1ccccc1Cl	1262219972	BIRMZPBJVPOCST-BENRWUELSA-N	400.862	4.682	50	20	HJGD	
COc1ccccc1OCC(=O)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	1317697477	BCARVDZSUDWISZ-UHFFFAOYSA-N	419.264	4.791	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1	1322590317	GNWVKVSYYBIXEN-UHFFFAOYSA-N	410.905	4.731	50	20	HJGD	
COc1cc(C)c(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)c(C)c1	1788588794	IRTIUBZFGZQKJG-LJQANCHMSA-N	418.896	4.594	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)c(OC)c3)CCC2)cc1	1790489470	DQUTWGDAHQMCFM-IBGZPJMESA-N	414.933	4.769	50	20	HJGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl)[C@H]1C[C@H]1F	1800011561	HMAOYCRAHSBGLW-LJDSDSDDSA-N	414.993	4.732	50	20	HJGD	
CCCCCc1cccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](Cl)CC)c1	1800073082	KUTFWPVEHRRVLW-CIAFKFPVSA-N	419.009	4.617	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C)c2Cl)n[nH]1	1823183905	NZRMKEWYNBFDFE-ZBFHGGJFSA-N	423.344	4.695	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC(F)F)c1	16411594	SLLBTDQPKVAPEK-GZTJUZNOSA-N	400.425	4.967	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cs1	211456071	LYPJXPKUGRATLP-ATVHPVEESA-N	402.479	4.682	50	20	HJGD	
Cc1csc(CC(=O)NN=C2CCCc3nc(-c4ccc(Cl)cc4)sc32)n1	728425455	HBXLRJDCOFRVNO-UHFFFAOYSA-N	416.959	4.628	50	20	HJGD	
O=C(NN=Cc1ccccc1Br)c1ccc(Br)cc1Cl	728782035	AUWIZRMCVFTLLP-UHFFFAOYSA-N	416.500	4.629	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCO[C@@H](c3ccccc3)C2)c(C)n1CC(C)C	729834040	AGENPYLQSZAXKK-JXCKLXDISA-N	405.542	4.658	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1ccccc1	731930706	INHMVBLNMDTPTA-SFHVURJKSA-N	407.426	4.507	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1	733083488	KDHQGYUDWZBABV-NGWPFTMJSA-N	404.451	4.503	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)NNC(=O)c3ccccc3C)s2)cc1	740026519	ZQACNGSTYDASTQ-QGZVFWFLSA-N	422.554	4.783	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2SC)cc1Cl	741165575	OUWPHKSYEZUIDK-QPEQYQDCSA-N	418.902	4.633	50	20	HJGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1	743627809	BSLXHZJNCMIROW-GOSISDBHSA-N	402.498	4.801	50	20	HJGD	
COc1ccc([C@H](C)CCNC(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1	743638546	RBXRMJPRXGVBOV-LLVKDONJSA-N	416.831	4.582	50	20	HJGD	
N#Cc1ccc(NC(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1	743812206	QVRKCVSEQPFNRO-UHFFFAOYSA-N	400.063	4.776	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccc(NC(=O)c2ccc(F)cc2)c1	746698449	GQYFDMWQDHZYQF-UHFFFAOYSA-N	401.800	4.627	50	20	HJGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1cccc(Oc2ccccc2)c1	747983148	RGKXYMXEOMJFTM-UHFFFAOYSA-N	423.476	4.577	50	20	HJGD	
Cc1ccc(NNC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)cc1	749201064	VXXIKYGDZFCSKU-UHFFFAOYSA-N	410.524	4.950	50	20	HJGD	
CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752989174	AGHUVJKWOGNNPG-CQSZACIVSA-N	417.444	4.822	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=CCCCCOc2ccccc2)c1Cl	753956203	VKYHEWPMUHURDZ-UHFFFAOYSA-N	415.708	4.589	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2cccs2)[nH]n1)Nc1ccc2c(c1)oc1ccccc12	755911143	WFBQURONXHIPBU-UHFFFAOYSA-N	417.450	4.504	50	20	HJGD	
O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)NN(Cc1ccccc1)c1ccccc1	758705185	CJIBGPSMYYQILM-VWNXMTODSA-N	419.500	4.967	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc3ccccc3n2Cc2ccccc2F)c1	759322413	PBDVFFFBSBVVST-UHFFFAOYSA-N	407.420	4.733	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1	759323490	ZUCLPUZYNYTWPD-UHFFFAOYSA-N	419.865	4.558	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1CCCc2c[nH]nc21	765872373	PVLUMLRSBVCBCT-FZMZJTMJSA-N	404.845	4.828	50	20	HJGD	
Cc1cc(C)n(-c2ccc(CC(=O)NNc3c(Cl)cc(F)cc3Cl)cc2)n1	767405970	YKBYJROBIFTUMK-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
C[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1cccc(OC(F)(F)F)c1	769973840	JJCONYVLJVOWRY-PSHZPRKYSA-N	406.242	4.716	50	20	HJGD	
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NNc1c(F)cccc1Cl	770203844	UQILLDKFDVEONF-UHFFFAOYSA-N	409.248	4.649	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCC2CCN(C3CC3)CC2)c(C)n1C1CCCCC1	770768449	VYFQVLSNJIPOOW-JCMHNJIXSA-N	408.590	4.508	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)c(-c2ccccc2)n1	788356869	XMOJGQJGFYSRDK-GHRIWEEISA-N	418.403	4.855	50	20	HJGD	
COc1cc(OC)cc(C(=O)NN=CC(c2ccc(F)cc2)c2ccc(F)cc2)c1	799870240	YOWNCXCRWZBJEU-UHFFFAOYSA-N	410.420	4.530	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1ccc2ncccc2c1	801501958	SVDOEJJPWXAJEP-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1nccnc1C1CCC1	805458795	AFMSXTMTFLQLEU-UHFFFAOYSA-N	418.284	4.771	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C2CC[C@H](c3ccccc3)C2)c2ccccc2c1=O	814743400	CDYQWKZQQLGZBT-IBGZPJMESA-N	416.525	4.640	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCn2c1nc1ccccc12	915853584	NZYQWQURJGUVSF-SSZFMOIBSA-N	414.852	4.903	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2OC(C)C)c1C	916081633	VKAIDGBTRNWSQS-PAFYXOFSSA-N	423.557	4.884	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=Cc3ccc(C)o3)c3ccccc3n2)cc1OC	916344736	ZOFRAAVBUHIVJZ-UHFFFAOYSA-N	415.449	4.584	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCc1ccc2ccccc2c1	917392287	YPBKEOIREAHCOY-UHFFFAOYSA-N	415.518	4.666	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)c1oc2ccccc2c1CSc1ccc(F)cc1	921151319	HOEDWMVMMZAZSM-UHFFFAOYSA-N	412.486	4.815	50	20	HJGD	
Cc1sc(-n2cccc2)c(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c1C	1115971983	JCAUAKANZHUWOS-UHFFFAOYSA-N	408.310	4.537	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ncc(C)s3)CCC2)cc1	1786443656	GHHDXGAZQPMQPQ-INIZCTEOSA-N	405.951	4.607	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4[nH]ncc34)cc2)CCC1	1788439520	UYTGYASZMWVWDO-IBGZPJMESA-N	424.932	4.718	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1	1790487293	MFDRNRWSNSILKL-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCCc3cccnc3)CCC2)cc1	1790487783	BQDFCIZAKYKTNR-FQEVSTJZSA-N	413.949	4.556	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1	1790492229	XBWBZGOOELXZCO-HXUWFJFHSA-N	411.373	4.937	50	20	HJGD	
C[C@@H](CBr)C(=O)NC1(c2ccc(NC(=O)C3CC(C)(C)C3)cc2)CCC1	1791645367	AZEWPBUCNNBXST-AWEZNQCLSA-N	421.379	4.588	50	20	HJGD	
Cc1oncc1C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124445	PLKVIAHUERJGIU-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(=O)NC1CCCC1	14178493	IMCUXIGTLDBOBD-ONOODXEBSA-N	406.326	4.524	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OC)c(OCC)c1	16437785	PMXHPQLCQDDWHI-XNTDXEJSSA-N	400.862	4.692	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)CCSc2ccc(OC)cc2)cc1	26773019	CJJLRYVWQLWLSW-UHFFFAOYSA-N	417.600	4.538	50	20	HJGD	
CCC(=O)Nc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	208138180	RKNHAINKIVJSAK-JAIQZWGSSA-N	406.530	4.964	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](O)c2cccc(F)c2)c(C)n1C1CCCCC1	725892455	SNFZFFGGUGFTRI-SNXNUMJZSA-N	409.505	4.506	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)N1CCC[C@H]1C1CCC1	728406231	GZKLEWANLQAOAF-GUYCJALGSA-N	420.884	4.636	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc3ccccc3n2)c1C	729361236	FMOQNAYCYVRUSM-WCEBZYJUSA-N	403.482	4.511	50	20	HJGD	
COc1ccc(NC(=S)NNC(=O)c2sc3cc(C)ccc3c2Cl)cc1F	729690176	ZNVOYPDSEUAZSM-UHFFFAOYSA-N	423.922	4.642	50	20	HJGD	
CC(C)(C)c1nc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cs1	731478266	ISYBFPGSXXJNQD-UHFFFAOYSA-N	422.270	4.979	50	20	HJGD	
COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=NNC(=O)C3CCC3)ccc2c1	731936265	OEUVYSCRXJUASF-UHFFFAOYSA-N	424.504	4.951	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)c1	738561644	WQWBCDNBHYMCHO-LBPRGKRZSA-N	413.440	4.664	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)n1	740086232	WPQDGJKTHPFLQN-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	741893773	UOIHKWBLWRCUBH-VQTJNVASSA-N	413.304	4.640	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(Oc2ccccc2)nc1	741979896	NBJZMJMASBEAFB-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C(F)(F)F	742471024	ZWWNBRDOHQFPGD-LLVKDONJSA-N	416.852	4.592	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2cccnc2)c(C)n1-c1ccc(F)cc1	743723163	NACQSOYOCCHMGH-OJSPLJLUSA-N	402.473	4.755	50	20	HJGD	
CC(C)N(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc(C#N)cc1	746132716	GNNGIBQZFMAEAL-UHFFFAOYSA-N	402.478	4.783	50	20	HJGD	
CC(=NNC(=O)COc1ccc(C(C)(C)C)cc1)c1sc(-c2cccnc2)nc1C	747606959	DRXHEVKAAPZZGC-UHFFFAOYSA-N	422.554	4.730	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)c1	748396458	ZAEUCPFBDQYMLA-UHFFFAOYSA-N	417.538	4.839	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cnn(-c2ccc(Cl)cc2Cl)c1	748656487	VEFOOGBSXRNVJH-UHFFFAOYSA-N	413.211	4.537	50	20	HJGD	
COC(=O)c1cc2c(/C=C(\C#N)C(=O)Nc3c(C)cc(C)cc3C)ccc(OC)c2o1	748995288	ZLLXXEPAEYWBJB-LICLKQGHSA-N	418.449	4.699	50	20	HJGD	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)Nc1cccc2ccsc12	757755655	WRIVFMDMCHCVTB-UHFFFAOYSA-N	407.451	4.540	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2cc1OC(F)F	761335564	UPGWPGPMZSJXMD-UHFFFAOYSA-N	407.760	4.760	50	20	HJGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762978549	APDDYTGQEZNUSE-UHFFFAOYSA-N	406.336	4.682	50	20	HJGD	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)NNc1ccccc1Cl	769971913	WGQJFDOFFTUUIM-UHFFFAOYSA-N	400.910	4.669	50	20	HJGD	
O=C(NNC(=O)c1sc2ccccc2c1Cl)N[C@H](C1CCCC1)C(F)(F)F	775771025	DBQDVVNQFWTZLL-CQSZACIVSA-N	419.856	4.620	50	20	HJGD	
CC(C)(C)Sc1cc(C(=O)NNc2c(F)cc(F)cc2Br)ccn1	778799233	BKBIOWFCFQFBCO-UHFFFAOYSA-N	416.291	4.770	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(-c2ccc(F)c(Cl)c2)nn1	782886209	AVEPEWBWWHOUOG-GHXNOFRVSA-N	416.243	4.567	50	20	HJGD	
CCOc1ncccc1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981110	ZDQFIZGDECUKQO-UHFFFAOYSA-N	418.409	4.616	50	20	HJGD	
COC[C@@H](OC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C)c1nccs1	785542496	DIOLYIXABLMILV-PRWBYUBPSA-N	421.522	4.697	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1	787145226	PCQMXPNUOCDGKZ-ZZODWALSSA-N	418.478	4.893	50	20	HJGD	
CC(C)C(=O)N1CCCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1	788014835	CEMJECFSUARSNN-UHFFFAOYSA-N	404.671	4.899	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3F)co2)c1C	796009318	OOZYARDBRHDEEA-BFERYNQYSA-N	422.460	4.652	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	797668686	XZXGUHXDMXUYCI-UHFFFAOYSA-N	420.416	4.604	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc2ccc(C#N)cc12	814201528	IYPDMYUPJYDBDR-UHFFFAOYSA-N	420.372	4.765	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OCCC(F)(F)F)c(-c2ccc(Cl)cc2)n1	913973976	QSJAFZQSTOTCEQ-UVTDQMKNSA-N	422.794	4.520	50	20	HJGD	
Cc1nc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)sc1SCC#N	916088438	LNUSEYGZYJEIOC-RQZCQDPDSA-N	413.572	4.687	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc3ccccc3n2)ccc1OCc1ccccc1	916243188	ZXCZPIKNIUECFN-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2sc(Nc3ccccc3)nc2Cl)c1	916296161	WDJRKEKFASJFOK-UHFFFAOYSA-N	414.918	4.686	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1C	916727677	FJIORUPIZARDJE-STZFKDTASA-N	424.508	4.770	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3oc(O)nc3c2)c(C)n1-c1ccc(F)cc1	919708291	RQTYMZWZTSCGHG-MHWRWJLKSA-N	416.412	4.626	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc3nn[nH]c3c2)c(C)n1C1CCCCC1	1343428616	GIRYJGDKFQDHLD-XDHOZWIPSA-N	403.486	4.532	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cccc2cccnc12	1788584076	KUODVXUOSDENCO-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
CCOc1ccsc1C(=O)NC1(c2ccc(NC(=O)[C@H](Cl)CC)cc2)CCC1	1790484140	FFBWHNGWHOWIKU-MRXNPFEDSA-N	420.962	4.912	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccsc4[nH]3)CCC2)cc1	1790489754	KOFRGCDVAVVLFY-INIZCTEOSA-N	415.946	4.995	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(C)cc3s1)C2	1793684260	UHNLLYCNAIWJSX-MHORFTMASA-N	418.990	4.869	50	20	HJGD	
CC(C)(C)CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)Cl)[nH]n1	1822116046	UFCMLSGIPNSYKF-CRAIPNDOSA-N	414.953	4.933	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1	1827410086	OFRQOZHHAPNIKZ-SJORKVTESA-N	422.978	4.745	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2Cl)CC1	1829858350	JPWZAURYVIWYGJ-IRXDYDNUSA-N	415.361	4.574	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC	16408739	RIYBJDZFNSRIEJ-MDWZMJQESA-N	419.250	4.541	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2nc(-c3ccc(C(C)C)cc3)no2)cc1	212127457	GIVLAMYDXKBSGJ-MOSHPQCFSA-N	417.465	4.909	50	20	HJGD	
COc1c(CBr)cc(Br)c2ncc(Br)cc12	223068638	BQWHMPSTUBYGNE-UHFFFAOYSA-N	409.903	4.663	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=C3CCC[C@@H]3C)c3ccccc3n2)cc1OC	729143921	NUTDWZOYLMPNKF-HNNXBMFYSA-N	403.482	4.825	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNc3nc(-c4cccnc4)no3)sc2c1	732658673	JHGOCTXUASCQMD-UHFFFAOYSA-N	413.890	4.880	50	20	HJGD	
Cc1cc(NNC(=O)c2sc(Cc3ccccc3)nc2C)ccc1Br	734251764	ZNROGBUWXMJRBE-UHFFFAOYSA-N	416.344	4.870	50	20	HJGD	
CC(C)OC(=O)[C@H](C)CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	743084202	JNHPJDXRHTWLOD-QMTHXVAHSA-N	412.861	4.615	50	20	HJGD	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNc1ccc([N+](=O)[O-])cc1	747986772	YBFXJWBYABGGSQ-LZCJLJQNSA-N	419.281	4.789	50	20	HJGD	
CCN(CCC(F)(F)F)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C	748184013	NQAYXEAIJZPALC-QGOAFFKASA-N	419.447	4.811	50	20	HJGD	
O=C(Cc1ccc(OCc2ccccn2)cc1)NNc1cc(Cl)ccc1Cl	752144513	ZIYZLCPYWVMIGP-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
O=C(NCCCOC[C@H]1CCOC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752975608	VCAVYECRPJKADV-GFCCVEGCSA-N	404.401	4.909	50	20	HJGD	
Cc1nn(C)cc1/C=C(\C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	755407942	UVRZVRIOKMGCNE-VZUCSPMQSA-N	418.309	4.705	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3cccc4[nH]ccc34)cc2)n1	755488612	XCKGEXAXQLFFLQ-UHFFFAOYSA-N	415.522	4.631	50	20	HJGD	
O=C(NNc1nc(O)c2ccccc2n1)c1sc2cccc(Cl)c2c1Cl	758309088	KECDOHVHXDAZFE-UHFFFAOYSA-N	405.266	4.614	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	760853534	CUMIPLIJWCQHNS-UHFFFAOYSA-N	405.841	4.731	50	20	HJGD	
CC(C)C[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762660859	FBOJHRRGWLDUQA-CYBMUJFWSA-N	416.412	4.556	50	20	HJGD	
COC(=O)c1ccccc1-c1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1	768088014	ISHRUSKTTPZGNO-UHFFFAOYSA-N	414.383	4.916	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Br)cc2)cnn1-c1cccc(C)c1	768093884	RPUIRKNCFKJRRC-UHFFFAOYSA-N	413.319	4.653	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccccc1C(=O)c1cccs1	769679215	IULIQRASUZCJDJ-UHFFFAOYSA-N	423.563	4.734	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc(C(F)(F)F)ccc1Br	771014926	JVVVQJURARSCGD-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2cccc(C#N)c2)c1)C(=O)c1cccc2c1OCCO2	771513408	KMBMGUDKMVVUGU-BKUYFWCQSA-N	422.440	4.698	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1C	772147575	GHYDRNFPEHCLPU-GVLJNOETSA-N	420.513	4.517	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCCO2)C(=O)c1cc(F)cc(F)c1	772177367	VCZWZBMJIFBLLA-PQMHYQBVSA-N	420.209	4.678	50	20	HJGD	
CCOc1ccc(-c2nc(C(=O)NNc3nc4ccccc4cc3C)cs2)cc1	777477387	LVCHSDVWBCASDH-UHFFFAOYSA-N	404.495	4.822	50	20	HJGD	
COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1	777660922	OPNZYYPNYKSLRO-JTQLQIEISA-N	421.413	4.549	50	20	HJGD	
C[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777911636	MRLMCVVUWWROSF-QMMMGPOBSA-N	423.347	4.590	50	20	HJGD	
Cc1cc(C(=O)NNc2ccccc2OC(F)(F)F)c(C)cc1Br	779203121	ADPWVUANCLPDOI-UHFFFAOYSA-N	403.198	4.721	50	20	HJGD	
CC(C)Sc1cc(Br)ccc1C=NNC(=O)c1ccc(Cl)nc1	779770083	FIUVWMSAADFXOD-UHFFFAOYSA-N	412.740	4.762	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)c1	782018069	IEJGTIBOXWFQPV-UHFFFAOYSA-N	410.232	4.861	50	20	HJGD	
CO[C@H]1CCOc2c(NC(=O)NN(Cc3ccccc3)c3ccccc3)cccc21	790575890	HQCZINURQPUMKB-QFIPXVFZSA-N	403.482	4.900	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cccnc1SCC1CCCCC1	791070454	LKKGJHAESBLKEY-UHFFFAOYSA-N	404.467	4.558	50	20	HJGD	
CSSCCNC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C	791152901	RGCMMLREIOKLFS-UHFFFAOYSA-N	418.968	4.842	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc(F)c(F)cc1C(=O)c1ccccc1	795103423	VXJAEBOXTCTULI-UHFFFAOYSA-N	409.417	4.562	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1	799761382	DWMHSHSPAVTGHW-UHFFFAOYSA-N	422.550	4.597	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2F)on1)Nc1ccc(-c2ccccc2)cc1	802037505	JJKQBIUCJRUXEB-UHFFFAOYSA-N	416.412	4.614	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(F)cc1I	812768889	LWZNFUMRPODASR-UHFFFAOYSA-N	412.246	4.619	50	20	HJGD	
C[C@H]1C(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)CC[C@@H](C(=O)O)C1(C)C	814737149	XXPWFNQSKPNUAO-YOEHRIQHSA-N	419.481	4.738	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)N2CCCCCCC2)c(-c2ccc(Cl)cc2)n1	818015666	YNYSZSPQPBUOOI-CYVLTUHYSA-N	421.932	4.817	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C=NNC(=O)c2ccccc2F)c1	818213091	XSQFIJLPNVJXAT-UHFFFAOYSA-N	416.431	4.890	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1OC	855399469	LXAUXVUCYLDJFZ-KGENOOAVSA-N	421.541	4.851	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc3ccccc3c2)c1C	914482884	NEKKSWOCWWIUNW-WTZXFZKGSA-N	401.510	4.689	50	20	HJGD	
CCN(Cc1cccc(Cl)c1)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	914501682	LPAZZBKSUCUPQU-CTPANLQCSA-N	413.949	4.921	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c1C	915173628	FQELIMSMCRWZJM-PDGQHHTCSA-N	424.932	4.841	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccccc2-c2ccccc2)cc1OC	917516022	HUKAPCHBFFSVQO-XLNRJJMWSA-N	412.489	4.637	50	20	HJGD	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	918668863	UYLRAIOHYIVPAQ-UUYOSTAYSA-N	420.557	4.753	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)nn1	1116097283	MGMLMFCMABSHNF-SFHVURJKSA-N	415.950	4.905	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2OC)c1C	1317700849	UKKYRKHKMGCXLS-RGEXLXHISA-N	401.466	4.657	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3)CCC2)cc1	1786444076	PSQCMSDHZPKWKX-LJQANCHMSA-N	424.932	4.670	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccc(O)cc3)CCC2)cc1	1790489792	LJMHVTYDAWUEHU-QRWLVFNGSA-N	414.933	4.647	50	20	HJGD	
CCCCCc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](Cl)CC)C3)cc1	1802144195	LEZWSPRBHZYDAG-CIAFKFPVSA-N	419.009	4.617	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1	1815568176	WUNPWJRZRTZESH-GXTWGEPZSA-N	422.879	4.542	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	6410521	ZCSZECKUNUYMBC-IQGJIOQQSA-N	408.864	4.758	50	20	HJGD	
O=C(CCc1cnn(-c2ccccc2)c1)NNc1c(Cl)cc(Cl)cc1Cl	15631445	VYIYEQVOHQWRKE-UHFFFAOYSA-N	409.704	4.908	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C(=O)N1CCCC1	18063409	MQLHZOSNMFSEBN-KGENOOAVSA-N	422.488	4.874	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1	205775386	HGBHCWXJFQYJAA-WJDWOHSUSA-N	424.863	4.587	50	20	HJGD	
CCc1oc2ccccc2c1CN(C)C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	302890791	FEZVGWKLMUEENM-XSFVSMFZSA-N	419.525	4.626	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(-c4nnc[nH]4)cc3)c2C)cc1	303496392	MNPCMUFAUZDKEA-BKUYFWCQSA-N	422.492	4.733	50	20	HJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(Br)c(OC(F)F)c(OC)c1	726119288	WXBNHEFNXQOCIF-WUXMJOGZSA-N	402.235	4.971	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(n3ccnc3)CC2)c(C)n1C1CCCCC1	726160852	LSLYKYFTSZNLCP-RCCKNPSSSA-N	405.546	4.577	50	20	HJGD	
Cc1nn(C)cc1[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	727738114	GMGHUGJBXXEUBY-RPJLVFAOSA-N	421.932	4.574	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CCCCC1	728218776	CVRUQQBGLRRJET-QGZVFWFLSA-N	415.559	4.537	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1csc(-c2ccccc2)n1	729275599	ONEHOBDEAVILIB-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1cccc2ncccc12	730147664	ZPSBTRYRQXHCLQ-UHFFFAOYSA-N	424.291	4.800	50	20	HJGD	
O=C(NN=Cc1nc(-c2cccc(Br)c2)c[nH]1)c1ccc2ccccc2c1	731925748	UPSBOFSBXCRIPV-UHFFFAOYSA-N	419.282	4.756	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cnc(-c3ccc(C)cc3)s2)cc1	734305496	APIRNTCOVQQNFB-BOPFTXTBSA-N	402.479	4.623	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCOC[C@@H]2c2ccco2)c1C	735025856	WLNSZZQKBWLTRT-LJJBLSSYSA-N	415.493	4.503	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c(C)n1CC(C)C	744692327	PHMYVUJVSAQCOS-AYBNGVQBSA-N	415.541	4.731	50	20	HJGD	
C/C(=C/C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1	748212032	COSLNUPXCFAPHL-NTMALXAHSA-N	417.214	4.877	50	20	HJGD	
O=C(Cc1cc(Cl)ccc1Cl)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	748343486	HNOVDKAPOZKTTA-UHFFFAOYSA-N	408.163	4.606	50	20	HJGD	
COC(=O)c1cc2c(/C=C(/C#N)C(=O)Nc3c(C)cc(C)cc3C)ccc(OC)c2o1	748995289	ZLLXXEPAEYWBJB-YVLHZVERSA-N	418.449	4.699	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2c(F)cccc2Cl)c1C	752380428	OYURLUBBLHOIKM-CKUJSUPYSA-N	417.912	4.889	50	20	HJGD	
Cc1ccc(SCC(F)(F)F)c(NC(=O)NNC(=O)c2c[nH]c3ccccc23)c1	756663469	IUFYQLHBDHPNQH-UHFFFAOYSA-N	422.432	4.597	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC(=O)c2c[nH]c3ccccc23)c1	759646656	OAWUQNWNCIBFHU-UHFFFAOYSA-N	415.497	4.559	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)N[C@@H](c1ccccc1)c1ccccn1	768021064	MNZGQLBAXBKVEO-KRWDZBQOSA-N	405.260	4.943	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc2ccc(Br)cc2n1)c1ccccc1	771520134	KLWFGGRQWWKNRY-RQNDZEIBSA-N	406.283	4.782	50	20	HJGD	
CSc1cc(/C(C#N)=C\c2ccc(OCCBr)c(Cl)c2)ncn1	773172286	MDHSQSXIPCIRRZ-SDQBBNPISA-N	410.724	4.690	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)c(Sc2ccc(Cl)cc2)c1	773864784	AUYZTWBSGYFZEY-UHFFFAOYSA-N	420.325	4.582	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1	782115688	OFVPQUNOCZHWNX-LLVKDONJSA-N	410.364	4.924	50	20	HJGD	
COCc1cnc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)s1	795600148	FYACTVXEERFYNZ-UHFFFAOYSA-N	410.411	4.748	50	20	HJGD	
O=C(NNC(=O)c1csc(-c2ccccc2)n1)Nc1ccc(Cl)cc1Cl	802088079	SHXLONZYXFNOJD-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
COC(=O)c1cc2c(/C=C(\C#N)c3cc(C(F)(F)F)ccn3)ccc(OC)c2o1	812247004	YCUAOKDMBXYMSS-KPKJPENVSA-N	402.328	4.706	50	20	HJGD	
CCc1nc(C)c(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)o1	813765959	PNJKFGUEFDBVID-UHFFFAOYSA-N	406.398	4.681	50	20	HJGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)c1ccc(COc2ccccc2)o1	814216404	KXGZGWSMEWMTAN-PKTFGXERSA-N	404.466	4.824	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)c1C	825747251	SUUSLEUITDODLE-VLOXRPPESA-N	413.949	4.825	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2cccnc2)c(C)n1-c1ccc(Cl)cc1	843348492	HJYJTMXBWBUGOK-SDLDRHLBSA-N	404.901	4.927	50	20	HJGD	
COc1cc(C=NNC(=O)COc2cc(C)ccc2C)c(-c2ccccc2)cc1OC	915270909	UUYGCQRKRSIUTB-UHFFFAOYSA-N	418.493	4.517	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3ccc(OCc4ccncc4)cc3)cc2C1	915952678	VAGCIVBVNJDFFM-MRXNPFEDSA-N	405.523	4.611	50	20	HJGD	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNC(=O)C(C)(C)C	915967472	OXRLHDGCVFLMDT-UHFFFAOYSA-N	401.725	4.696	50	20	HJGD	
CC[C@@H](C)c1ccc([C@H](NC(=O)NNC(=O)c2ccccc2O)c2cccs2)cc1	916205710	KWNSXYHYAGLAFZ-VFNWGFHPSA-N	423.538	4.701	50	20	HJGD	
Cc1noc(C)c1C=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	916284571	MCPNHWSGZPKKOR-UHFFFAOYSA-N	404.857	4.924	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccccc1Br	916349290	LIMDGYPFAJSECQ-UHFFFAOYSA-N	400.301	4.645	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cn(CCC#N)c2ccccc12	916349555	PWZKRTBEIBNTBY-UHFFFAOYSA-N	413.506	4.751	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)c2nnc(Cc3ccc4ccccc4c3)o2)c1C	1322257757	WDRVQZSTZFXTFQ-HZHRSRAPSA-N	412.493	4.943	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C3(c4ccc(F)cc4)CC3)cc2)CCC1)[C@@H](F)Cl	1786661557	DJBOJWWSCXMARL-GOSISDBHSA-N	418.871	4.526	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(C)(C)C)s1	1797150931	XGCNDTPNRBLKPZ-QKPAOTATSA-N	411.011	4.705	50	20	HJGD	
N#CCC(=O)N1CCCC2(CCN(C(=O)CCCCCCCCCCCl)CC2)C1	1809023439	KTDVVAYEHZJJPO-UHFFFAOYSA-N	424.029	4.881	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)CC1	1832366861	FNYAWQJJNOURFM-CWJKEVGVSA-N	411.030	4.840	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)[C@@H]2CC2(F)F)C1	1843853784	VKHJIZGDWLOTMR-KRWDZBQOSA-N	418.956	4.595	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(SC(F)(F)F)cc2)cc1	24586711	UQDCDFSAXWPRPJ-GXDHUFHOSA-N	405.401	4.803	50	20	HJGD	
N#Cc1cnc2ccccc2c1OCCOC(=O)CCCC[C@@H]1CCSS1	726362532	DBCGLYPAIBSOAL-MRXNPFEDSA-N	402.541	4.743	50	20	HJGD	
COc1cc(C=NNC(=O)CCCc2ccccc2)c(-c2ccccc2)cc1OC	727689535	SFASFNLUYCJOKU-UHFFFAOYSA-N	402.494	4.844	50	20	HJGD	
CCCCc1ccc(C(=O)CCC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	727804730	PRQJTXQALQHWGQ-UHFFFAOYSA-N	421.324	4.760	50	20	HJGD	
C[C@@H](c1ccccc1)N1CCC(NC(=O)NNc2ccccc2C(F)(F)F)CC1	734946026	CAICGDVQXQRCNJ-HNNXBMFYSA-N	406.452	4.557	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)c1C	738541690	DTTLHMTUOFTLCJ-MRXNPFEDSA-N	403.530	4.916	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2cc(F)c(F)cc2F)c(Cl)c1	740927802	RHADKUNLKIMPPZ-UHFFFAOYSA-N	415.799	4.861	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](CN3CCCCC3)C2)c(C)n1C1CCCCC1	742117297	AJEBNVCRBBTRKD-ZHNJOBQTSA-N	422.617	4.852	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(OS(=O)(=O)c2ccc(CCCl)cc2)cc1	742314622	KGSOIQWBMKNFEE-UHFFFAOYSA-N	411.907	4.583	50	20	HJGD	
CCCCC[C@@H](C)CC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	743335388	WRORTFGEMQSHNA-QGZVFWFLSA-N	403.548	4.537	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)N1CCC[C@H]2CCC[C@H]21	743951771	SDPJJNRAKJAQCO-NDGTYSDOSA-N	420.884	4.636	50	20	HJGD	
Cc1cc([C@@H](NC(=O)NNC(=O)CC(C)(C)C)c2ccccc2Cl)ccc1F	745856080	BDGIDTXKLWBZEA-LJQANCHMSA-N	405.901	4.644	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1C(F)(F)F	746895718	JBONLLLPSITLDW-UHFFFAOYSA-N	406.751	4.642	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Cl)cc2Cl)cc(OC)c1Br	748017551	AZMUXZBKCLXERX-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccc(COc2ccc(F)cc2)o1	748073706	UUKHOUDZHSDINL-UHFFFAOYSA-N	423.213	4.656	50	20	HJGD	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NNc2ccc(Cl)c(F)c2)cc1C	748874411	BHUXKYRCSSMEKG-UHFFFAOYSA-N	411.868	4.630	50	20	HJGD	
Cc1nc(Cl)ccc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	752016489	QPPPCFVCFDQSNT-UHFFFAOYSA-N	409.498	4.870	50	20	HJGD	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNc1cccnc1Cl	754478277	VSSKUJPITHCXDF-UHFFFAOYSA-N	421.309	4.768	50	20	HJGD	
CCCc1c(C(=O)NNc2cccc(Br)c2)cnn1-c1ccc(C)cc1	760460991	WEFLKSRYWXPRFH-UHFFFAOYSA-N	413.319	4.653	50	20	HJGD	
Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc(CCCl)cc1	767658298	NBXANSSYFOGEDD-KRWDZBQOSA-N	405.869	4.748	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H](CCO)c1ccco1	769222424	LZYKJBGMCIFCAD-YGRLFVJLSA-N	408.829	4.744	50	20	HJGD	
Cc1ccc(NC(=O)NNc2nc3ccccc3s2)cc1OCC1CCOCC1	770037645	GPJAHZYGHUGDBA-UHFFFAOYSA-N	412.515	4.559	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC(=O)c2ccco2)c(C)n1C1CCCCC1	771563821	KGWGOVCOTQTPGR-ZGPWBKFBSA-N	407.514	4.888	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(C(F)(F)F)cc2Cl)c1C	774806462	QUJHBLVTAXEWLS-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1	775250895	AKLRHOKXVRJUDA-UHFFFAOYSA-N	416.334	4.660	50	20	HJGD	
COC[C@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccc(C)o1	777983239	LYYVJAGETYJNFK-ZDUSSCGKSA-N	421.409	4.911	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccccc3C(=O)c3ccccc3)c(C)cc2c1	778479406	ZGCANGAQMPJWSD-UHFFFAOYSA-N	411.461	4.540	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)cc2Cl)c1C	781761346	IXEPPAWFSLTVJZ-WOJGMQOQSA-N	415.921	4.738	50	20	HJGD	
COc1cc(NNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1Cl	790171305	RQNYLMZMEXFKAP-UHFFFAOYSA-N	409.873	4.666	50	20	HJGD	
CCCN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1	792863344	VGIBKOBLKCZYBB-HXUWFJFHSA-N	411.684	4.608	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ncnc(Cl)c1C(C)C	798143496	WHQZAWRBOUWVAA-UHFFFAOYSA-N	406.273	4.627	50	20	HJGD	
CC(C)(C(=O)NNc1ncc(Cl)cc1Cl)c1ccccc1Br	798991540	BEBAMPIYWGZOJG-UHFFFAOYSA-N	403.107	4.572	50	20	HJGD	
CS(=O)(=O)[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	800562011	PCSZVJJSSHQGEL-LBPRGKRZSA-N	422.441	4.775	50	20	HJGD	
CCCN(NC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)OC(C)(C)C	804594470	BXZGRMDUVLYNJM-UHFFFAOYSA-N	407.898	4.606	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	817935518	XLEJTDSROXELMT-ATVHPVEESA-N	419.462	4.555	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)c1nc(O)c2cc(Br)ccc2n1	914599774	LRILYJBZTRPAON-XFFZJAGNSA-N	418.197	4.763	50	20	HJGD	
CCC[C@@H](C)NC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	915886784	FBJFNTSEUAYXLK-CQSZACIVSA-N	405.951	4.765	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc2ccc(OC(F)(F)F)cc2[nH]1	919745651	BQSAAEHSDCQLGC-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	920064800	JJFKRNZOVGQGDY-GDNBJRDFSA-N	421.844	4.503	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Oc1ccc(C(=O)Nc2cccnc2)cc1	921034552	XINONEYLKGRCAY-GOSISDBHSA-N	402.541	4.953	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CSc3ccccc3)cc2)CCC1	1787774826	NWNXYTJWKDZLAL-IBGZPJMESA-N	416.974	4.930	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)ccc3C)CCC2)cc1	1790490048	QPQBWMQAAPAYNV-HXUWFJFHSA-N	414.933	4.769	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)C1	1806156483	XYXPMANNETWYND-SFTDATJTSA-N	419.009	4.819	50	20	HJGD	
CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](Cl)CC)[nH]n2)cc1	1820644854	WIHBERDUDBKSHM-PKOBYXMFSA-N	416.953	4.686	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)[nH]n1	1820857831	DQSULZNQNYLYAG-PKOBYXMFSA-N	416.953	4.856	50	20	HJGD	
Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)cc1F	1824013058	KEZLILSAJAYMDH-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2F)CC1	1824609433	AKICNNWNDBIAOV-WOJBJXKFSA-N	422.972	4.775	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	17706702	ZWFPMKQSDSBTFF-IUODEOHRSA-N	423.516	4.963	50	20	HJGD	
N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Oc1ccccc1	38391320	RUWDJSMPBAJNAM-FOWTUZBSSA-N	401.378	4.638	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)c3nc4ccccc4[nH]3)cs2)cc1	51121337	PMLVFQOLAFOADM-PTNGSMBKSA-N	415.478	4.777	50	20	HJGD	
Cc1ccc(N2C(=O)CC[C@H](C(=O)NNc3ccccc3)[C@H]2c2cccs2)cc1	195605192	OGTMZSLTJZQHSK-UGKGYDQZSA-N	405.523	4.684	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1	303551955	LTVDSRQMKUNXRG-UHFFFAOYSA-N	407.905	4.545	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)c1oc2ccccc2c1COc1ccccc1Cl	726501649	HUMHWVSJEHRNKW-UHFFFAOYSA-N	412.873	4.616	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(F)cc1Br	729275709	SDDXLWZCORZXOA-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NN=C1CCCc2nc(-c3ccccc3Br)sc21)C1CCC1	731936123	ICAIUVATPVCFBU-UHFFFAOYSA-N	404.333	4.529	50	20	HJGD	
Cc1ccccc1[C@H](NC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C)C1CC1	732820890	XGYLPFXSBXYHMH-LJQANCHMSA-N	420.538	4.522	50	20	HJGD	
CC(C)CC[C@@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)C(C)(C)C	734518280	YLWZOVGNWRLLBE-HXUWFJFHSA-N	415.534	4.654	50	20	HJGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	735759828	FQOLBRWNCBFRRT-MRXNPFEDSA-N	418.444	4.931	50	20	HJGD	
CN(C)C(=O)NNC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12	746006185	WBZJQAGLGVMMHO-UHFFFAOYSA-N	416.525	4.866	50	20	HJGD	
Cn1cc(C(=O)NNc2ccc(Br)cc2Cl)c(C2CCCCC2)n1	748775927	JPULGVKPJFDVHK-UHFFFAOYSA-N	411.731	4.641	50	20	HJGD	
CC(=O)c1cccc(NC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1	748822629	UMXJCSVDYSXGHP-UHFFFAOYSA-N	424.460	4.571	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)nn1-c1ccc(Cl)cc1Cl	753302123	ITSGBSMUWCEGLD-UHFFFAOYSA-N	420.687	4.770	50	20	HJGD	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)NNc1cc(C(F)(F)F)ccc1F	754142959	LNXADEVOTXERRI-UHFFFAOYSA-N	416.444	4.719	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1	759329036	XKMROMOXVGOZSZ-UHFFFAOYSA-N	402.857	4.554	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2cc(Br)cc3cccnc23)c1	759872155	PGJWSCABBIEKPF-LZYBPNLTSA-N	423.266	4.656	50	20	HJGD	
O=C(CCCc1cccc(C(F)(F)F)c1)NNC(=O)c1c(Cl)cccc1Cl	769921535	XTHLXYZKWLEDTN-UHFFFAOYSA-N	419.230	4.796	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)NNc3ccccc3Cl)cccc21	770061705	ULZASKVGYKBBCJ-UHFFFAOYSA-N	402.882	4.786	50	20	HJGD	
C[C@H](NC(=O)NNc1c(F)cccc1Cl)c1nc(-c2ccc(Cl)cc2)no1	771330713	JZYRJPOTMXXHIM-VIFPVBQESA-N	410.236	4.570	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cnc(Cc2ccccc2F)s1	773460005	URMFPFVQKDCYOR-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccccc1C(=O)c1ccc(Cl)cc1	775264695	KQRNHSJNKFXSQV-UHFFFAOYSA-N	419.790	4.742	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1	777479786	QXWSXMFJMPSVLL-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cnc2c(C)cc(Br)cn12	783700033	JBJOLDGDFXIHLC-ZSOIEALJSA-N	419.282	4.985	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1	785244456	DOYZOYCEOCKWMY-RSZPVBOMSA-N	401.441	4.584	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c1	788788454	GPDYPUZQQHTCTH-UHFFFAOYSA-N	415.240	4.596	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)cc1F	789819173	YMZOOMLWQJAEEW-UHFFFAOYSA-N	404.791	4.841	50	20	HJGD	
COc1cc(NNC(=O)c2csc(-c3ccc(Cl)s3)n2)ccc1Cl	790189963	WEMHPKTWOCJDQR-UHFFFAOYSA-N	400.312	4.944	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc3ccc(OC)cc3c2)c1C	790240011	RKZBANLDOIAOLB-ZTBJCTOSSA-N	418.493	4.987	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	792267457	LHUDYPKFNOSGII-AWEZNQCLSA-N	404.388	4.692	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1-n1cncn1)C(=O)Nc1cc(Cl)ccc1Cl	794932825	ZDJAWVQDXYWYNB-XGICHPGQSA-N	418.671	4.773	50	20	HJGD	
O=S(=O)(CCOCC(F)(F)F)Nc1ccc(S(F)(F)(F)(F)F)cc1	811695949	OBIJUDWHVLNAHG-UHFFFAOYSA-N	409.320	4.665	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2occc2CSc2ccccc2)cc1C	812722593	RYEUSVOIYVZNSE-UHFFFAOYSA-N	410.495	4.814	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1	813048468	XCSBTASFCMZCJF-UHFFFAOYSA-N	424.726	4.616	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1C	818138408	FVLQZBGBQQHQSO-NPYWETPNSA-N	415.484	4.717	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c(C)n1C1CCCCC1	918618014	FWXHOLVDBWTSQZ-AGIMELGASA-N	421.545	4.531	50	20	HJGD	
CCCOc1ccc(Br)cc1/C=C(\C#N)c1nc(C(=O)OCC)cs1	920387900	QMNOMPJYWKWGBW-MDWZMJQESA-N	421.316	4.935	50	20	HJGD	
CC[C@@H](C)c1ccc(-c2cc(C(=O)NNC(=O)NCC3CC3)c3ccccc3n2)cc1	920860206	QDXGLZGBNGIQET-MRXNPFEDSA-N	416.525	4.769	50	20	HJGD	
O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NNc1cccc(Cl)n1	1117726594	DMFOLZJRDXYFIL-UHFFFAOYSA-N	413.717	4.851	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2cccc(C#N)c2)c1)c1nc(N)c2ccccc2n1	1337447260	YURSXDXDSCBAEC-NDENLUEZSA-N	403.445	4.727	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1	1786069981	HAIWRNIXAAIAPX-CVEARBPZSA-N	419.363	4.508	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(F)c2s1	1797446546	BLMJNVGFXOGZLA-QKPAOTATSA-N	422.953	4.700	50	20	HJGD	
C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl	1800012334	OWVQBIHEJBCMNO-OKYOBFRVSA-N	417.059	4.693	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)/C(C)=C/c3ccc(C)o3)CC2)C1	1806165475	VUMXJWDHIHZXJL-UQCBTIDJSA-N	420.981	4.630	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2F)CC1	1823902300	LBSDYDOMWPSBQP-VQTJNVASSA-N	422.972	4.775	50	20	HJGD	
Cc1ccc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c1	1832564718	GDKPGUQTIANIQG-NRFANRHFSA-N	419.009	4.802	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3cc(CC)ccc23)c1C	5869996	JNDQAJZDBKOKNF-UDWIEESQSA-N	418.493	4.834	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1	214857103	UBFBPHQFIPZYRI-MLJKTZRHSA-N	403.265	4.779	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cccc(OCCCC#N)c1	726736290	IDULPJJFYHERQE-UHFFFAOYSA-N	404.495	4.565	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	727850398	UQXJKHBBZUORQC-ROUUACIJSA-N	413.304	4.640	50	20	HJGD	
Cc1cc(C=NNC(=O)C(C)(C)c2ccccc2)cc(C)c1OCc1ccccn1	731152523	KJZAYKPAPQEHIB-UHFFFAOYSA-N	401.510	4.705	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1ccc(OC(=O)c2cccs2)c(OC)c1)c1ccccc1	731931212	ZUCKLEOOXIXCLV-GOSISDBHSA-N	422.506	4.620	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1[nH]c2ccc(Br)cc2c1Cl	733362319	XUBYFTVUHSHOHS-UHFFFAOYSA-N	400.610	4.619	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1	734304415	JBFGDRYOFXAPSN-PDGQHHTCSA-N	403.463	4.855	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](Cc2ccccc2)c2sccc2C)cc1	737067956	REWFQOSSBQCOMS-FQEVSTJZSA-N	407.539	4.547	50	20	HJGD	
C[C@H]1CC(=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CCN1C	741454329	ZZVWUCKWSRADNR-HNNXBMFYSA-N	424.595	4.789	50	20	HJGD	
CCO[C@H]1CC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C12CCCC2	743420673	GDYVBPQHNOCFBI-QHCPKHFHSA-N	414.509	4.752	50	20	HJGD	
Cc1c([C@@H](NC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C(C)C)oc2ccccc12	745816112	UQGDUFZZIBWRIP-FQEVSTJZSA-N	423.517	4.540	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2ccsc2)nc1C	748741321	ZBWHGJDYYMZSFL-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
Cc1cccc(C(=O)NNc2cccc3cnccc23)c1NC(=O)c1ccccc1F	748759559	YVXKOYRUROBXDT-UHFFFAOYSA-N	414.440	4.692	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3cccc4cnccc34)c2c1	748769245	BKFZDTDDWQLDTE-UHFFFAOYSA-N	405.461	4.910	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1	752031356	NAFHKRFTYVFFFZ-LDADJPATSA-N	412.424	4.598	50	20	HJGD	
Cc1onc(-c2cccc(Br)c2)c1C(=O)NNc1cccc2cnccc12	752146008	HEADITVISJYPKL-UHFFFAOYSA-N	423.270	4.718	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	752618375	SUYZDPQRLBFHOO-HRYODUOUSA-N	409.408	4.614	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(-n2nc(C)cc2C)cc1	753173728	MRFAABVZCCFOCC-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cnc(Cc2ccccc2)s1	755777836	ODDGXCWRDSYHKC-UHFFFAOYSA-N	422.735	4.907	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ncco3)ccc2C)c1C	759849688	QDVKCHAISONSOE-QREGZJMFSA-N	418.497	4.821	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccc2[nH]c(-c3cccs3)nc12	759972994	JFYFCFKHHGNDMB-UHFFFAOYSA-N	400.410	4.650	50	20	HJGD	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cc(C)ccc2F)c1	760137103	QGZBEFGFVGLMBU-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2OC(F)(F)F)cnn1-c1ccccc1C	760517445	OWXGLFWKJYVXJL-UHFFFAOYSA-N	418.419	4.789	50	20	HJGD	
COC(=O)Nc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1	764319809	GPQDSFXUJPNAFV-UHFFFAOYSA-N	421.297	4.659	50	20	HJGD	
Cc1ccc(C)c(-n2ncc(C(=O)NNC(=S)Nc3ccccc3C(C)C)c2C)c1	772448862	ADUFQXQWNCXZQV-UHFFFAOYSA-N	421.570	4.552	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccccc1OCc1ccc(F)cc1	775266587	XTCRPIDBTDQOKO-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
CC(C)c1cc(C(=O)NNc2ccccc2OC(F)(F)F)nn1-c1ccccc1	779203634	FBNRAHXDOOORRA-UHFFFAOYSA-N	404.392	4.651	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1Oc1ccncc1	779218221	WJMBSCPYQGCWQE-UHFFFAOYSA-N	403.360	4.838	50	20	HJGD	
COc1cc(F)cc(NNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1	780956262	ZHYDIFCMCGRAJG-UHFFFAOYSA-N	402.775	4.681	50	20	HJGD	
COc1ccc(C(=O)c2ccccc2C(=O)NNc2cc(Cl)ccc2Cl)cc1	781349017	UEOGAKDIFKUUHP-UHFFFAOYSA-N	415.276	4.990	50	20	HJGD	
Cn1ccc2cccc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)c21	788553832	OQPDQJKSDBYEGR-HKWRFOASSA-N	420.476	4.501	50	20	HJGD	
COC(=O)c1nc([C@H]2CCCN2C(=O)CCCC[C@@H]2CCSS2)sc1C	792556554	NWJHFLHXIMYYAK-ZIAGYGMSSA-N	414.618	4.616	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cccc(NC(=O)c2ccccc2Cl)c1	792633901	VIEWBEGHTGJZPI-GHRIWEEISA-N	402.903	4.672	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccc(Br)cn1	793395224	KORXSRJOBTUMNT-QMMMGPOBSA-N	404.095	4.538	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2c(F)cccc2F)c1C	797026012	RUKWYRAPWRASOY-BWVVWKORSA-N	402.441	4.802	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2c(-c3cccc(Cl)c3Cl)noc2C)c1	797747098	QNEFHVCBQUIMIL-UHFFFAOYSA-N	410.232	4.861	50	20	HJGD	
COCc1nc(C(=O)NNc2ccccc2C(F)(F)F)c(-c2ccccc2)s1	799293417	GFXRUCYKNWJFSS-UHFFFAOYSA-N	407.417	4.732	50	20	HJGD	
O=C(NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1cnn(-c2ccccc2)c1	799480739	UBHVCAIZXZLNEG-MRXNPFEDSA-N	412.415	4.945	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3ccc([N+](=O)[O-])cc3C)cs2)cc1	805376344	UGSGRAKKCVXWAT-UHFFFAOYSA-N	412.471	4.572	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)N(C)CC)c2)c1C	805445025	GAOUOQVOXVLLCB-KGENOOAVSA-N	406.530	4.543	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)c2ccccc12	807622725	GHHGJKZXXSJISB-IOAHRDFVSA-N	409.505	4.587	50	20	HJGD	
CCc1nocc1CN(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C	818555358	AWZONGJKQFNMDT-NDENLUEZSA-N	402.498	4.519	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1C	897486182	OYUBPRBZXDORET-OVCLIPMQSA-N	402.401	4.637	50	20	HJGD	
COc1cc(C)c([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1OC	915868966	IWBAYZGWRXKATO-DUQUIBLKSA-N	423.557	4.871	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2c(C(C)C)nn(C)c2Cl)c(C)n1CC(F)(F)F	915989401	GEEQPAMASDYCPW-NTUHNPAUSA-N	412.843	4.967	50	20	HJGD	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(C)(=O)=O)cc1	916132385	BGFDXSXEAITBHR-MOSHPQCFSA-N	409.536	4.560	50	20	HJGD	
CCCCCC(=NNC(=O)c1ccc(CSc2nncn2C)cc1)c1ccccc1	916295039	MBHVJDCYAATKQA-UHFFFAOYSA-N	421.570	4.822	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CN3CCCC3=O)cc2)c1C	916428272	BBRZUBUMVSQHAE-PXLXIMEGSA-N	418.541	4.573	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCSc3ccccc32)c(C)n1C[C@@H]1CCCO1	916557736	IOPCBQFRYZLYGJ-URBQWANRSA-N	421.566	4.720	50	20	HJGD	
CC(CCc1ccco1)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	917024461	GVAWFZHAONFMGD-UHFFFAOYSA-N	408.527	4.717	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)n1	918007643	PUABXASNDHNUOW-UHFFFAOYSA-N	404.367	4.675	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)c1ccc(F)cc1	921266481	YPWLOLKKHOXYRK-WJDWOHSUSA-N	418.262	4.793	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccnc(C)n1	1321095217	SPZFMMLZXREFIJ-UHFFFAOYSA-N	410.930	4.885	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1	1786262783	YZCOCDFBGUVARK-GOSISDBHSA-N	421.379	4.874	50	20	HJGD	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@](C)(Cl)CCl)CCC2)cc1	1791730713	SZNYGTPDAVNAHW-FQEVSTJZSA-N	409.357	4.550	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C4CC4)cc3)CC2)C1	1805264230	BFSRFOJFGCGHDC-UHFFFAOYSA-N	416.993	4.674	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)[nH]n1	1815317443	VXWJTVSUAAZDHG-QDUBOOTOSA-N	420.966	4.584	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1	1825298441	XBYUPFOXLZHAPV-OVKVCFKUSA-N	423.022	4.646	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2)CC1	1829997310	FORYSJMGEFWBFW-SFTDATJTSA-N	404.982	4.636	50	20	HJGD	
CCOC(=O)/C(C#N)=C/Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1	7698654	IAPHXQNWDMYSCA-OBGWFSINSA-N	423.538	4.732	50	20	HJGD	
O=C(NN=Cc1cnn(Cc2ccccc2)c1)c1cc(-c2ccco2)nc2ccccc12	725760318	SYWUUKZXNJPMDJ-UHFFFAOYSA-N	421.460	4.504	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1	726545941	DGMFFERBRDBOKJ-GUBFPNNNSA-N	423.944	4.597	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)C[C@H](c1ccccc1)C(F)(F)F	728605569	DVCPYDKGNUNZFU-MRXNPFEDSA-N	409.477	4.864	50	20	HJGD	
O=C(CCc1ccc(Br)cc1F)NNc1cccc(C(F)(F)F)c1	728717267	ZVPVEXQDDCCTFL-UHFFFAOYSA-N	405.189	4.683	50	20	HJGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1	729619097	HXMADAOISJXAEJ-GOSISDBHSA-N	407.474	4.525	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2nc3ccccc3n2C)c(C)n1CCC(C)C	732162168	MAFUDAYYVCCTDM-STZFKDTASA-N	417.557	4.603	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2ccc(C(C)C)cc2)c1C	741817842	GBUZAFYUTAPFHM-WQZUMXOESA-N	422.525	4.596	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)[C@H]1CCOc2ccccc21	742005308	SVWGJLRQEFLSEH-NSHDSACASA-N	416.102	4.765	50	20	HJGD	
COc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)cc(Cl)c1OCC(C)C	746701636	RQYVLBVQAJJPCN-UHFFFAOYSA-N	402.800	4.558	50	20	HJGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1ccc(Br)cc1F	748204130	UWDQUUNNLSJYIQ-GFCCVEGCSA-N	405.189	4.768	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	748551675	NQUPYXDGCBKGQY-UHFFFAOYSA-N	409.408	4.962	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)/C(C#N)=C/c3ccc(F)cc3)cccc21	752527242	RJTPAUIBHFKMIA-DTQAZKPQSA-N	407.445	4.669	50	20	HJGD	
COC(=O)C[C@]1(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCOC1	752989968	HVQORZREIOPEMO-OAHLLOKOSA-N	418.384	4.578	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)cnn1-c1ccccc1C	760463107	NMNUTNYLPRPKCL-UHFFFAOYSA-N	418.419	4.789	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(F)c(F)cc1Br	767397195	XXTYGBXCFFQVBZ-UHFFFAOYSA-N	414.008	4.930	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(C(F)(F)F)c2)c1C	768747100	IWQQDLNOIOZIHG-SMLKNPDNSA-N	420.431	4.982	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3c(C)cccc3F)c2)cc1	771713046	LKRVRPCRIHGSKW-UHFFFAOYSA-N	420.484	4.992	50	20	HJGD	
C=C(C)[C@@H](NC(=O)NNC(=O)Nc1ccc(C)cc1Cl)c1ccc(F)c(F)c1	773476580	VHQPQRRLHQYYNQ-QGZVFWFLSA-N	408.836	4.580	50	20	HJGD	
CN(C)[C@H](CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccco1	777854760	SXPMWAKOELMLIG-CYBMUJFWSA-N	420.425	4.518	50	20	HJGD	
COc1cc(F)cc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	778047438	NZTNUWGODLXHFI-UHFFFAOYSA-N	421.384	4.970	50	20	HJGD	
C[C@H](CCO)C1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCC1	778059491	ZRBARSMAHKQOMS-GFCCVEGCSA-N	423.469	4.811	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1C(=O)NNc1ccccc1OC(F)(F)F	779209559	YBRYRFXJYRLMJG-UHFFFAOYSA-N	411.380	4.689	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1	780795002	BGHYLKHMIHWJTO-UHFFFAOYSA-N	414.383	4.916	50	20	HJGD	
Cn1c([C@@H](NC(=O)[C@H](Br)C(C)(C)C)c2ccccc2)nc2ccccc21	781080122	LUAABSLFNIBWSC-ROUUACIJSA-N	414.347	4.589	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cnc3c(C)cc(Br)cn23)c(C)c1	783697877	WMHJOAHDWARZHA-LZYBPNLTSA-N	423.314	4.876	50	20	HJGD	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1OC	787151746	QUXVDAPZWBZODO-NGWPFTMJSA-N	414.889	4.540	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)c(C)n1[C@H](C)c1ccccc1	787436289	VESBVJUOVLGEKC-MRXNPFEDSA-N	424.932	4.512	50	20	HJGD	
N#C/C(=C\c1cnc(-c2ccc(Cl)cc2)s1)C(=O)Nc1ccc2c(c1)OCCO2	789130498	OVIOYKZNHNOSHD-NTEUORMPSA-N	423.881	4.780	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)c3cnc4ccccc4n3)cs2)cc1	790227045	CSNCDBXOXRKORK-XNTDXEJSSA-N	400.463	4.738	50	20	HJGD	
CCc1c(C(=O)NNc2ccccc2Br)cnn1-c1ccccc1Cl	790806711	LNDNACZIOWNNGK-UHFFFAOYSA-N	419.710	4.608	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cnn(-c2ccccc2)c1C(F)(F)F	791717034	OTISXBRYNCNWHC-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)[C@H]3CCCOC3)cc2[N+](=O)[O-])cc1	794883175	JMMRUKQTGLZOIT-SZLZGVTBSA-N	408.479	4.957	50	20	HJGD	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	806183277	BYBUBDOIUMJOQZ-WWGRRREGSA-N	421.916	4.996	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1	816486579	JNVXHPGEHHIBTD-UHFFFAOYSA-N	423.904	4.512	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1	825198129	AAZZBSIIPKWZFQ-UHFFFAOYSA-N	414.799	4.821	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2cccc(F)c2)C2CC2)c(C)n1C[C@@H]1CCCO1	914487408	JPJOFHNTSCHPRF-DNQIBQKISA-N	421.516	4.521	50	20	HJGD	
N#C/C(=C\c1ccc(OCCN2CCCC2)cc1)C(=O)Nc1cccc2ccccc12	914702510	IKICWIQORSPQJD-RELWKKBWSA-N	411.505	4.860	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c1C	915632656	LLGGRAXTSCUYLF-GDWLKWCGSA-N	423.557	4.884	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1cc(Cl)ccc1OC(F)F	915958610	NECJFNFFTJTXFZ-UHFFFAOYSA-N	421.856	4.758	50	20	HJGD	
CC[C@@H](C)C(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1	915976798	KCVFDFXCKDZUFD-QGZVFWFLSA-N	400.482	4.841	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1C	917741253	MDAOMSWWOXNKEP-RCCKNPSSSA-N	418.541	4.733	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCN(C(C)(C)C)CC2)c(C)n1-c1ccccc1F	919851143	MSCVPAKJIKYYPA-HMMYKYKNSA-N	422.548	4.519	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)c1ccoc1C	921262673	WOUVHCANFMNNCR-XNTDXEJSSA-N	404.260	4.556	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1ccccc1Cl	1790225887	NMHOMINDQWSMPY-UHFFFAOYSA-N	411.716	4.891	50	20	HJGD	
C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCCCCCCl)[nH]n1	1821876913	SNMVTVUQEMEHSB-IBGZPJMESA-N	420.985	4.785	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1C	10412549	NSDGCDKGWWZXTB-IREQLNLFSA-N	401.894	4.520	50	20	HJGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc1C	17700253	VRFDQYRKMPXPEE-FOWTUZBSSA-N	402.406	4.713	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2F)cc1Cl	213125384	GGLYBQIAQZRWJE-WDZFZDKYSA-N	409.642	4.796	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC[C@H](C2OCCO2)C1	729553484	QNBQQYJREQWVFQ-XHDPSFHLSA-N	424.872	4.523	50	20	HJGD	
Cc1nc(C(C)(C)NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)no1	729818928	PFRMHSJDMQUYMU-NSHDSACASA-N	408.833	4.654	50	20	HJGD	
CC(C)(C(=O)NNC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)c1ccccc1	731221922	JRSDBQJHZAZASE-OAQYLSRUSA-N	421.928	4.738	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CCc2ccc(C(C)(C)C)cc2)c1C	734259575	LPHQAWHLFZXMPN-UHFFFAOYSA-N	403.530	4.529	50	20	HJGD	
CC(=NNC(=O)COc1ccccc1-c1ccccc1)c1c(Cl)nc2ccccn12	737421571	SDLORCQWGZTCSR-UHFFFAOYSA-N	418.884	4.574	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1C	739629951	XLDSEWSYAWMRPN-QFXXMJIKSA-N	407.514	4.618	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@@H](C)C#N)c(C)n1-c1cccc(C(F)(F)F)c1	743876748	DSZXGHWDYAUTDW-RMNBPEERSA-N	414.431	4.638	50	20	HJGD	
COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccc(F)c2)cc1	748088226	CBLJOTIIKRPXFA-UHFFFAOYSA-N	416.456	4.503	50	20	HJGD	
O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NNc1cc(Cl)ccc1Cl	752813474	XPTHIUVPMBRTBN-UHFFFAOYSA-N	404.084	4.634	50	20	HJGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)Nc1ccc2c(c1)oc1ccccc12	755913844	BZVHGBOTJNKNNI-UHFFFAOYSA-N	411.364	4.654	50	20	HJGD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cc1	757425072	JHERMPMWCUZLRJ-HNNXBMFYSA-N	424.478	4.722	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccc(F)cc2Br)cc1OC(C)C	760957829	CJQOHRAITGCDIX-UHFFFAOYSA-N	412.259	4.533	50	20	HJGD	
COCCOC[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762968019	LZEMQZNCRKOCFP-GFCCVEGCSA-N	404.401	4.861	50	20	HJGD	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)o1	766570328	LCDIOMIIDONWAA-UHFFFAOYSA-N	407.338	4.524	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F	766593598	JJSJXFAZAGKOPV-NWDGAFQWSA-N	401.860	4.680	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(Cl)c(N2CCCC2=O)c1	767401312	DHHQNEUMZYPNQS-UHFFFAOYSA-N	416.667	4.670	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F	771708042	YELBWZLVZPQLOE-UHFFFAOYSA-N	402.420	4.788	50	20	HJGD	
O=C(NCc1ccc2c(c1)CCO2)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773168459	LZLRHZTXISJZCY-UHFFFAOYSA-N	422.375	4.534	50	20	HJGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc(Sc2ccc(Cl)cc2)cc1	773317683	VVHFEGAGJGNKEW-UHFFFAOYSA-N	423.885	4.693	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1cc(C(F)F)ccc1Cl	773699340	VCMVZDRZOBTWGV-UHFFFAOYSA-N	408.619	4.666	50	20	HJGD	
N#Cc1cccc(Oc2ccc(NC(=O)NNc3ccc(C(F)(F)F)cc3)cn2)c1	775508354	UEZRYUQIBNBCSR-UHFFFAOYSA-N	413.359	4.913	50	20	HJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1	777809444	SUILVIPZQQCRMZ-PQFHHTBUSA-N	406.490	4.505	50	20	HJGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1ccccc1OC(F)(F)F	779209646	NFOSNRUXNXCOCC-UHFFFAOYSA-N	405.376	4.706	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(F)c(F)c1	783461075	KBWMWJGGPURBPU-UHFFFAOYSA-N	423.331	4.741	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)ccc1Cl	790171505	UKBSVVIGTNIMDN-UHFFFAOYSA-N	404.253	4.946	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	798824959	VNTZFLULERYBEB-VIFPVBQESA-N	421.297	4.879	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	798992739	UDLDVVVVUSMQIK-UHFFFAOYSA-N	415.335	4.600	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802002490	PNWHRXBNLHYDQQ-UHFFFAOYSA-N	422.844	4.517	50	20	HJGD	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1nccnc1C1CCC1	805470205	RIEPUVLWQPVOOR-UHFFFAOYSA-N	418.284	4.771	50	20	HJGD	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	809302534	BATITGYSNSDEEK-IMHGYARHSA-N	423.557	4.838	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1c(F)cc(C(F)(F)F)cc1F	810684124	PHXFBCHXACAECH-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(-c2nc3ccccc3s2)o1	816486077	NCTKPHIOSFZJBK-UHFFFAOYSA-N	413.890	4.880	50	20	HJGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1sccc1Br	915048934	LNHXNXFHYSXUPV-UHFFFAOYSA-N	420.357	4.717	50	20	HJGD	
C[C@@H]1CN(Cc2ccccc2NC(=O)CCCC[C@H]2CCSS2)C[C@@H](C)O1	918613979	XHWJRMRJZBAUDY-LMMKCTJWSA-N	408.633	4.948	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1	920082186	RHYWEIQYALODEM-UHFFFAOYSA-N	401.919	4.769	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nnc(C3CC3)o2)c(C)n1-c1cccc(Cl)c1	920492038	ZZSVPFJRMMIXMJ-RQZCQDPDSA-N	422.872	4.658	50	20	HJGD	
Cc1nc(COc2ccccc2C(=O)NNc2ccc(Br)cc2)cs1	932534298	KBVGKJWGYPXKQC-UHFFFAOYSA-N	418.316	4.550	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1C	1122491632	GLBGKNPRSIFTFF-UEUBSKPWSA-N	412.493	4.644	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CN(CC)CC)CCC2)cc1	1786445881	AHCMYAWVHAMFFE-FXAWDEMLSA-N	422.013	4.506	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4sccn4c3)cc2)CCC1	1788412373	UUHJYSHXJUPSBV-KRWDZBQOSA-N	415.946	4.766	50	20	HJGD	
CCOc1ccccc1C(=O)NC1(c2ccc(NC(=O)[C@@H](Cl)CC)cc2)CCC1	1790490041	QGRAQVUSRSPDFQ-IBGZPJMESA-N	414.933	4.850	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccccc4o3)CC2)C1	1806160464	XRJMJBSYUSXZFH-SFHVURJKSA-N	416.949	4.685	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)c(C)c2)n[nH]1	1821113942	JGVWCXRUSMDVKN-CRAIPNDOSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828408676	NUNQULXTCQZZAW-RBUKOAKNSA-N	414.993	4.686	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNc3ccc(F)cc3)cc12	301244223	XHNKMBCUTLXXMZ-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c2c(c1)C[C@@H](C)O2	303140322	DLNILVVPAXMJAT-PWDRSIHYSA-N	416.449	4.879	50	20	HJGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCCCC1)c1c(Cl)cccc1Cl	727791829	YOEGVXLTUJPVCU-UHFFFAOYSA-N	409.288	4.796	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1C[C@@H]1c1cccc(Br)c1	729515468	ZWCMFMHVNLSTJF-CVEARBPZSA-N	416.706	4.898	50	20	HJGD	
Cc1cc(C)cc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1	730501488	DIROEMHRAVGLNJ-CSAOALJCSA-N	405.542	4.685	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1F)c1ccc(COc2ccccc2)o1	733201486	LALGXPQZZIAEDA-UHFFFAOYSA-N	406.335	4.780	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c1C	737727527	DNXPPGMRPILTOU-RCCKNPSSSA-N	421.541	4.927	50	20	HJGD	
O=C(NNC(=O)Nc1ccc(Br)cc1Cl)Nc1ccccc1Cl	743811207	WBLFQPLDEVUFTF-UHFFFAOYSA-N	418.078	4.614	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1	744569781	IXNAFXDBWMNZPL-CLXYIWAZSA-N	421.428	4.794	50	20	HJGD	
COc1cc(C)nc(NNC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)n1	746622698	DRLDPQZQZKALNN-UHFFFAOYSA-N	419.268	4.650	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc(-c2ccccc2)nn1-c1ccccc1	748660927	FYFQLIPGEHMGGS-UHFFFAOYSA-N	420.419	4.898	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1	748673161	ZIXHJLJALMHRGX-OAQYLSRUSA-N	409.555	4.899	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(C2CC2)nn1-c1ccccc1	748730959	FRDDMOMTOFTQFQ-UHFFFAOYSA-N	411.303	4.578	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccc(CCC(F)(F)F)cc1	752142408	OAYCZBCAHVAPSA-UHFFFAOYSA-N	405.189	4.840	50	20	HJGD	
O=C(NN=C[C@H]1CCOc2ccccc21)c1cc(-c2ccncc2)nc2ccccc12	752156257	ZECFAYCWLZIKJT-GOSISDBHSA-N	408.461	4.579	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(Oc2ccc(F)cc2)cc1	754470971	BUTXXIVTVHHNQV-UHFFFAOYSA-N	400.413	4.832	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(F)c(C(F)(F)F)c(F)c1	760463132	OOYCGUAMSSQISR-UHFFFAOYSA-N	400.225	4.639	50	20	HJGD	
CCCOc1cn(-c2ccccc2)nc1C(=O)NNc1c(Cl)cc(F)cc1Cl	767402470	NQGAUXBNRPOFHL-UHFFFAOYSA-N	423.275	4.864	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)c2nc(-c3ccccc3)no2)c(OC)c1	768491066	AFSPHPYCXWSLTK-MDWZMJQESA-N	412.243	4.580	50	20	HJGD	
O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NNc1c(F)cccc1Cl	771305222	OXNYRDOHTNBZCW-UHFFFAOYSA-N	404.804	4.632	50	20	HJGD	
N#C/C(=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)c1cc(F)cc(F)c1	773171502	MTKHRQDMCKMTHI-VGOFMYFVSA-N	403.310	4.959	50	20	HJGD	
CSC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773413592	HNLZDHLJHOUQEQ-NSHDSACASA-N	404.426	4.637	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(Oc2cccc(Cl)c2Cl)nc1	778449342	JUZGIIYPSMJXEV-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
O=C(NCc1ccnc(Oc2ccccc2)c1)NNc1ccccc1OC(F)(F)F	779524472	RCGBMHFMRNGKHY-UHFFFAOYSA-N	418.375	4.599	50	20	HJGD	
O=C(NN=Cc1c(Cl)ccc2cccnc12)c1ccc(COc2ccccc2)o1	781121504	JGLZFEGOPKUSKU-UHFFFAOYSA-N	405.841	4.824	50	20	HJGD	
CCOc1ncccc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782911310	VXKNYDJKOVUVBA-UHFFFAOYSA-N	404.382	4.939	50	20	HJGD	
CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1C	782982037	UKJDGXHFSXYUJV-OLZOCXBDSA-N	422.485	4.837	50	20	HJGD	
Cc1ccccc1[C@@H](CO)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982061	VCEWZSIKVPHESC-OAHLLOKOSA-N	417.421	4.664	50	20	HJGD	
C[C@]1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCCC[C@@H]1O	782985729	UEPFHGVDQXSKFM-UONOGXRCSA-N	409.442	4.564	50	20	HJGD	
O=C(NNc1ccccc1Cl)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1	784780523	XZNMZALVBNVHHG-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(OC)c(OCC(C)C)c2)cc1	787151815	RTDSCGRTFHPNIP-BRLDDBHUSA-N	408.498	4.523	50	20	HJGD	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NNc1ccc(C#N)c(Cl)c1	790883341	AFHQLYSBEQUXKS-UHFFFAOYSA-N	420.778	4.951	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OC[C@@H]2CC3(CCC3)C(=O)O2)c(C)n1C1CCCCC1	791289518	HJVKUNZCOUGWAK-JCAJYURWSA-N	410.514	4.546	50	20	HJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)Nc1ccc(SC(F)F)cc1	794867460	YUAUUOZXVPJPGF-ACCUITESSA-N	414.412	4.872	50	20	HJGD	
CCCN(NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C)C(=O)OC(C)(C)C	804591193	GEWUXFYVTNNLQY-UHFFFAOYSA-N	402.491	4.555	50	20	HJGD	
Cc1noc([C@@H]2CCCCN2C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	807756798	XRDGVDOBFKSMCQ-PZHBDVNGSA-N	421.545	4.962	50	20	HJGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2c(Cl)ccc(Cl)c2Cl)cc1	818249567	IBLNKLDHSRHKRE-NSHDSACASA-N	415.704	4.963	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccccc2OCc2ccccc2C)cc1C	818295361	KMGOULKJZUHWIC-UHFFFAOYSA-N	419.550	4.822	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNC(=O)Nc1ccccc1C)oc1ccccc12	920934905	JDFYFNCGLOOTNO-UHFFFAOYSA-N	404.426	4.761	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(-c3cnn(C)c3)cc2)c(C)n1CC(F)(F)F	1256382606	WDYCIEGROLXNLD-NVMNQCDNSA-N	412.415	4.858	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCCC2)cc1)c1nc(O)c2cc(Br)ccc2n1	1317911033	ZPRVXPIHAZPACR-RVDMUPIBSA-N	421.298	4.762	50	20	HJGD	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)NNC(=O)c2ccccc2Cl)cc1	1318901980	QBBIOTZCGCEBMG-OAHLLOKOSA-N	423.900	4.721	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1scnc1C1CC1	1787185899	LNVIOWROICCMRW-UHFFFAOYSA-N	424.353	4.572	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1	1789678240	ALUWDCHFWSQLRY-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
CCCCC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](Cl)COC)cc2)CCC1	1791571737	JTZBCFKATJKHRG-LPHOPBHVSA-N	408.970	4.591	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccsc2)[nH]n1	1815317793	INGMANIPFCAJSW-WBVHZDCISA-N	422.982	4.504	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826366035	KAGPCDGHNOESPI-NRFANRHFSA-N	419.009	4.504	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1	1830309708	JKWBUZCFWGSOQZ-UXHICEINSA-N	416.949	4.684	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1	1832474547	VTYXMYKLLFYFJJ-VQTJNVASSA-N	409.014	4.594	50	20	HJGD	
Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccnc2)nc2ccccc21	5070233	GXEFDLRPABGGRY-XMHGGMMESA-N	402.461	4.885	50	20	HJGD	
N#C/C(=C/c1cccc2c1OCCCO2)C(=O)Nc1ccc(SC(F)F)cc1	59404790	NWCOKWHTYKYMSE-KAMYIIQDSA-N	402.422	4.708	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccc(-c3ccc(C)cc3)o2)c1	728431651	WYYKCWFFZIRMKA-UHFFFAOYSA-N	413.271	4.790	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccc(C)cc1	728954907	SAVBJTDQLCFEKV-MRXNPFEDSA-N	424.726	4.506	50	20	HJGD	
N#Cc1cccc(NNC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1	729619100	HXMADAOISJXAEJ-SFHVURJKSA-N	407.474	4.525	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NN=c1cc[nH]c2ccccc12	730288537	QJVBUAWWWHVTJK-UHFFFAOYSA-N	418.500	4.866	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@@H]2CCCOC2)c(C)n1-c1ccc(Cl)cc1	730789825	BDTMZRHMADKTOT-TYJAPOHBSA-N	411.933	4.540	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1C	732163348	UAQOZOGIWPFTCV-YVLHZVERSA-N	409.921	4.658	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1	733083869	SJKQMKCMELZRLR-XNTDXEJSSA-N	420.450	4.663	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(c2ccc(F)cc2Cl)C(C)C)c1C	735634954	KSBUCNMOZKYBII-WOJGMQOQSA-N	417.912	4.892	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cccnc1Oc1ccc(Br)cc1	735700877	MZINJMWCTANFEM-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
O=C(NNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)c1cccc2ccccc12	743627409	DMYLLEXMTXHLMF-UHFFFAOYSA-N	412.493	4.555	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)c1C	746689313	JOJBKIAXTIUDGL-GFCCVEGCSA-N	416.312	4.709	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cc(F)c(F)cc1F	747410214	JWESIJZCEBGWEY-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(CC#N)c3ccccc3)c2C)cc1	747652862	LDRQAYSMBXDIAE-PGMHBOJBSA-N	410.477	4.567	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)cc1	748117166	POOXRPYERDVQBP-SAPNQHFASA-N	406.445	4.943	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc(Cl)ccc1Oc1cccc(Cl)c1	759302101	KJKBOQFCRPLMAQ-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
COc1ccc(NCC(=O)NN=Cc2c(Cl)cccc2Oc2ccccc2)cc1	769567061	MDZNXSSMYSJAJF-UHFFFAOYSA-N	409.873	4.703	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ccc(Br)c(F)c1	771680927	PAZMESQFZUHUPR-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
Cc1csc(Sc2ccc(C(=O)NNc3c(C)cccc3F)cc2[N+](=O)[O-])n1	771701909	QMURQECGNUBURJ-UHFFFAOYSA-N	418.475	4.715	50	20	HJGD	
O=C(NCC1CCSCC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773253177	UOHRSAPELPAIDH-UHFFFAOYSA-N	404.426	4.542	50	20	HJGD	
CCC1(C(=O)O)CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	776700899	NKKWXSBADDLHLQ-UHFFFAOYSA-N	423.425	4.610	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cn(-c2ccccc2)nc1-c1cccs1	777465019	WVZHYQHWJQHFNW-UHFFFAOYSA-N	411.490	4.906	50	20	HJGD	
CC(C)c1ccc(NC(=O)C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c(C(C)C)c1	783288966	DEBROBDHTSHEHM-UHFFFAOYSA-N	418.881	4.577	50	20	HJGD	
O=C(CCc1cccs1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783461763	WGZSNCBOSIMDJM-UHFFFAOYSA-N	421.434	4.843	50	20	HJGD	
Cc1cccc2c1OCC[C@H]2OC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	789493198	IEAPVGPKLCFNEY-GQNNBKIPSA-N	420.509	4.566	50	20	HJGD	
Cc1cc(CSc2ncccc2C(=O)NNc2cc(Cl)cc(Cl)c2)no1	791719306	VKRGUBNRMLGRJP-UHFFFAOYSA-N	409.298	4.734	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(Cl)cc2)c1Cl	792633210	BOSPIQANLPONLP-YBEGLDIGSA-N	412.342	4.626	50	20	HJGD	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)NNc1cccc(C)c1	794924373	SIOXRFIJJLCUCL-UHFFFAOYSA-N	400.276	4.732	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1ccc([N+](=O)[O-])cc1	797744571	JZGYNSNUZZUKIC-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cs1	799519788	TZIFVBKRRRMRLU-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2c(F)ccc(Br)c2F)cc1	799891834	HBPXOWRYJINCEY-KWJWQAOWSA-N	421.241	4.520	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(-c3cccc4cccnc34)cc2)c([N+](=O)[O-])c1	802772995	ZDQQVIKSPPGMGK-UHFFFAOYSA-N	414.421	4.576	50	20	HJGD	
Cc1ccccc1-n1cc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)nn1	806574025	ZJJCUPCZNKXUAM-RIYZIHGNSA-N	400.335	4.524	50	20	HJGD	
O=C(NCc1ccccc1-c1ccc(Cl)cc1)NNc1ccc2c(=O)[nH]ccc2c1	806688991	BVHUHHWXPOWNCE-UHFFFAOYSA-N	418.884	4.675	50	20	HJGD	
CCOc1ccc(NNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	817916057	XXBRNBKRPHWHKG-UHFFFAOYSA-N	421.444	4.913	50	20	HJGD	
C[C@H]1CN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc21	914463968	NUXRGAODSRSYQU-MAGMUUGSSA-N	421.504	4.517	50	20	HJGD	
N#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)cc2)cc1	916305047	VVWKKTRJBZUCPL-UHFFFAOYSA-N	423.394	4.773	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNc1ccc(Cl)cc1[N+](=O)[O-]	917213787	WQRFGYCSBOAEFI-UHFFFAOYSA-N	404.879	4.714	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1csc(-c2ccsc2)n1	920370601	KLPSDDYKNFBUFO-UHFFFAOYSA-N	410.549	4.688	50	20	HJGD	
O=C(NNC(=O)[C@@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2)c1ccccc1Cl	1251938009	KUABILHRWHTEFD-WCJKSRRJSA-N	417.336	4.804	50	20	HJGD	
N#Cc1cccc(NNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)c1	1331222975	RWUBVRZIJLUABH-UHFFFAOYSA-N	403.294	4.674	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccnc(C(F)F)c3)cc2)CCC1	1787018883	YMNAPZPIQJPPAN-MRXNPFEDSA-N	421.875	4.784	50	20	HJGD	
C[Si](C)(C)OCC(=O)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1	1789648610	YASQUQFROMKZDS-UHFFFAOYSA-N	416.638	4.942	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccc(O)cc3)cc2)CCC1	1790508594	LOHLINPGHBWTHE-YWZLYKJASA-N	414.933	4.647	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)n3cccc3)cc2)CCC1	1791783923	BEHBDTAIOXRDHJ-VQIMIIECSA-N	401.938	4.591	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)c1C	208561418	BETUEWGSIQZXFE-UHPUNMKFSA-N	423.542	4.618	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)ccc1OC(=O)c1cccs1	303445448	BNTNZCBNVUMEOV-LGMDPLHJSA-N	424.522	4.674	50	20	HJGD	
CC(C)[C@@H](SCc1ccccc1)C(=O)NNC(=S)Nc1cccc(Cl)c1	727493579	RTBAYILTGRDDAC-QGZVFWFLSA-N	407.992	4.616	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)C[C@@H](c1ccccc1)C(F)(F)F	728605568	DVCPYDKGNUNZFU-INIZCTEOSA-N	409.477	4.864	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)ccc1OCc1ccccc1	734304742	VDCSBKGFILJMPD-OEAKJJBVSA-N	412.489	4.806	50	20	HJGD	
O=C(CCC1CC1)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	734313491	PMEPPRXUILWMGG-UHFFFAOYSA-N	414.505	4.884	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccc(N2CCOC2=O)c1	741765560	GSVJWGDZGVOYPQ-UHFFFAOYSA-N	414.465	4.856	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c(C)c1	743820050	MARTZIBDZZMNEZ-CVEARBPZSA-N	408.354	4.732	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc(OC(F)F)cc3)c2C(C)C)cc1	748644779	TWTLOFXUPDHHCS-UHFFFAOYSA-N	400.429	4.662	50	20	HJGD	
CC(=O)Nc1cccc(COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	749099347	CQWITMABOBZUKI-XKZIYDEJSA-N	407.514	4.760	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C[C@@H]2OCCc3ccccc32)c1C	750813638	QRGCJTHKLWQIDZ-FCKOQQNDSA-N	405.542	4.584	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)ccc1OCC(F)(F)F	750897632	ZEPRYHVUAGULON-XNTDXEJSSA-N	420.387	4.581	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1nnc2n1CCCCC2	752238289	QFBLOYHDGWVACO-GHRIWEEISA-N	401.426	4.769	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2c(F)cccc2Cl)c1C	752380427	OYURLUBBLHOIKM-AXLWBGBUSA-N	417.912	4.889	50	20	HJGD	
CC[C@@H]1C(=O)N(CC)CCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752975633	BPNWSFRSUDZQFL-CYBMUJFWSA-N	401.401	4.819	50	20	HJGD	
O=C(CCCCc1ccc(Cl)c(Cl)c1)NNc1ccc(C(F)(F)F)nn1	755183392	VZFPHCOTCVCWMZ-UHFFFAOYSA-N	407.223	4.658	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)c1C	755376727	JTMUCLBBLDIACG-DEDYPNTBSA-N	419.504	4.908	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2cccn2Cc2cccs2)cc1OC	755566035	LAMRGRZIGQSOII-UHFFFAOYSA-N	411.527	4.549	50	20	HJGD	
CC[C@@H](Cc1ccccc1Br)C(=O)NNc1nc(C(F)(F)F)cs1	758298604	NOWMWEGHTUDVRQ-VIFPVBQESA-N	422.270	4.636	50	20	HJGD	
C[C@@H](C=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)CCC#N	765994511	WCZCRMNPLIWWMC-QGZVFWFLSA-N	410.477	4.656	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	768065110	WNDIDENVSVSRIF-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
COc1cc(C)ccc1Oc1ccc(NC(=O)NNc2nc3ccccc3s2)cn1	769958689	DJFZVDGZPSUZNR-UHFFFAOYSA-N	421.482	4.949	50	20	HJGD	
C[C@H](CBr)CN[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1	770668082	VLLHSYIIOQWDEA-CABCVRRESA-N	407.327	4.689	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCc2ccccc2C1	772930233	VXCVCKUSZQJSCE-UHFFFAOYSA-N	406.376	4.867	50	20	HJGD	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNc1nc3ccccc3cc1C)O[C@@H](C)C2	777479537	ZEUBQDFWKWAPJL-ZAAXVRCTSA-N	417.509	4.512	50	20	HJGD	
CCc1cnccc1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778059515	VANRFAHYASJLJW-UHFFFAOYSA-N	402.410	4.780	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(Cl)cc1Br	779218435	ZHAPTQIXTTVFEM-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2	781365587	XLHCXCZYJOYIEQ-OWBHPGMISA-N	400.413	4.606	50	20	HJGD	
O=S(=O)(Nc1cccc2c1OCCO2)c1ccc(S(F)(F)(F)(F)F)cc1	782910721	MNYMMUCOHPLVPD-UHFFFAOYSA-N	417.377	4.916	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	787152188	WBNRVXXSZRIDMQ-SUCHYCSPSA-N	417.421	4.648	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNc2ccc(Cl)c(OC)c2)c(C)c1	789796344	SWBSGZYQHZWEAK-CYBMUJFWSA-N	421.950	4.629	50	20	HJGD	
COc1cc(NNC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)ccc1Cl	790172220	RIBJFXHBSORWMF-UHFFFAOYSA-N	424.810	4.618	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cc2ccccc2n1Cc1ccccc1F	791070978	UETFKGNMIUEIPT-UHFFFAOYSA-N	422.391	4.633	50	20	HJGD	
Cc1cccnc1NNC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1	791223238	ZNGSPNBGZCLIDB-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3CCC(C(F)F)CC3)cc2)n1	799467019	ZCHMESDCVILWJS-UHFFFAOYSA-N	418.513	4.927	50	20	HJGD	
CCc1cc(C(=O)NNc2cccc3cnccc23)c2c(CC(C)(C)C)noc2n1	800521431	ASRPSRDFOQUTKI-UHFFFAOYSA-N	403.486	4.679	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(OC(F)(F)F)cc1	807065237	BAASMWBIQJFYJD-UHFFFAOYSA-N	406.360	4.528	50	20	HJGD	
COc1cc(NC(=O)NN=CC2CCC(C(F)(F)F)CC2)c(OC)cc1Cl	814997361	LDPKUPBSVZATMR-UHFFFAOYSA-N	407.820	4.833	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2ccccc2c(=O)o1	817013725	ZVCQVNNEUDTPRL-UHFFFAOYSA-N	416.277	4.588	50	20	HJGD	
N#C/C(=C/c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	834681039	ULZMCUDIYQCRQV-VZEGMYIASA-N	416.399	4.809	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1	901357848	RWYBIHOVKMWQKN-SFQUDFHCSA-N	423.563	4.845	50	20	HJGD	
COc1cccc(CO[C@@H](C)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	915273307	BFTFRFJULQZDFT-JTQLQIEISA-N	403.693	4.704	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@@H]1CCSc2ccccc21	915896674	WLWKBQGNRKYRPE-LLVKDONJSA-N	403.722	4.905	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)[C@H](C)c1ccc(F)cc1	916488104	RPWRTWKWYJFGMC-YCCMJLSYSA-N	423.532	4.940	50	20	HJGD	
O=C(NN=Cc1cc(Br)ccc1OC(F)F)c1ccc2ccccc2c1	917546758	GTSJTGMISJQPEB-UHFFFAOYSA-N	419.225	4.968	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c(C)[nH]1	917567677	ATLONDCROPNPRU-UHFFFAOYSA-N	422.488	4.709	50	20	HJGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccc(-c2ccc(Cl)cc2)s1	917572325	VFVQSEGEIHHPIO-UHFFFAOYSA-N	422.897	4.871	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccc(Br)cc2)cn1)c1ccccc1	918320209	VTSYDLUHACZNFF-AWEZNQCLSA-N	412.287	4.741	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1	920064349	DOMJOOIPKJDDON-CPNJWEJPSA-N	400.438	4.738	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3nc(C)c(C)o3)c2C)cc1	920263053	BFSRBQKPACZUGF-NDENLUEZSA-N	419.481	4.748	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)c(F)c2)c1C	1319754949	TVUBBBKWPAFOAZ-MLUPEHFWSA-N	417.912	4.889	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc(C)c(Cl)c3)s2)c(F)c1	1344630665	OUOVTUGTFMIXAK-UHFFFAOYSA-N	405.882	4.985	50	20	HJGD	
Cc1cc(F)cc(CC(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)c1	1791607500	XKXJQRWZJFHWJK-UHFFFAOYSA-N	423.315	4.614	50	20	HJGD	
COc1ccc2cc([C@H](C)C(=O)NNC(=S)Nc3cccc(Cl)c3)ccc2c1	8248091	VITCYEKXVHPQJT-ZDUSSCGKSA-N	413.930	4.623	50	20	HJGD	
CCC(CC)c1nnc(NC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)s1	302890195	DHSUMISRYMHIPG-KPYNCUPYSA-N	415.563	4.613	50	20	HJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	726428388	LKVSDCMCLOOUBF-APVMCDBPSA-N	400.438	4.970	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c2c(c1)C[C@H](C)O2	728437451	DFMDCQQKMMMINT-HFVKVNHUSA-N	412.873	4.535	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cccc(C#N)c2)cc1C	728784390	CGSCNMFMYCCSHK-UHFFFAOYSA-N	419.488	4.792	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3ccnc4cc(Cl)ccc34)c3c2CCC3)cc1	729516287	VSRUAPWAOWUCTL-UHFFFAOYSA-N	417.900	4.628	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c1C	732647544	WSDHGJZAPLVPRN-CPNJWEJPSA-N	422.504	4.717	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@@H]1Cc2cc(F)ccc2O1	740648602	UOMLLKRMCDRXTP-BBRMVZONSA-N	405.800	4.987	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl	742035205	CCBPOKVIWDQICW-KGLIPLIRSA-N	418.107	4.865	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1	743436964	GVDYRMBFMRUTGB-JOCHJYFZSA-N	422.912	4.744	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCc2nc3ccccc3s2)c1C	744388298	MUHMFDILSLSBJU-XMHGGMMESA-N	406.555	4.781	50	20	HJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1	746341001	YXCQCIXDTWLGCQ-OVCLIPMQSA-N	405.281	4.954	50	20	HJGD	
CC(C)COc1cn(-c2ccccc2)nc1C(=O)NNc1ccc(C(F)(F)F)cc1	747609542	ZZRCHGNSUUARSK-UHFFFAOYSA-N	418.419	4.683	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2cccc(F)c2)cc1	748089019	XCMVHZGADCKCNV-UHFFFAOYSA-N	404.420	4.883	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccc(Cl)cc1Br	748203721	UIJKANZSNLPVSV-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)n1	748338563	FZQORTCMLWNMEU-SFHVURJKSA-N	402.882	4.554	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	748561650	YBYGKHXSRCNVPP-IBGZPJMESA-N	401.482	4.623	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nc(CC)n(-c2ccccc2F)n1	748669358	GKBUIWDFYIXITJ-UHFFFAOYSA-N	423.517	4.919	50	20	HJGD	
Cc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)oc2ccc(Br)cc12	748722070	LOOGXYFLHWNYLH-UHFFFAOYSA-N	424.638	4.822	50	20	HJGD	
O=C(NNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1cc2ccccc2o1	749473699	LGFNVAXPAXXCIC-HOTGVXAUSA-N	417.490	4.554	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ncc(C)s3)c2C)cc1	750087213	CXIHSKDLGSUOGG-YDDPGSGASA-N	420.538	4.652	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1C	751354713	GOLIAYJVSKNVSE-JQPIWTQASA-N	405.542	4.624	50	20	HJGD	
CCOC(=O)Nc1nc2ccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)cc2s1	751726190	KIYPGZYTFRLMST-LCYFTJDESA-N	410.430	4.549	50	20	HJGD	
CC(=O)NC1CCC(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752986041	XZJLWVCJYZKUBG-UHFFFAOYSA-N	401.401	4.913	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccc(Cl)c(Br)c1	753658062	GNJBHAGFCFMCER-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	758418747	QZXJPYALWAIZNS-IWTIEGKHSA-N	404.249	4.724	50	20	HJGD	
O=C(Cc1cccc(F)c1)NCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762603499	FOKPZMZNMRCFAL-UHFFFAOYSA-N	412.355	4.781	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(CN2CCC(CO)CC2)c1	763458789	BRSDUVUTJZFIHS-HXUWFJFHSA-N	408.633	4.544	50	20	HJGD	
Cc1cc(Cl)cc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1	763745616	ILQINAUJHHQZBE-UHFFFAOYSA-N	422.259	4.952	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc([N+](=O)[O-])ccc1SC1CCCC1	764271165	KSOWSXMFGXACGL-UHFFFAOYSA-N	414.512	4.996	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1csc(-c2ccc(Cl)c(Cl)c2)n1	765996177	QYMLPXMBAQKXLH-UHFFFAOYSA-N	416.293	4.817	50	20	HJGD	
CN(C)C(=O)Nc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(Cl)c1	767404610	GDJRFBZTNRWGII-UHFFFAOYSA-N	419.671	4.636	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1	768143361	ABFKTZBIPAZGGJ-XDHUDOTRSA-N	408.361	4.743	50	20	HJGD	
COc1ccc(NNC(=O)c2sc(-c3ccc(Cl)s3)nc2C)c([N+](=O)[O-])c1	768336106	VQCPZVKJQZIMRH-UHFFFAOYSA-N	424.891	4.507	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)c2nc(-c3ccccc3)no2)c(OC)c1	768491065	AFSPHPYCXWSLTK-JYRVWZFOSA-N	412.243	4.580	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1cccc(OCc2cscn2)c1	769995110	YNWPHHXHHHQAGT-UHFFFAOYSA-N	424.404	4.769	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc1	771715894	KKBKGDQVTFYTIV-ZBBHCTLUSA-N	419.308	4.537	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1ccc(-c2cccc(OC(F)(F)F)c2)s1	772916613	DQSQYONLVMDOID-UHFFFAOYSA-N	414.796	4.514	50	20	HJGD	
Cc1cc(NNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)ccc1Br	775544589	GILFFRHGNMZILT-UHFFFAOYSA-N	424.320	4.923	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1cc(F)ccc1OC[C@@H]1CCCO1	775611140	WZCCOGPPHLLPDO-HNNXBMFYSA-N	413.371	4.551	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(F)c(F)cc2F)nn1-c1ccc(Cl)cc1Cl	776477349	UHIBVYWGMDUECD-UHFFFAOYSA-N	415.202	4.662	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	782569190	TXMRBDSARBYMKP-ZIAGYGMSSA-N	407.527	4.780	50	20	HJGD	
C[C@@](CO)(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1	782982049	UVRAYIYEXFLRLC-HNNXBMFYSA-N	417.421	4.530	50	20	HJGD	
C[C@H](C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CCCC1	783461468	RAXSJHXQRUCBFS-JTQLQIEISA-N	407.426	4.975	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1	785344132	SIZABFDBWMZCQG-LDADJPATSA-N	417.415	4.692	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(Cl)c2)cc1	787155495	QYFCRORLPDRFLX-ZENNRRHLSA-N	406.816	4.734	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(Br)c(F)cc2F)cc1	787324292	IIAADMMHRONSEK-GHXNOFRVSA-N	407.214	4.672	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	788148425	QJXMBYCXJUJXPY-VQTJNVASSA-N	421.428	4.560	50	20	HJGD	
CC(C)=CCCNC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12	790520816	LTHGCXKVLKNPPD-UHFFFAOYSA-N	402.498	4.511	50	20	HJGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNc1c(F)cc(F)cc1Br	793562374	PANCDHPQHZEBLM-UHFFFAOYSA-N	422.229	4.756	50	20	HJGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC[C@@H](c4ncccc4C)C3)n[nH]2)c1	799112028	YHUCRTYZVCVFDQ-GOSISDBHSA-N	401.514	4.841	50	20	HJGD	
CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2CCO[Si](C)(C)C(C)(C)C	808745417	UJAQDWGKMKGRCS-WCRBZPEASA-N	402.655	4.776	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccc(F)c(F)c1	914516332	JLHMGENXBFITGU-OBXYEHHASA-N	413.468	4.522	50	20	HJGD	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(C)(=O)=O)cc1	916132371	ALEMAAPWDUGBKM-KGENOOAVSA-N	423.563	4.950	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc(O)cc1	916265514	PNDKGWMQOQZKDA-UHFFFAOYSA-N	422.444	4.755	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)c2ccc(N)cc2)cc1C	916540411	VVHOMUWAZZDBEQ-UHFFFAOYSA-N	423.520	4.561	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1occc1CSc1ccccc1	917214676	SOLIWIWQPFFPBG-UHFFFAOYSA-N	403.847	4.890	50	20	HJGD	
CN1/C(=C\C=NNC(=O)c2ccc(F)cc2Br)C(C)(C)c2ccccc21	917549722	ARHJCZFWHXWQGL-ISOQJZRLSA-N	416.294	4.615	50	20	HJGD	
O=C(NN=Cc1cc2ccccc2nc1Cl)c1ccc(F)cc1Br	917552280	FFHYIJRYSLCASL-UHFFFAOYSA-N	406.642	4.554	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	918586795	JLHABAAXUOVKTI-CPNJWEJPSA-N	410.433	4.690	50	20	HJGD	
COCCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	920018322	OJZLIXXOHRYEER-RCCKNPSSSA-N	409.530	4.722	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)S(=O)(=O)c1ccc(Cl)cc1	1116001325	VGDCGASDHWPGJG-WQRHYEAKSA-N	413.838	4.637	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(-n3cnnc3)c2)c(C)n1C1CCCCC1	1121279863	YEDYNBPFPCOAJL-NDENLUEZSA-N	414.513	4.737	50	20	HJGD	
Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@](C)(Cl)CCl)CCC3)cc2)c(C)o1	1787345867	FGRKGXZNMFHMOE-FQEVSTJZSA-N	423.340	4.880	50	20	HJGD	
C[Si](C)(C)OCC(=O)NC1(c2ccc(NC(=O)CCC3CCCC3)cc2)CCC1	1787618535	PJNHFHWQPBJUHQ-UHFFFAOYSA-N	416.638	4.942	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Br)CCC3)cc2)c1	1790284731	BRZFZYWJZXPAOM-OAHLLOKOSA-N	415.331	4.526	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](Cl)CCC)n[nH]1	1815320748	GWOAAXXOIIWORS-NVXWUHKLSA-N	408.974	4.802	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2C)[nH]n1	1820851106	PVRGGWVPCDPSSF-PBHICJAKSA-N	423.344	4.695	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1	1822104151	JZLNYAWIYZFDAC-LSTDLKDCSA-N	423.001	4.882	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1	1824854390	BGSDEUODRZHYMR-VQTJNVASSA-N	422.972	4.582	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1	1824855715	NRSLAVQXGYXECG-HBMCJLEFSA-N	422.972	4.724	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1	1827410085	OFRQOZHHAPNIKZ-IRXDYDNUSA-N	422.978	4.745	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)c(OC)c3OC)n2)cc1	141606887	LYUVRGXCJIXDMX-WJDWOHSUSA-N	408.479	4.909	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2csc(-c3ccsc3)n2)c1C	209260697	DZZQCNYXGQELLK-VGOFMYFVSA-N	411.508	4.783	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NC1CCCCC1	211468528	HCHQRUPLCWEJRL-LGMDPLHJSA-N	407.901	4.948	50	20	HJGD	
CCCCc1oc2ccccc2c1CN(C)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	302609092	XTYDPDOGPPZXED-XDHOZWIPSA-N	414.509	4.860	50	20	HJGD	
CCN1CCC(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	726275534	RCCNRUBNDPPYBK-OAHLLOKOSA-N	409.905	4.759	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H](CC1CCCCC1)c1ccccc1	726280075	PSADSFZGIBFKIK-QHCPKHFHSA-N	416.525	4.891	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(-c2ccccc2Cl)o1	727793335	CSYMAWBFSKOALH-UHFFFAOYSA-N	409.656	4.982	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F	727842831	HBYAOAWTYGSYPO-SECBINFHSA-N	420.218	4.717	50	20	HJGD	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727852240	WHDWWKXJWIINGU-UHFFFAOYSA-N	421.111	4.787	50	20	HJGD	
C#Cc1cccc(N(C(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)C(C)C)c1	728247843	JOZFSGQVRHIMGW-LWUPDDLQSA-N	415.537	4.614	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)c1C	729961231	UUASCHFCBASSGC-MOSHPQCFSA-N	423.557	4.533	50	20	HJGD	
CCCc1ccc([C@@H](NC(=O)NNC(=O)c2cccc3ncccc23)C(C)C)cc1	730112784	IGJCHDDINIAHJS-QFIPXVFZSA-N	404.514	4.529	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)N(CC(F)(F)F)C1CC1	732714822	FUEVSTDCBWGMQV-WOJGMQOQSA-N	400.400	4.726	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)s1	732978355	MWHYKLOKCQNIFL-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NNc3ccc(F)cc3)s2)cc1	733851272	SLGRKDWASPZYGC-CYBMUJFWSA-N	400.479	4.654	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1c(C)nn(CCCl)c1C	733932860	OILFWSVHZKKZCW-GFCCVEGCSA-N	420.941	4.801	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCOC[C@@H]3c3ccco3)c2C)cc1	735025071	LSZDWYRJFCOPGV-XOYGFPHKSA-N	415.493	4.503	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)Cc3c(C)noc3C)c2C)cc1	737667146	UPJRDCFHHOLKAG-GLFIFPSUSA-N	416.525	4.662	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ncccc3C(F)(F)F)c(F)c2)cc1	740087229	LFYWKHDYWMGHLI-UHFFFAOYSA-N	405.351	4.672	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2cccc(C(F)(F)F)n2)n1	740140349	YWZMRUNQRVHQCT-UHFFFAOYSA-N	424.473	4.915	50	20	HJGD	
O=C(NN=Cc1cc2cc(F)ccc2o1)c1cc(-c2ccncc2)nc2ccccc12	741758016	XLXUQWNEHZNUHU-UHFFFAOYSA-N	410.408	4.946	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CCCc2nc3ccccc3[nH]2)c(C)n1CC(C)C	743919446	NTJMOZALXCZXHQ-KGENOOAVSA-N	417.557	4.635	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c2ccccc21	744857253	JPYZPPSZFBCKAW-ATVHPVEESA-N	424.489	4.619	50	20	HJGD	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNc1ccccc1Br	748067925	GPHBWZOWZWNPQN-UHFFFAOYSA-N	420.307	4.701	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1ccc(OC(F)F)cc1	748654570	WBNNAEVJIAQMFQ-UHFFFAOYSA-N	409.845	4.751	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H](C)NC(=O)C1CCCCC1	748667344	LSEBITYECIAMGR-OAHLLOKOSA-N	401.576	4.798	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc([S@](C)=O)cc2)c(C)n1C1CCCCC1	752446280	XSJPWVBUSAAJHT-RCGNYENJSA-N	423.582	4.571	50	20	HJGD	
CC(C)COC(=O)Nc1cccc(NC(=O)NNC(=O)c2cccc3ccccc23)c1	756218998	AMPZJMVDIQPNQY-UHFFFAOYSA-N	420.469	4.511	50	20	HJGD	
CCOc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	759485310	ZXTFEHDIJYQNMZ-BFERYNQYSA-N	415.921	4.910	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)F)c1	766261480	BALJSAOTNMCAGU-UHFFFAOYSA-N	408.619	4.666	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)c1	768228871	DVSVVDYQIZBLIH-UHFFFAOYSA-N	410.474	4.608	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(CN3CCCC3)ccc2C)c1C	769754849	DEBLSDWJUFFUPX-HAHDFKILSA-N	404.558	4.965	50	20	HJGD	
C[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)c1cccc(C(=O)c2ccccc2)c1	775273091	OSAVFCMASMYMQJ-CYBMUJFWSA-N	414.292	4.866	50	20	HJGD	
CC(=O)N(Cc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1)C(C)C	775624197	VINMTXDPQZPYAG-UHFFFAOYSA-N	408.424	4.611	50	20	HJGD	
CC(C)CO[C@@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777995731	CKLKRPHCDYELKZ-GFCCVEGCSA-N	409.442	4.780	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(NC(=O)CC(C)C)c(C)c3)c(C)cc2c1	778476042	AWBMLHOGXOAXBQ-UHFFFAOYSA-N	420.513	4.602	50	20	HJGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cccc(Oc2ccc(Cl)cc2)c1	778509758	WETKGZJOWUGHMC-UHFFFAOYSA-N	406.829	4.538	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OCC(F)F	778518895	SMEKEJZHJNEPPM-FRKPEAEDSA-N	416.380	4.654	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1	782445805	FWLASDIALMHIPZ-FIWMFUAISA-N	412.445	4.525	50	20	HJGD	
O=C(Nc1cccc(Oc2ccccn2)c1)C(=O)NN(c1ccccc1)c1ccccc1	782821056	HJDSQZNVCWFJON-UHFFFAOYSA-N	424.460	4.682	50	20	HJGD	
Cc1cccc2c1OCC[C@H]2OC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	789493207	IEAPVGPKLCFNEY-PVLVKWEJSA-N	420.509	4.566	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3nc(C)sc3c2)c1C	790021586	VJCSZUZFNSYQLX-BBSXFRJVSA-N	408.527	4.776	50	20	HJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cn(C(C)(C)C)nn3)n2)cc1C	790211403	RTGIHOPPYGKZCD-SXGWCWSVSA-N	420.542	4.628	50	20	HJGD	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NNc1cc(Cl)cc(Cl)c1	791739245	JHTMTRSIUFSVSW-QMMMGPOBSA-N	409.239	4.616	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1C(F)(F)F)c1nnc2n1CCCCC2	794869101	GHIIGCWSZILNKW-WQLSENKSSA-N	411.225	4.850	50	20	HJGD	
O=C(NN=Cc1c(F)ccc(Br)c1F)c1c(Cl)cccc1Cl	799879068	OHPFLNOQEAYQOC-UHFFFAOYSA-N	408.029	4.798	50	20	HJGD	
Cc1csc(C(=O)NNc2c(Br)cccc2Br)c1Cl	801503955	PRKUZUGHSFJGOF-UHFFFAOYSA-N	424.545	4.992	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ncc(-c3ccccc3F)s2)c1C	801733150	MLGAWJFINKIELC-GZTJUZNOSA-N	424.501	4.560	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)OCC(=O)c2ccc(C(C)C)cc2C(C)C)cc(C#N)n1C	809301879	DUGMJXOEGMFHDZ-AWQFTUOYSA-N	417.509	4.785	50	20	HJGD	
CCSc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)c1	814143809	ILPHHGDISPPPIK-WCEBZYJUSA-N	411.571	4.648	50	20	HJGD	
Cc1nn(C)c2sc(C(=O)NNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12	817015240	SZJXUYAQHZQZLU-UHFFFAOYSA-N	422.354	4.738	50	20	HJGD	
Cc1ccc(N2C(=O)C[C@@H](C(=O)NNc3cccc(C)c3)[C@@H]2c2cccs2)cc1	912634633	OPPATIOZWLYVSX-DENIHFKCSA-N	405.523	4.602	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1[C@@H](C)c1ccccc1	914459260	PWGCRNZUGMTPLN-MPVQEXEOSA-N	419.569	4.692	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(Cl)nc3)c2C)c1	917724048	DVKVTVCQCZXBKC-JAIQZWGSSA-N	404.901	4.674	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCN2CCCC[C@H]12	918215314	BWWOZEQVFPFVIO-KYOSRNDESA-N	407.889	4.654	50	20	HJGD	
O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918558681	HCZPVJLXEOQHGS-GFCCVEGCSA-N	417.762	4.760	50	20	HJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1	920387783	REQXZVBQWOKIEZ-LZYBPNLTSA-N	405.435	4.862	50	20	HJGD	
CCn1c2ccccc2c2cc(CN(C)C(=O)NNC(=O)c3ccccc3C)ccc21	1115878771	JAXGZVQJLPDBFQ-UHFFFAOYSA-N	414.509	4.609	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(C)(C)C(C)(F)F)cc2)CCC1	1786454928	MDNBTVTYGABLMU-OAHLLOKOSA-N	400.897	4.819	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)Cc3cccs3)cc2)CCC1	1788229108	WEJAKHOKSDMBFO-UHFFFAOYSA-N	404.963	4.690	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccnc4ccccc34)cc2)CCC1	1788891136	MTFXJINVXXSLSN-HXUWFJFHSA-N	421.928	5.000	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(C#N)c3)cc2)CCC1	1790796358	LGPTVHKGGQALEL-HXUWFJFHSA-N	409.917	4.632	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1	1814697205	SASOHSWQZLHERG-MRXNPFEDSA-N	408.974	4.659	50	20	HJGD	
Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)cc1F	1824013057	KEZLILSAJAYMDH-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2)ccc1OC(=O)c1ccc(F)cc1	82068170	DKSOBLILWVEYLK-UYRXBGFRSA-N	401.393	4.843	50	20	HJGD	
CCCNC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1	302914347	UEIYGILWRPUISS-LICLKQGHSA-N	418.415	4.726	50	20	HJGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	727169596	KQOHEZBLRUXVCP-DUPVFGOHSA-N	419.308	4.630	50	20	HJGD	
CC(C)c1noc(-c2ccc(NS(=O)(=O)c3ccc(CCCCl)cc3)cc2)n1	728016419	XZIDSRDXHBXVFM-UHFFFAOYSA-N	419.934	4.832	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(F)c(F)c2F)cnn1-c1ccc(Cl)cc1	728715638	REYBLWCNOMSJSV-UHFFFAOYSA-N	408.811	4.823	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C=NNC(=O)c2cccc(C#N)c2)c1	728780957	CAJDXTYLEICBFE-UHFFFAOYSA-N	423.451	4.622	50	20	HJGD	
O=C(NN=Cc1ccc(Br)s1)c1ccc(Br)cc1Cl	728782618	PWNCBZRONMTRDF-UHFFFAOYSA-N	422.529	4.690	50	20	HJGD	
CN(CCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CCCC1	729622703	VYAHTTHYNNRWQY-OAHLLOKOSA-N	409.905	4.902	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1	732926839	VUKZPFORUBPXJQ-XYOKQWHBSA-N	423.213	4.605	50	20	HJGD	
Cc1ccc(-c2ncc(C=NNC(=O)c3ccc(F)cc3Br)s2)cc1	734298802	MVNGNGNFRGTDGD-UHFFFAOYSA-N	418.291	4.784	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCC(C)(C)Cc2ccccc2)c(C)n1C[C@@H]1CCCO1	735262965	IEGZOLOQUQJHCE-BJYRUZDYSA-N	419.569	4.576	50	20	HJGD	
CC(C)(C)c1cc(CCC(=O)NNc2ccc(Cl)nn2)cc(C(C)(C)C)c1O	735688421	VSKQAOPCRADAQN-UHFFFAOYSA-N	404.942	4.507	50	20	HJGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)Nc2cc(Cl)ccc2Cl)c1	743810423	HGNMZYTYQVSPEW-UHFFFAOYSA-N	403.653	4.514	50	20	HJGD	
CCCN(CCC)C(=O)c1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	747605294	UPAZOANPEMOFSF-UHFFFAOYSA-N	407.436	4.725	50	20	HJGD	
CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752983280	PBZYNJOYPRSMTR-HNNXBMFYSA-N	420.400	4.558	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	754485615	NCWPLLUEUOWYJU-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
CCc1nn(C)c(CC)c1C=NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2	755571779	DRUMMHCKIGOAJF-HNNXBMFYSA-N	400.592	4.521	50	20	HJGD	
CC(C)(C)Sc1ccc(NC(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1	756319178	VPPBPSRYRPYOMM-UHFFFAOYSA-N	410.499	4.699	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2c(C)cccc2Cl)c1C	757681515	ZVDWUARZUVWYNS-WQRHYEAKSA-N	413.905	4.566	50	20	HJGD	
C[C@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)C[C@H](c2ccsc2)O1	759751755	XLOTXZISWVOTLV-WMZHIEFXSA-N	411.507	4.524	50	20	HJGD	
CC(C)(C(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C1CCCCC1	767150483	ZQNNKRDTIQEZGB-UHFFFAOYSA-N	407.440	4.607	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	771708010	WURDZYJDFXQEPG-UHFFFAOYSA-N	409.408	4.962	50	20	HJGD	
Cc1ncsc1CN(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773659719	BAFWMZJRXYEETF-UHFFFAOYSA-N	415.409	4.706	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1cc(Cl)ccc1Sc1ccc(Cl)cc1	775554312	XFOBNTGRDVXHIS-UHFFFAOYSA-N	409.273	4.831	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1	777827380	BGSJURWQVBFLKX-UHFFFAOYSA-N	413.433	4.552	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)Nc2ccc(Br)cc2Cl)cc1C	778233433	KXTNCPQTFFBQFJ-UHFFFAOYSA-N	411.687	4.578	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	778449242	ASUGOVMRIXLCLJ-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1ncc(C2CCCCC2)s1	782823939	BZBYQRGZVUTMPU-UHFFFAOYSA-N	413.330	4.579	50	20	HJGD	
Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NNc1ccc(Cl)c(F)c1	785179204	XAJNUYQRMDRSCM-UHFFFAOYSA-N	409.914	4.511	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1csc(COc2ccccc2)n1)c1ccccc1	787142122	SCVOZYWLFYNJDM-UHWDDTASSA-N	403.507	4.897	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1O	787144004	CNIFNCFDQGWLLE-ZBQKXELDSA-N	405.281	4.882	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc2cnn(C(C)C)c2nc1Cl)c1ccccc1	787144441	JUFWNAPDWCMIMO-RPXHZFJKSA-N	407.905	4.840	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c[nH]cc1-c1ccccc1F	787520876	XFYARQDPBNWDSF-UHFFFAOYSA-N	402.267	4.903	50	20	HJGD	
Cc1cccc2sc(C(=O)NNc3nnc(-c4ccccn4)s3)c(Cl)c12	788567263	YJDDEONYNGCIIF-UHFFFAOYSA-N	401.904	4.534	50	20	HJGD	
CC(C)n1nc(-c2ccco2)cc1NC(=O)NNc1ccc(OC(F)(F)F)cc1	788832085	KEOYOQPBGCXFEC-UHFFFAOYSA-N	409.368	4.771	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccccn2)C2CC2)c(C)n1-c1ccc(F)cc1	790895980	XLHVTEAIGUKNPE-ZHZULCJRSA-N	414.484	4.726	50	20	HJGD	
Cc1cc([C@H]2CCCN2C(=O)/C(C#N)=C\c2ccc(O)cc2)ccc1Br	797768438	OSRUAFIHNYAQSO-MJLBXUHQSA-N	411.299	4.734	50	20	HJGD	
O=C(NNC(=O)N[C@H]1C[C@H](c2ccccc2F)C1)Nc1ccc(-c2ccccc2)cc1	798090104	CGXBRITUHMLCHD-KESTWPANSA-N	418.472	4.775	50	20	HJGD	
CC(CCCOc1ccc(Cl)c(C)c1)=NNC(=O)c1nnc(-c2ccccc2)o1	800811507	XIKPKSPVORSBQW-UHFFFAOYSA-N	412.877	4.663	50	20	HJGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	802071160	SGISJFCDEKKZKJ-SSDOTTSWSA-N	419.696	4.598	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccccc1OC(F)(F)F	807288130	ROUDNAFSOHRYCN-UHFFFAOYSA-N	406.360	4.528	50	20	HJGD	
CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	810438312	SFEGIDBPQPOPCB-GFCCVEGCSA-N	417.444	4.519	50	20	HJGD	
Cc1nc2c(C(=O)NNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2o1	817015123	MGYKHPXCNGRSND-UHFFFAOYSA-N	403.282	4.931	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(C(C)(F)F)cc2)c1C	817462166	HTOUMOXCJBRBNJ-IWEBCOIVSA-N	415.484	4.647	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccnc3Cl)c2C)cc1	819207888	MUPPXDAVCWFDKH-ATVHPVEESA-N	406.873	4.697	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)OCc2nccn2C(F)F)c1C	913041710	WSIKRZYSHZRAJR-WQRHYEAKSA-N	410.424	4.645	50	20	HJGD	
CCCCc1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2)c2cccs2)cc1	916202447	CAPAMIMTBQOWND-OAQYLSRUSA-N	407.539	4.824	50	20	HJGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccccc1	916517987	CMTLGYFIDWJIFQ-GOSISDBHSA-N	405.951	4.550	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=S)Nc1cccc(C(C)C)c1	917572591	UDCKPIQSURLPBO-UHFFFAOYSA-N	410.568	4.873	50	20	HJGD	
N#Cc1cccc(OCC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1	918563773	WPELMQPVZFEPRV-INIZCTEOSA-N	400.809	4.795	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)cc3F)CCC2)cc1	1786447044	NHEAKMYLJBRKIA-GOSISDBHSA-N	418.896	4.687	50	20	HJGD	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CBr)CCC2)cc1	1790447788	IGXQNCCCSGFIRW-INIZCTEOSA-N	421.379	4.898	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1815317849	KFHIBCXUSRUISP-WMZOPIPTSA-N	408.974	4.780	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(Cl)s2)c(C)n1CC(C)C	33417139	HWRSNDQBUJVTDP-PXNMLYILSA-N	404.919	4.809	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)Nc1cccc(F)c1	72054975	JCKJHYYLDJXPNC-UHFFFAOYSA-N	418.403	4.647	50	20	HJGD	
O=C(CCCCOc1ccc(Br)cc1)NNc1ccc(F)c(F)c1F	731225663	KFCRCHHEAQXSMI-UHFFFAOYSA-N	417.225	4.559	50	20	HJGD	
CCC(CC)(C(=O)NNc1nc(-c2ccncc2)no1)c1ccc(Cl)c(Cl)c1	732065673	USVGRQPBTDRLBM-UHFFFAOYSA-N	420.300	4.640	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cc(F)c(F)cc3F)c3c(C)noc3n2)c(C)o1	734553353	JQKKJPKVORMCSF-UHFFFAOYSA-N	416.359	4.582	50	20	HJGD	
Cc1noc(C)c1[C@H](C)C(=O)NNc1c(Cl)cc(Br)cc1Cl	742005247	QKZJVIGZCAYDIY-LURJTMIESA-N	407.095	4.608	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)C1CCCCC1	743056259	SJOGXTPRFDEIEO-KZFLWGQDSA-N	402.922	4.596	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1ccc(SCC(F)(F)F)cc1	743443241	DDGLORZBOREIHU-UHFFFAOYSA-N	411.405	4.585	50	20	HJGD	
C[C@@H]1CC=CC[C@@H]1COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	746463287	PBJUDUTZXOKNAO-HDKBJZGSSA-N	400.482	4.516	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2oc(C(C)C)nc2C#N)c(C)n1C1CCCCC1	746522250	MSTRLPLYHSQSKD-WOJGMQOQSA-N	420.517	4.644	50	20	HJGD	
CCOCc1cc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)ccc1OC	747613162	SKUVDCNZKIOEGF-CXUHLZMHSA-N	414.889	4.748	50	20	HJGD	
Cc1c(NNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-]	748683001	OCQWCXYTAUHOJN-UHFFFAOYSA-N	409.829	4.545	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)cnn1-c1cccc(Cl)c1	761587996	AOCBVOLIZCUSGS-UHFFFAOYSA-N	424.810	4.744	50	20	HJGD	
Cc1c(C(=O)NNc2c(Cl)cc(F)cc2Cl)cnn1-c1ccc(F)cc1F	767402083	LVINDRPRPYDYAT-UHFFFAOYSA-N	415.202	4.662	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C(C)(C)c2ccc3ccccc3c2)c1C	769098285	VRPDBRVOSFBYAR-UHFFFAOYSA-N	411.509	4.730	50	20	HJGD	
CCOc1cc(C(=O)NNc2c(C)cccc2F)ccc1OCCOc1ccccc1	771701218	NKRNVGZPGWQNTI-UHFFFAOYSA-N	424.472	4.748	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)COC2	773670226	QBVQWXGVJSDRBJ-UHFFFAOYSA-N	408.348	4.951	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)Nc1ccnc(Oc2ccccc2Cl)c1	775641061	NLFQOUFFTNYQCH-UHFFFAOYSA-N	406.833	4.619	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccccc1OC(F)(F)F)c1cccs1	779208948	PYGJSGBJBBYXKO-UHFFFAOYSA-N	421.400	4.656	50	20	HJGD	
CCN([C@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)CCCCCl	780807570	VILCRIRUVOGUNW-OAQYLSRUSA-N	408.995	4.965	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1csc(COc2ccccc2)n1)c1ccccc1	787142120	SCVOZYWLFYNJDM-DOIQENQNSA-N	403.507	4.897	50	20	HJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)NNC(=O)Cc1ccc2ccccc2c1	797654504	NFKUMVLNKVVOQK-UHFFFAOYSA-N	410.477	4.606	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]	799757882	NMNQLGDUQRUIOP-UHFFFAOYSA-N	405.454	4.802	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)c1OC	807951346	QVGLVXDAQJPLKB-UHFFFAOYSA-N	415.449	4.584	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1	813080021	WWHMILNOIDKKCM-UHFFFAOYSA-N	404.555	4.580	50	20	HJGD	
O=S(=O)(NC[C@@H](CO)C1CCCCC1)c1cccc(S(F)(F)(F)(F)F)c1	815075224	SFYZADILWQNMLC-ZDUSSCGKSA-N	423.469	4.811	50	20	HJGD	
Cc1c(C(=O)NNc2cc(C#N)cc(Cl)n2)sc2ccc(Br)cc12	815906072	LZLOKHFMQJCVEM-UHFFFAOYSA-N	421.707	4.649	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccccc3Cl)on2)c(C(F)(F)F)c1	816703325	ZFCNSBBPPMHYRI-UHFFFAOYSA-N	411.767	4.779	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCN2CCC[C@H]2C1	915683550	VFWPGTQKQHJDLI-XUJVJEKNSA-N	407.889	4.654	50	20	HJGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1c(-c2ccccc2)n(C)c2ccccc12	915930226	VMDARIARVKCLSQ-UHFFFAOYSA-N	407.477	4.565	50	20	HJGD	
CC(C)(C)n1cc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cn1	915942108	IJAZWUTVINGHGE-UHFFFAOYSA-N	410.905	4.634	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)C(=O)Nc1ccccc1Br	915989709	GGJYVXSWXCGWSR-XFXZXTDPSA-N	411.284	4.513	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2csc(Nc3ccc(C)cc3)n2)c1	916596825	KNLDAEKSKQCRLI-LICLKQGHSA-N	405.479	4.854	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C#N)C(=O)Nc2ccccc2F)cs1	917561384	FFHWSCJLONLMCU-GXDHUFHOSA-N	424.432	4.652	50	20	HJGD	
O=C(Cc1csc(-c2cccc(Br)c2)n1)NNc1ccccc1Cl	919353332	REXVPASVVMEDGL-UHFFFAOYSA-N	422.735	4.912	50	20	HJGD	
Cc1ccc(NNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1Cl	1115949173	ZGGSOEZVHQXPAA-UHFFFAOYSA-N	405.970	4.737	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	1116389964	TVVGLMQQXMMMOM-UHFFFAOYSA-N	422.204	4.685	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(CCCc3ccccc3)o2)c1C	1117231771	WHTAVMYMHFFMDL-OVBDPADQSA-N	404.514	4.935	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2sc(Nc3ccccc3Cl)nc2Cl)cc1	1317705902	OLIFERPLTLYCOD-UHFFFAOYSA-N	421.309	4.966	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(-n3cncn3)cc2)c(C)n1C1CCCCC1	1317786964	IZAFLLITPNXJQP-MOSHPQCFSA-N	414.513	4.737	50	20	HJGD	
CCc1cc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)cc(C)n1	1788839007	JQRZZMREOMXQEQ-UHFFFAOYSA-N	420.340	4.504	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Br)cc2)CCC1	1791434438	JVZXVAVFSMYXSY-YJBOKZPZSA-N	419.363	4.672	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)[C@H](C)CC	1795567920	NKPPHQRIBINDCH-NFOFIHSESA-N	419.009	4.862	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)CC1	1830302528	BXQUDDDSHIFIKT-RTBURBONSA-N	422.013	4.563	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1cccs1	7334710	NHLOMCZCPKDUAY-XDHOZWIPSA-N	404.491	4.559	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1	10387390	DOSXGZCJPQVLBH-VVMUCNELSA-N	412.445	4.525	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc2c(F)cccc2s1	36895197	FXSQLPMYFXNZMK-UHFFFAOYSA-N	420.465	4.547	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)cc1	206737337	IRXSBPNWPONMNK-VGOFMYFVSA-N	401.249	4.866	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)c1	214371543	BTQYEYBHQZOKGN-HKWRFOASSA-N	418.493	4.511	50	20	HJGD	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2[N+](=O)[O-])cc1	301399314	MFNYVDUIGSOFCS-BOPFTXTBSA-N	419.462	4.871	50	20	HJGD	
C=CCOc1ccc(C=NNC(=O)c2cc(F)ccc2Br)cc1Cl	728436455	OYSSONJDGSJRCB-UHFFFAOYSA-N	411.658	4.570	50	20	HJGD	
O=C(Cc1ccccc1F)NN=Cc1ccc(-c2cccc(Br)c2)o1	731321455	IZMZSPAXXAUAMA-UHFFFAOYSA-N	401.235	4.541	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1ccc(SCc2ccccc2)cc1	732837049	SMDWCAQYXZTIEG-UHFFFAOYSA-N	414.328	4.893	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)n1CCC(C)C	733750683	LEYQVQLTUNZSGL-BKUYFWCQSA-N	418.541	4.589	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	733910531	LCFATFFFTNFKJO-FQEVSTJZSA-N	420.944	4.782	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](Cc1ccccc1)c1sccc1C)c1ccccc1	737066039	HCAKJMYZXKHLLY-RTWAWAEBSA-N	421.566	4.865	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc(Br)c1OC	741473175	NQIAAVWTRLLJPX-QPEQYQDCSA-N	413.275	4.500	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNC(=O)c2ccc3ccccc3c2)c1	741672330	GEIXIMWEIRKKCV-UHFFFAOYSA-N	423.900	4.553	50	20	HJGD	
Cc1ccc(NC(=O)NN=Cc2cc3cnn(C(C)C)c3nc2Cl)c(Cl)c1	741765599	HXJSARZKURSIKC-UHFFFAOYSA-N	405.289	4.783	50	20	HJGD	
CCc1noc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)n1	741817302	CYZPFZIOTPQYLI-LSPINASFSA-N	404.470	4.559	50	20	HJGD	
CCCN(C)C[C@@H]1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)C1	742880599	LLHHIDRHPRDXDV-XUVWKZFSSA-N	410.606	4.707	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1	746347023	SCQYNGXNPTURNO-LBPRGKRZSA-N	401.860	4.681	50	20	HJGD	
Cc1cc(C)c(NNC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c(C)c1	747305798	DTGFYYAEEYUFPP-UHFFFAOYSA-N	413.525	4.836	50	20	HJGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748694886	GJQOKFWXWWWTGN-UHFFFAOYSA-N	407.417	4.817	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cnc(-c3cccs3)s2)c1C	751513159	OLOFGQWVXHVFEU-MDWZMJQESA-N	411.508	4.783	50	20	HJGD	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C#N)c(Cl)c1	753301988	FTVUNHNFBFIAIS-UHFFFAOYSA-N	404.879	4.769	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(-c2ccccc2)nn1)c1cccc(C(F)(F)F)c1	754470176	NZIWFXJOWLLBPT-CQSZACIVSA-N	400.404	4.799	50	20	HJGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1	756247101	SZIUUWMNIFFQCS-UHFFFAOYSA-N	421.297	4.603	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccccc1	756301584	WNUFTDTXSYSGTM-FQEVSTJZSA-N	420.538	4.720	50	20	HJGD	
C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)CCCC[C@H]1CCSS1	761247931	FDOYKLLKWPOGES-GXKRZCMTSA-N	406.661	4.973	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=C3CCC(c4ccccc4)CC3)n[nH]2)cc1OC	764800272	MPZWSVPGPQYGBL-UHFFFAOYSA-N	418.497	4.538	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1	767950962	XHOYPCNOGAEOOT-CABCVRRESA-N	406.324	4.600	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(Br)cc1[N+](=O)[O-]	768013874	YTSDUMSRYBSXPL-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
CN(Cc1cccc(NC(=O)[C@H](Br)C(C)(C)C)c1)Cc1cscn1	768085486	JJMCEZWLWMFEAX-INIZCTEOSA-N	410.381	4.523	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)c1ccc(-c2ccc(Cl)cc2)s1	768269812	QKQLXCKTGGHKEI-UHFFFAOYSA-N	417.943	4.709	50	20	HJGD	
CCn1nc(/C=C(/C#N)c2nc(O)c3cc(Br)ccc3n2)c2ccccc21	769728993	VEJHSOLRJDUTFU-XFXZXTDPSA-N	420.270	4.532	50	20	HJGD	
CSc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	770195424	YNWOHNCWAYBUNW-NURJGKTBSA-N	409.555	4.860	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1ccc(OC2CCCCC2)cc1	773696596	FTTMWJZHAOJJRF-UHFFFAOYSA-N	422.312	4.787	50	20	HJGD	
CCC(C)(C)NC(=O)c1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	775532800	YRXPYONSEXRYRN-UHFFFAOYSA-N	408.424	4.772	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(OC(F)F)cc(OC(F)F)c1	775781427	BRTPVOUHVXWOPK-UHFFFAOYSA-N	413.154	4.953	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)n2)c(C)n1C[C@H]1CCCO1	782850687	RPSRZHFCBXVNEQ-QOBZYLRHSA-N	419.312	4.531	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2ccccc2Oc2ccccc2Cl)c1	784885276	MAVGVEZESATQIJ-UHFFFAOYSA-N	413.836	4.662	50	20	HJGD	
C[C@H](NC(=O)COC(=O)CCCC[C@H]1CCSS1)c1ccccc1Cl	786595884	QLAGVMWLAKGTBY-KBPBESRZSA-N	401.981	4.775	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc2cnn(C(C)C)c2nc1Cl)c1ccccc1	787144443	JUFWNAPDWCMIMO-WSDUQJHMSA-N	407.905	4.840	50	20	HJGD	
COc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)sc(C)c1Br	791727170	RMMOURYUPYEGOR-UHFFFAOYSA-N	410.120	4.891	50	20	HJGD	
CCCN(N=CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC(C)(C)C	794998773	VGVGDYZVHBZGBA-UHFFFAOYSA-N	403.523	4.668	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccn3)C2)c(C)n1C1CCCCC1	798717747	JBERZGINGXJNAQ-QCBCRBAMSA-N	402.542	4.928	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1	804197342	ALGRFCUCBNJVFQ-AUUUKSDWSA-N	400.400	4.724	50	20	HJGD	
CC(=O)Nc1ncccc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	813518502	XFXDGOULUGJRNI-UYRXBGFRSA-N	405.502	4.509	50	20	HJGD	
C[C@@H]1C(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)CC[C@H](C(=O)O)C1(C)C	814737145	XXPWFNQSKPNUAO-RHSMWYFYSA-N	419.481	4.738	50	20	HJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1ccc(OC(F)(F)F)cc1	815853524	OMCHZPDIIVTXQV-UHFFFAOYSA-N	403.198	4.721	50	20	HJGD	
COc1cc(F)cc(NNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)c1	815857439	DDQPSXJCUXHAEM-UHFFFAOYSA-N	421.444	4.657	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NNc3ccc(F)cc3F)cc12	876967385	FXJHXFZHGMSGAX-UHFFFAOYSA-N	416.428	4.629	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc3ncccc3c2)c(-c2ccccc2)n1	918587624	NBUUEEDPRGGSDG-ZHZULCJRSA-N	418.460	4.558	50	20	HJGD	
Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)cc1F	1786331998	ULNKLTZPNNWMQB-HXUWFJFHSA-N	420.887	4.735	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)CCl)[C@H]1c1cccnc1	1802901406	BTVRLSFGWUPNLK-YSIASYRMSA-N	422.013	4.569	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)[nH]n1	1815324094	JEYLKOGGEPISIU-KONPQCLYSA-N	408.974	4.636	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccccc3)cc2)C1	1846874667	VRNVTTGLXXNLDZ-NRFANRHFSA-N	410.945	4.578	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1OCc1ccccc1	5069677	MPQOUWVSWDDMEI-XSFVSMFZSA-N	400.482	4.656	50	20	HJGD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3cccc(C#N)c3)c2C)cc1	14178911	XPVVHNUAJFJLPW-FYJGNVAPSA-N	409.445	4.542	50	20	HJGD	
O=C(NN=Cc1ccccc1OC(F)F)c1cc(-c2ccncc2)nc2ccccc12	254706202	LMBCKTWZRNYDAM-UHFFFAOYSA-N	418.403	4.662	50	20	HJGD	
Cc1ccccc1CC(C)(C)NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	303236893	ZZVXIZQFUJWTJD-JXCKLXDISA-N	419.569	4.637	50	20	HJGD	
O=C(NN=Cc1ccc(-c2c(F)cccc2F)o1)c1cc(F)ccc1Br	734364978	OBYLNNDPMCFGBH-UHFFFAOYSA-N	423.188	4.890	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1C	739821136	WVNKWJYZVIKWMM-JAORQVBISA-N	424.520	4.791	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2c2ccc(C)cc2)c1C	741594828	PMMUYCNPYKPRDM-VOGGAGISSA-N	405.542	4.721	50	20	HJGD	
CCN(C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@H](C)C(C)C	743413673	KQJOPKJXJGWYMY-BZNIZROVSA-N	410.889	4.737	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCC(OCC4CC4)CC3)c2C)c1	743784233	DXNMJZYFZXDWPF-HZHRSRAPSA-N	417.553	4.727	50	20	HJGD	
Cc1ccccc1[C@H](CC(C)C)NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	745816850	PEOYKLYCYWXWCK-SFHVURJKSA-N	420.460	4.720	50	20	HJGD	
COc1ccc(NNC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1	746883263	MTPVCZGSXUULHU-ZDUSSCGKSA-N	417.918	4.769	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1cccc(OC(F)(F)F)c1	753949241	XSJOAXJDFKJUJH-SNVBAGLBSA-N	405.323	4.574	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1	756788858	FCCBHAJTQKQLMZ-LJQANCHMSA-N	424.888	4.874	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccccc1NCc1ccccc1Cl	764751615	CPYCNMDRJPDJNF-UHFFFAOYSA-N	409.902	4.714	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2cccc(Cl)c2Cl)nc1	768243796	ZXRLQRKKSAGKNC-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(C(=O)N2CCCCCC2)cc1	769972081	YCPANPLMVMTOBF-UHFFFAOYSA-N	420.435	4.870	50	20	HJGD	
CS(=O)(=O)[C@@H]1CCCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	770652731	LVGWCZVBRNKJBI-GFCCVEGCSA-N	422.441	4.775	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc3ccc(Br)cc3n2)cc1	771522329	ZFSPJAFIFZIGAN-LICLKQGHSA-N	406.283	4.529	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(\C#N)c2cc(SC)ncn2)cc1OC	773172359	NATMZMASQUSDCT-AWNIVKPZSA-N	418.316	4.599	50	20	HJGD	
Cc1ccccc1COc1cccc(NC(=O)C(=O)NNc2cccc(Cl)c2C)c1	773770587	IMXGBUWFCBASJR-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
N#CSCCCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	774293696	ULDYZUOOIWSVKG-UHFFFAOYSA-N	408.310	4.580	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)NNc1cc(Cl)ccn1	778453292	JAFZYWXAXBFZPI-UHFFFAOYSA-N	412.877	4.992	50	20	HJGD	
C[C@@H](CCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCCC1	784470240	AXTYADAGEYEMBN-ZDUSSCGKSA-N	422.485	4.887	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2c(C)nn(C(F)F)c2C)c1C	784996303	HKPPNJXCZXZTMN-VCHYOVAHSA-N	404.461	4.764	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1	785254151	GZWQRWHLTIWNAO-AQRZYSDFSA-N	413.452	4.862	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccccc2SC)c1C	791901130	XTFYBVCWPLNXQG-KKJJZKEWSA-N	411.571	4.600	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1	792872536	OVXLEJGZNZDKHS-NRFANRHFSA-N	400.643	4.712	50	20	HJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@]2(CCOC2)O1	797645647	SNOADGSSMLBJPI-XHDPSFHLSA-N	402.385	4.756	50	20	HJGD	
CCn1ncc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1C(F)(F)F	798542889	LIEVYSSKVBRLQL-LICLKQGHSA-N	421.467	4.932	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ncccc1Oc1ccccc1	799706079	VJKONQIDGGQSKR-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	799890661	UEQHUELAHKQNKD-CHHVJCJISA-N	411.870	4.506	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccccn3)c2C)cc1	802706086	BIUDSCVKQYBYNX-UHFFFAOYSA-N	419.529	4.607	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCC(F)F	809147397	NKFRNSLHQDXCSS-NTUHNPAUSA-N	422.815	4.547	50	20	HJGD	
Cc1cc(NC(=O)NNc2ccc(F)cc2Br)nn1C1CCCCC1	810301083	PTRQNYXEWGDMAJ-UHFFFAOYSA-N	410.291	4.747	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1occc1CN1C(=O)Cc2ccccc21	812764904	MHEIPJGOECFPQX-UHFFFAOYSA-N	403.482	4.558	50	20	HJGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1	912776464	DJRBORIBNZDXCQ-LTGZKZEYSA-N	419.484	4.995	50	20	HJGD	
CC(C)c1ccc([C@@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C(C)C)cc1	915931621	YCTPTVMQRUJIIN-QFIPXVFZSA-N	404.514	4.700	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1cc(Br)cs1	916294789	HIVWQJWAGZGYRG-UHFFFAOYSA-N	415.312	4.707	50	20	HJGD	
C[C@@H]1CCC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	918439588	SYORHASQQVTZPS-QFSBIZTOSA-N	422.900	4.882	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1C	920006099	HUMHHKHCLRANQX-RGEXLXHISA-N	406.530	4.589	50	20	HJGD	
Cc1noc(C)c1CNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	920279259	OZUALUKIGWQQGY-GIJQJNRQSA-N	408.889	4.576	50	20	HJGD	
Cc1sc(-n2cccc2)c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c1C	1253428128	PTMIXQFTTFOIHI-UHFFFAOYSA-N	404.417	4.803	50	20	HJGD	
Cc1ccc(NNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1Cl	1322424702	ULYJCQAFFJDVHC-NRFANRHFSA-N	407.901	4.653	50	20	HJGD	
C/C=C/C(=O)NC1(c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3F)cc2)CCC1	1791139666	GVDGQZWNCKGXPJ-FJABQVMRSA-N	421.447	4.582	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)C3CC(C)(C)C3)CCC2)cc1	1791363885	WWXMVNHYUQPOKD-QGZVFWFLSA-N	421.379	4.730	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc4occc4c3)CC2)C1	1806160098	SDCSIQXTPUMALP-LJQANCHMSA-N	416.949	4.685	50	20	HJGD	
C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCCCCCCl)[nH]n1	1821876914	SNMVTVUQEMEHSB-LJQANCHMSA-N	420.985	4.785	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)ccc1OC(=O)c1ccccc1Cl	14178404	PHNDPOWUKAPDBE-FOWTUZBSSA-N	424.884	4.534	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1C	16793149	GIZUWVDNOYWLHO-IOVUBPJKSA-N	407.514	4.609	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)c(Br)cc1O	72042024	BOFCMFRVZJLELA-CHHVJCJISA-N	415.287	4.634	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1C	302900810	RUDCRISRYOUGDK-YVLHZVERSA-N	413.905	4.875	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(c3cccc(C)c3)CCCC2)c1C	727340453	ARGGTMRSJKZXTB-JWGURIENSA-N	405.542	4.552	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)c1sc2cc(Cl)ccc2c1Cl	727716822	FPCQWDGDRLYLLS-UHFFFAOYSA-N	407.322	4.992	50	20	HJGD	
CC(C)c1ccc(C=NNC(=O)c2ccc(Br)cc2Cl)cc1[N+](=O)[O-]	728782950	UBTLLQDCJLITHS-UHFFFAOYSA-N	424.682	4.898	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccc(COc2ccc(Cl)cc2)cc1	730289198	BZMHKIBATJHLLE-UHFFFAOYSA-N	403.869	4.646	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c(Cl)c1OC	730429452	DSYGWXCPJLLCJI-UHFFFAOYSA-N	411.889	4.529	50	20	HJGD	
COc1ccc(Cl)cc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	731478683	JFKRMUVZJNKWLC-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
CC[C@@H](C)CN(C)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	731998713	ZUUYSUJVUMBSBU-YAJBTMAUSA-N	409.921	4.529	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	740760862	CRIJANRQWDNZIJ-UHFFFAOYSA-N	424.976	4.868	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)c1nc2c(C)ccnc2[nH]1	741469144	IZAHZPWHGBKTOP-YVLHZVERSA-N	402.889	4.846	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F	741669919	RUYNDEVVEZYUTK-SNVBAGLBSA-N	401.772	4.904	50	20	HJGD	
C[C@@H](O)[C@@H](C)SCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	742460723	YMSFUINMBKGUEU-HUUCEWRRSA-N	410.461	4.575	50	20	HJGD	
Cc1ccc(SCC(=O)NN=Cc2c(-c3ccccc3)nc3ccccn23)cc1	744755325	PJVZOUWUAGZSHT-UHFFFAOYSA-N	400.507	4.552	50	20	HJGD	
Cc1nccn1CCCN(C)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	747024630	QWGPJAWFDSNTTH-JWGURIENSA-N	407.562	4.571	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2ccccc2cc1NC(=O)C1CC1	747590655	BWECSPGULRRFRK-UHFFFAOYSA-N	413.399	4.964	50	20	HJGD	
COc1ccc(CN(C)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cn1	748521638	XPZULUWOZUKBOA-HNNXBMFYSA-N	419.856	4.973	50	20	HJGD	
Cc1cc(CNC(=O)NNC(=O)c2cc3c(s2)CCCCC3)c2[nH]c(C)c(C)c2c1	749016301	YKLGNHVAUQZKLK-UHFFFAOYSA-N	424.570	4.568	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c(OC)c1	760807497	PIZDYWLFWBECCM-ZSOIEALJSA-N	415.287	4.629	50	20	HJGD	
O=C(NCCCC(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762668352	YQLOHRNEUIQBLJ-UHFFFAOYSA-N	400.291	4.741	50	20	HJGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ccc(OCc2cccnc2)cc1	767034328	WHZIGMKHGLQHDC-RDTXWAMCSA-N	405.336	4.647	50	20	HJGD	
COCCOc1ccc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	769845324	CYXOSTPAYPPZRN-GICLCMKGSA-N	412.536	4.714	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c2cccc(Cl)c2F)c1C	770144030	GMISCXGXKARPDD-ATVHPVEESA-N	417.912	4.502	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c3ncc(C)o3)c2C)cc1	770903659	VXEOJLZHVOTLQP-WAKXPGHKSA-N	405.454	4.611	50	20	HJGD	
N#Cc1ccccc1Oc1ccccc1C(=O)NNc1ccc(Br)cc1	778391457	LZJPOBHEUXORSR-UHFFFAOYSA-N	408.255	4.870	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1c[nH]nc1-c1cc2ccccc2o1	781921825	XZFHKAPPBZKESF-UHFFFAOYSA-N	419.510	4.578	50	20	HJGD	
Cc1[nH]nc2ncc(NS(=O)(=O)c3ccc(S(F)(F)(F)(F)F)cc3)cc12	782930123	SPZKFKWSZGJIAV-UHFFFAOYSA-N	414.381	4.725	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ncc(-c2cccc(Br)c2)o1	785360949	DUAPHFXDHRBDTR-SXGWCWSVSA-N	409.239	4.754	50	20	HJGD	
Cc1ccc(F)c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c1Br	787463694	FPJZKDUEESOKAI-UHFFFAOYSA-N	416.172	4.544	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(Br)cc1NC(=O)Cn1cccn1	787959241	LIAHIDPPDXQAKT-UHFFFAOYSA-N	424.415	4.806	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(OC)cc1OC(C)C	789849940	LIHGCAIIWGEKPH-UHFFFAOYSA-N	407.308	4.564	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc(O)ccc1C(F)(F)F	793711184	XRDDNPBDVJZWDD-UHFFFAOYSA-N	409.589	4.584	50	20	HJGD	
CC(C)CCC[C@@H](C)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	797612204	UDNPDAOAPAMMKG-CBAAQYGVSA-N	403.530	4.702	50	20	HJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1ncnc(Cl)c1C(C)C	798141674	DMUIGJPPQYWKIM-UHFFFAOYSA-N	402.907	4.747	50	20	HJGD	
N#C/C(=C\c1csc2ccccc12)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	810208785	GBTOBFQWVKKDEE-NTUHNPAUSA-N	419.487	4.982	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1noc2c1CCCCC2	817015917	XECGSWYPOBZVFO-UHFFFAOYSA-N	407.314	4.738	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1	849210129	COBXFFVFHAIPBY-HLILLCKBSA-N	424.500	4.740	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1OC(F)F)S(=O)(=O)c1ccc(Cl)cc1	915984866	LRMSQZWZGKHFFS-RIYZIHGNSA-N	404.221	4.933	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc2OC)o1	918712768	BTFLAJAGRQKSLG-MHWRWJLKSA-N	411.454	4.566	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2nc(-c3ccccc3)oc2C2CC2)c(Cl)c1	1116938734	WNVLJMPSRUYYQL-UHFFFAOYSA-N	410.861	4.647	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3onc4ccccc34)CCC2)cc1	1790490045	QKRPHBHRSJZBPS-KRWDZBQOSA-N	411.889	4.593	50	20	HJGD	
Cc1cnoc1C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845125050	IZCUYNGAZPQFRH-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cs1	7158537	IACQVNYVZCSULX-SFQUDFHCSA-N	402.479	4.682	50	20	HJGD	
O=C(COC(=O)CCCC[C@@H]1CCSS1)Nc1ncc(Cl)cc1Cl	11384141	PJZGPYTXNFQFAC-LLVKDONJSA-N	409.360	4.584	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12	17473896	CZMNAQCSLWLNDD-KNTRCKAVSA-N	408.461	4.946	50	20	HJGD	
COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	209993955	YRJADOSHJXHFIS-JYRVWZFOSA-N	420.437	4.573	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)cs1)C1CC1	217203030	DAUBSDMTOAUUMX-WDZFZDKYSA-N	400.916	4.986	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(-c2ccsc2)nc1C	726198072	BOTBAQIXQBCWQI-UHFFFAOYSA-N	410.568	4.621	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)/C=C/c2cccc(OC3CCCC3)c2)c1C	727864455	KRRIMZQRXDAUMW-BUHFOSPRSA-N	409.555	4.656	50	20	HJGD	
CCOc1ccccc1[C@@H](CC(=O)NN(c1ccccc1)c1ccccc1)NC(C)=O	728229182	IGVSUMAVJFTCKX-HSZRJFAPSA-N	417.509	4.522	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	728749932	MCHLGYVREUYLIE-SFHVURJKSA-N	408.329	4.849	50	20	HJGD	
COc1ccc(O)c([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	729534866	DZWNVQMYPNIFLF-SYERDGIWSA-N	409.530	4.650	50	20	HJGD	
CCCOc1ccc(Br)cc1C=NNC(=O)c1cccc2ncccc12	730147241	PXZGSMFGMNRDGM-UHFFFAOYSA-N	412.287	4.550	50	20	HJGD	
CC(C)(C)OC(=O)NCC1(NC(=O)CCCC[C@H]2CCSS2)CCCC1	732130805	PJFUTPNGACRCBE-HNNXBMFYSA-N	402.626	4.654	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2csc(COc3ccc(C)cc3)n2)cc1	734305057	GRBCOZNPORJDPI-ODLFYWEKSA-N	403.507	4.562	50	20	HJGD	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NNc3cc(F)c(F)cc3F)c12	734551895	GDDSGZLSIGXXCA-UHFFFAOYSA-N	418.419	4.863	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(CCC#N)Cc3cccnc3)c2C)c1	741937811	WVGIQYOLRGRGHA-BUVRLJJBSA-N	423.520	4.647	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	742516976	UBKQLIONIGATEQ-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c(C)n1C[C@@H]1CCCO1	745773121	IZXYJPXHAMRACN-OCVSAFOWSA-N	417.553	4.801	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(COC(C)(C)C)c2C)c1C	747346695	SBLXHOALMREHOT-HMAPJEAMSA-N	423.557	4.921	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccc(C2SCCS2)cc1	748073565	LAAGIRRUDOJSLS-UHFFFAOYSA-N	413.337	4.824	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1ccccc1C(=O)c1ccc(Br)cc1	748091303	OZLZPXHPVYVCBG-UHFFFAOYSA-N	413.246	4.576	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752983641	QAWBGSZXGVWXPZ-UHFFFAOYSA-N	416.759	4.859	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2cc(F)cc(F)c2)c(C)n1C[C@H]1CCCO1	755400314	QPUIMYIVJKYQHR-IIFAWINSSA-N	414.452	4.774	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1cc(F)ccc1SCC(F)F)c1ccccc1	756670873	BPUMXNBEXDPRIC-AWEZNQCLSA-N	411.449	4.529	50	20	HJGD	
CCn1cc(C(=O)NNc2c(Cl)cccc2Cl)c(=O)c2cc(Cl)ccc21	758353732	HLNOMTKVOHYQST-UHFFFAOYSA-N	410.688	4.739	50	20	HJGD	
CCCc1noc2nc(C3CC3)cc(C(=O)NNc3ccc(OC(F)(F)F)cc3)c12	761585554	ZISGZLUZJBNODO-UHFFFAOYSA-N	420.391	4.708	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(C(=O)NN=c2cc[nH]c3ccccc23)cc1Cl	762246570	GLMJTHWDTSXQFZ-UHFFFAOYSA-N	414.852	4.731	50	20	HJGD	
O=C(NCCCOc1ccccc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762635861	RGGBZOMOTDPHCM-UHFFFAOYSA-N	424.391	4.868	50	20	HJGD	
Cc1cc(Br)cc2cc(C(=O)NNc3ccc(-c4ccccc4)nn3)oc12	768424792	IFHHYYMMUYANCL-UHFFFAOYSA-N	423.270	4.718	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccccc1OCc1cccc(Cl)c1	770033924	HSXKQMALVYLRCD-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1	770063203	YILNJIFRGLAHQJ-UHFFFAOYSA-N	418.881	4.619	50	20	HJGD	
FC(F)(F)[C@@H](Cl)Sc1ccccc1NC1CCN(c2cnccn2)CC1	777622194	SZLIKPHLUUGHOV-INIZCTEOSA-N	402.873	4.777	50	20	HJGD	
CC(C)[C@@H]1C[C@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO1	778055323	PTXAUSUWCYZWHH-RISCZKNCSA-N	409.442	4.826	50	20	HJGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccc(Br)cc2C(F)(F)F)CCO1	780496270	NPYCIPQUPSBDAE-JQWIXIFHSA-N	409.246	4.506	50	20	HJGD	
N#C/C(=C/c1cccn1Cc1ccccc1C#N)C(=O)c1ccc(OC(F)F)cc1	782197589	UAIOJJVAFOORBB-UNOMPAQXSA-N	403.388	4.799	50	20	HJGD	
CCCn1cc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)ccc1=O	782909711	BZEWEHPYODYIMV-UHFFFAOYSA-N	418.409	4.717	50	20	HJGD	
CCN(CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782979782	LGCGNJLDHDVSSH-ZDUSSCGKSA-N	422.485	4.696	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2csc(-c3ccc(C)cc3)n2)cc1	787155518	RPZBUEOFBRMABY-QUYZQLMHSA-N	403.507	4.912	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1nccn1CC(F)(F)F)c1ccc(Cl)cc1Cl	787179447	UPNIPTVKNDQDDP-VUUNSECVSA-N	417.218	4.537	50	20	HJGD	
N#C/C(=C\c1ccccc1OCC(=O)N1CCCC1)C(=O)c1cc2ccccc2s1	788329725	YALKGNNSDCAUNK-CPNJWEJPSA-N	416.502	4.692	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Cl)c(OC)c2)cnn1-c1ccccc1Cl	790180135	GJSOBYOYVQZZAP-UHFFFAOYSA-N	405.285	4.507	50	20	HJGD	
O=C(Cc1csc2ccc(Br)cc12)NNc1cc(F)c(F)c(F)c1	792266559	JTYUNBPLNLCEAG-UHFFFAOYSA-N	415.234	4.767	50	20	HJGD	
C[C@@H]1CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C[C@]2(CCO[C@@H]2C)O1	792880577	GOCQHMWWBPSSHD-PWHSHALESA-N	405.655	4.977	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccccn3)c2Cl)c(C)c1	794689413	BLMNOJBRJGBAHX-BOPFTXTBSA-N	405.889	4.700	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)cc1OCC	794880834	AUVQISGUUNQGGN-WNLSXJKCSA-N	422.319	4.539	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nnc3ccccc3n2)c(C)n1C1CCCCC1	798517437	CVGQWLKHDVSIKS-UYRXBGFRSA-N	415.497	4.599	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(/C#N)S(=O)(=O)c3cc(Cl)ccc3Cl)s2)cn1	800791433	ONTIPWYGZLAHJM-AUWJEWJLSA-N	424.334	4.794	50	20	HJGD	
O=C(NN=Cc1conc1Cc1ccccc1)c1ccc(-c2ccc(F)cc2)s1	814769500	AXEWHOIEEMMHCV-UHFFFAOYSA-N	405.454	4.897	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(C)n1C[C@@H]1CCCO1	844145617	BDOGWKCJBJANTD-GJHVEBGPSA-N	421.516	4.694	50	20	HJGD	
CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cc1	878640135	FSAXYYQCACROBC-HNNXBMFYSA-N	423.865	4.562	50	20	HJGD	
CC(C)CC[C@@H](C)NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	915885743	IXBCVIZRMSKZKT-QGZVFWFLSA-N	404.514	4.671	50	20	HJGD	
Cc1nc2sccn2c1C=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	916306864	DWSUMKPEGDIEAY-UHFFFAOYSA-N	424.913	4.701	50	20	HJGD	
Cc1ccccc1C(=O)NN=Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl	916362182	ULANCGOUDCKOTB-UHFFFAOYSA-N	401.297	4.619	50	20	HJGD	
O=C(CCOc1ccccc1-c1ccccc1)NNc1ccc(Cl)cc1[N+](=O)[O-]	918595233	LWHPINNENUMEHI-UHFFFAOYSA-N	411.845	4.827	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1	1786076931	XKAXHPGVKRQMNP-QRWLVFNGSA-N	409.357	4.713	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCBr)CCC3)cc2)s1	1787280825	UKKBXOLTOOKMCX-UHFFFAOYSA-N	421.360	4.589	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1	1790468978	XKAXHPGVKRQMNP-MGPUTAFESA-N	409.357	4.713	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](F)Cl)[nH]n2)CC1	1822099197	HOWOMAQXWBGTLQ-DNUAJFIVSA-N	412.937	4.543	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1OCC	7159093	DGMMUOOXLYSLGD-LFIBNONCSA-N	400.910	4.910	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3C)c2)cc1	23215062	ULEGZOXFDGPEHQ-XSFVSMFZSA-N	411.461	4.802	50	20	HJGD	
Cc1ccc(-c2nnc(SCC(=O)/C(C#N)=C3\Nc4ccccc4S3)o2)c(C)c1	727268209	KGIWTJCFQOWPOT-HMMYKYKNSA-N	420.519	4.968	50	20	HJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	727791349	BOUCGBMEWXBREW-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccc2)c2cccnc2)c(C)n1CC(C)C	728493737	ZXOHMXJQKPSDCT-KXERKJKRSA-N	412.537	4.969	50	20	HJGD	
CC(C)(C)c1nc(C=NNC(=O)c2ccc(Br)cc2Cl)cs1	728782163	HMESOMLCLJQURQ-UHFFFAOYSA-N	400.729	4.620	50	20	HJGD	
Cc1ccccc1N(C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)C(C)C	729832197	SKCHOHAWBLGWRY-DZSAKIAFSA-N	405.542	4.941	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cccc(OCc3ccccc3C#N)c2)cc1	731317888	FJNQQEORCJVTGX-OYKKKHCWSA-N	414.486	4.784	50	20	HJGD	
O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)NNc1nc(-c2cccnc2)no1	732111021	XBEIDEITQROSEZ-NTMALXAHSA-N	423.885	4.670	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccccc1F	732576901	BJELBLCTNXWCND-ATVHPVEESA-N	419.383	4.982	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](N3CCCC3)CC2)c(C)n1CCC(C)C	737691193	INADSVOTFRMALR-YVJFHRMNSA-N	410.606	4.535	50	20	HJGD	
O=C(CSCc1ccc(Cl)cc1Cl)NNc1cccc(C(F)(F)F)n1	740137631	BIBMANBMXVGBBO-UHFFFAOYSA-N	410.248	4.784	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1	744569489	CWWXNKZCGBVXIL-CXDFQFJYSA-N	403.438	4.655	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c(C)n1C[C@@H]1CCCO1	747198065	SSNXQCOIRNHKPQ-MUENCVHTSA-N	422.554	4.647	50	20	HJGD	
CC(C)c1csc(/C(C#N)=C\c2cn(C)nc2-c2ccc3c(c2)OCCCO3)n1	747437224	RNKCKXAWOHLJEL-SXGWCWSVSA-N	406.511	4.892	50	20	HJGD	
O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NNc1ccc(Cl)cc1Cl	748008718	USAIUENTRPQJRF-UHFFFAOYSA-N	404.084	4.634	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNc3ccc(F)cc3Br)c2)n1	748074549	DOCHKNIMADQAMK-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1ccc(Br)cc1F	748203735	KBXBDFXOJUKEAE-UHFFFAOYSA-N	418.266	4.709	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)CCc1nc(C)c(-c2ccccc2)o1	748731775	ORPIPVBZGSNHQC-UHFFFAOYSA-N	414.303	4.797	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(C)c1	756281602	ZLRIJOLJUTVCEV-OAHLLOKOSA-N	410.543	4.762	50	20	HJGD	
CC(C)c1nc2cc(NC(=O)NNC(=O)CSc3ccc(Cl)cc3)ccc2o1	756618439	QIIUBGJLTQLHQC-UHFFFAOYSA-N	418.906	4.550	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(C(=O)Nc2ccccc2)cc1	759681210	PVQVVADMVRGPMI-UHFFFAOYSA-N	417.362	4.854	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)c(=O)n(C)c2)c(C)n1C1CCCCC1	760938301	UUXKTUZLQAHJPN-YVLHZVERSA-N	412.921	4.508	50	20	HJGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762411628	VSOIYKZWLIRUJQ-GFCCVEGCSA-N	423.407	4.914	50	20	HJGD	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@@H](Br)C(C)(C)C	767035466	HNNUDTURZYTBTM-QGZVFWFLSA-N	409.368	4.615	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)[C@H](Sc1ccccc1)c1ccccc1	771554103	VWPKQSDOLBENLO-GOSISDBHSA-N	414.328	4.821	50	20	HJGD	
CO[C@@]1(C)C[C@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1(C)C	773354200	WBRQLAHEFMNGBV-LRDDRELGSA-N	416.412	4.602	50	20	HJGD	
CCCN1C(=O)CCc2cc(NC(=O)/C(C#N)=C/c3cc(C)n(CCC)c3C)ccc21	774004766	JMXIVIJMOGUJEG-KGENOOAVSA-N	418.541	4.750	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3ccsc3)CC2)c1C	777081102	MYLIMHUAZFSJNN-SLCIXIPPSA-N	411.571	4.687	50	20	HJGD	
CCO[C@H]1C[C@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C12CCC2	777974170	ZPUJKTIXOSWBQO-KBPBESRZSA-N	421.453	4.970	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)NNc3cccc(Cl)c3)cccc21	778387576	FCZZLIQOOYQBQJ-UHFFFAOYSA-N	401.894	4.785	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1ccc(-c2cccc(OC(F)(F)F)c2)s1	781820329	VLGKTYODMXUCOR-UHFFFAOYSA-N	414.796	4.514	50	20	HJGD	
C[C@@H](O)c1ccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	782978531	BESQOXDDLPGTJH-LLVKDONJSA-N	417.421	4.876	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)c(-c2ccccc2)n1	788356372	VZYOXZXQMPTCIO-QGOAFFKASA-N	418.403	4.855	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc3ccc(OC)cc3c2)c1C	790240009	RKZBANLDOIAOLB-SXOHWRJOSA-N	418.493	4.987	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3cccnc3)ccc2C)c1C	794092588	LDJZZVDYSBGOHJ-QRVIBDJDSA-N	414.509	4.667	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)CSc1nncn1-c1cccc(Cl)c1	794948086	HQIDUAMFNGPYSN-UHFFFAOYSA-N	415.950	4.588	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2c(OC(F)F)ccc3ccccc23)cc1	797314440	NOMBSXSPIHDXQD-SFQUDFHCSA-N	408.404	4.673	50	20	HJGD	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2nccnc2C2CCC2)c1	805470287	WOAJLJAKADVBID-UHFFFAOYSA-N	415.925	4.529	50	20	HJGD	
CCC[C@H](C)NC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	915887339	YTCIZIFTMMBGHE-KRWDZBQOSA-N	405.498	4.551	50	20	HJGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1ccc2c(c1)Nc1ccccc1S2	916274361	PFFAGKGWOPXEDK-UHFFFAOYSA-N	413.506	4.785	50	20	HJGD	
COc1cccc(C=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1OC(C)C	916336520	HRWIWIHRUYYEKY-KRWDZBQOSA-N	406.482	4.553	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1C	916480061	DLAUQIPHGYMLNF-STZFKDTASA-N	420.557	4.979	50	20	HJGD	
CCC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccccc1	917369278	BFMOKPHRBYSBAQ-NIEXSRPFSA-N	405.542	4.849	50	20	HJGD	
Cc1nc(N2CCCCC2)sc1C=NNC(=O)c1ccc(OCCC(C)C)cc1	1318440640	CVPHVAPZPWIODR-UHFFFAOYSA-N	414.575	4.631	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cccc4c[nH]nc34)cc2)CCC1	1788451179	AXADHOOISNEZSG-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cc2cccnc2s1	1788584340	UZHCKRNHEVRWGZ-MRXNPFEDSA-N	417.893	4.578	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Br)CCC2)cc1	1789456229	MKPLRKYNTOKWOS-IRXDYDNUSA-N	423.326	4.579	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(Cl)c3)CCC2)cc1	1790486132	TZOFWVBQVRKUNW-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(O)ccc3F)cc2)CCC1	1790642704	PQILCPJPRLZCDK-GOSISDBHSA-N	418.896	4.687	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1	1817827132	SBGQYWYAQUTJPA-GXTWGEPZSA-N	420.922	4.541	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CC)c2ccccc2)CC1	1826311970	OJEQKRVIDZUSNZ-FDFHNCONSA-N	419.009	4.817	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	23702005	LQNSPNKQDACCLQ-XDHOZWIPSA-N	410.476	4.970	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1C	108520372	MXJCNFMDBNIQGJ-QUYTYNJFSA-N	403.530	4.812	50	20	HJGD	
O=C(CCC(=O)c1ccc2ccccc2c1)NNC(=O)c1c(Cl)cccc1Cl	727806264	SBVHMSIVACNCAJ-UHFFFAOYSA-N	415.276	4.571	50	20	HJGD	
C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	728891210	MUIBNJBJHXQSHM-WBVHZDCISA-N	414.587	4.884	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@H](c1ccc(Cl)cc1)C1CCCC1	729616478	ZVMKLFYVGMPOEO-NRFANRHFSA-N	422.916	4.764	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)c(C(=O)O)o3)cc2)cc1	729937079	LGTINYVPZFIPRO-LDADJPATSA-N	416.433	4.719	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1cccc2ncccc12	730146054	COSXGALRMZTFKI-UHFFFAOYSA-N	423.501	4.913	50	20	HJGD	
O=C(NN=Cc1ccc(OC(F)F)c(Cl)c1)c1ccc(COc2ccccc2)o1	731486908	ZCBXBAPQEUAPPL-UHFFFAOYSA-N	420.799	4.877	50	20	HJGD	
Cc1nc2c(s1)[C@H](N(C)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)CCC2	732033079	AMTXFSNDLBGGMY-ZNQKWNQWSA-N	410.587	4.969	50	20	HJGD	
COc1cc([C@H](C)NC(=O)NNc2cc(F)c(F)cc2F)ccc1OC1CCCC1	734658721	UXIYXMXWTFSFNV-LBPRGKRZSA-N	423.435	4.821	50	20	HJGD	
O=C(NN=Cc1cc(Br)ccc1OC(F)F)c1cccc2ccccc12	741462572	KAOSMMUOMWNDHA-UHFFFAOYSA-N	419.225	4.968	50	20	HJGD	
N#CCc1ccc(Oc2ccc(C(=O)NNC(=O)c3cccc4ccccc34)cc2)cc1	741581601	BDGXJGFQIUDEHE-UHFFFAOYSA-N	421.456	4.773	50	20	HJGD	
COc1ccc(Cl)c(NC(=O)NNC(=S)Nc2cc(Cl)cc(Cl)c2)c1	741865741	UAKZLWOIOLGJLS-UHFFFAOYSA-N	419.721	4.679	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2OC(F)F)c1C	742006559	MBCRYYYASGJNGB-WJHGTXIHSA-N	421.419	4.599	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1	746524561	CUZAWFKOJBIZCH-CAPFRKAQSA-N	411.461	4.883	50	20	HJGD	
CC(=NNC(=O)COc1ccc2ccccc2c1)c1sc(-c2cccnc2)nc1C	747611455	MNAXORQXBCBRBQ-UHFFFAOYSA-N	416.506	4.586	50	20	HJGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNc1ccc(F)cc1Br	748065466	COMJATHNICOGTL-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
CCCn1c(C)c(C(=O)NNc2ccc(OC(F)F)cc2)c2cc(OC)ccc21	748656563	WPUPVARAHCNNCR-UHFFFAOYSA-N	403.429	4.727	50	20	HJGD	
Cc1cc(C(=O)NNC(=S)Nc2ccccc2-c2ccccc2)c2ccccc2n1	750974940	YXAMBSALLOWTHZ-UHFFFAOYSA-N	412.518	4.842	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2c[nH]nc2-c2ccccc2F)c(C)n1CC(F)(F)F	755700737	QCWWMADWEYDXLQ-ZSOIEALJSA-N	416.378	4.986	50	20	HJGD	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1	756493020	BRTKDMXURDQBSK-HNNXBMFYSA-N	404.495	4.701	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1scnc1C1CCCC1	759118076	LBNTUQWNUCGNBE-UHFFFAOYSA-N	402.264	4.598	50	20	HJGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762527652	CVPWFNBBDURMHZ-UHFFFAOYSA-N	400.329	4.786	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cc(Oc2cccc(Br)c2)ccn1	762540445	QIBLPHCOPJAPHI-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
CCc1oc2ccccc2c1C=NNC(=O)CSc1nc2ccccc2n1CC	764742481	LFMZBCQFUYYREB-UHFFFAOYSA-N	406.511	4.607	50	20	HJGD	
C[C@]1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO[C@@H]1C1CC1	767300711	MUTKYXFADHHWSA-HUUCEWRRSA-N	421.453	4.828	50	20	HJGD	
CC[C@@H](C)n1ncc2c(C(=O)NNc3c(Cl)cc(F)cc3Cl)cc(C)nc21	767406055	ZHMVMGKARRMUPX-SNVBAGLBSA-N	410.280	4.914	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC	773152138	QNJYWAXKXYTZQP-LFYBBSHMSA-N	424.306	4.560	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1	780805900	IJSJWMUFKDOMPX-UHFFFAOYSA-N	402.420	4.946	50	20	HJGD	
COCCN(CC(F)(F)F)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782980660	WNIXANDZNIJVFT-UHFFFAOYSA-N	423.347	4.543	50	20	HJGD	
CC(C)c1cc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)on1	782982143	JYHVAEQYXYXQQZ-UHFFFAOYSA-N	406.398	4.934	50	20	HJGD	
CS[C@H](C)CCC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783461758	WFFNOYJEMVVFAS-SECBINFHSA-N	413.455	4.681	50	20	HJGD	
Cc1ccc(OCc2nc(/C=C(\C#N)C(=O)NCc3cccc(C)c3)cs2)cc1	786049754	JTIVFJYGYQBGNN-YBFXNURJSA-N	403.507	4.562	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	787253553	VAFNOSQZLZQMKJ-LFIBNONCSA-N	405.841	4.565	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)S(=O)(=O)c1ccc(Cl)cc1	797094491	DVXGXPMYFHKCRH-RQZCQDPDSA-N	404.875	4.941	50	20	HJGD	
O=C(NN=C1CCCC12CCOCC2)c1ccc(COc2ccc(Cl)cc2)cc1	799867787	OTJOCODNMYWWEE-UHFFFAOYSA-N	412.917	4.986	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c(-c2cnn(C)c2)c1	801647250	HBJXGLOJNFUMOI-YBEGLDIGSA-N	410.399	4.960	50	20	HJGD	
CCc1cc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)ccc1F	804265215	IIJVYJUXOVJRJK-CPNJWEJPSA-N	413.456	4.711	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1cc2ccccc2n1Cc1ccccc1F	805465250	YCKPPGAZSSHARM-UHFFFAOYSA-N	415.472	4.643	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCc2nc3cc(Cl)ccc3s2)cc1	901384967	FLHPHDDPTMIEEH-RVDMUPIBSA-N	411.914	4.614	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	913455423	JKLASKALFLWDIN-UHFFFAOYSA-N	421.366	4.664	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccc(C#N)cc3)c2C)cc1	914484601	IAELXOQUTOTFCD-PVFDWLMNSA-N	424.504	4.759	50	20	HJGD	
CCN(CC)Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)c1	914840844	HYGBBIJPVWRNTF-JVMBGAFUSA-N	422.573	4.700	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)o2)c([N+](=O)[O-])c1	915843934	XJBRGKRDIUJIDJ-PTNGSMBKSA-N	403.394	4.718	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])c2C(C)C)cc1	917215940	LZEZLVIDXZLFBE-UHFFFAOYSA-N	413.865	4.623	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1C	920006068	FSLAAROBGABZNH-HKPSVDRMSA-N	405.542	4.630	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cc4ccccc4nc3N3CCOCC3)c[nH]c2c1	920068088	IGCVGNOIVICYOO-XSFVSMFZSA-N	422.488	4.651	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1sccc1C1CC1	921298922	RJCVMIYKVCLQTM-UHFFFAOYSA-N	413.502	4.916	50	20	HJGD	
Cc1ccc(SCC(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)cc1	1789108224	ZXMMHUPNZMGGFG-LJQANCHMSA-N	420.937	4.756	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1sccc1Cl	1791605052	RGRAUFXNUSNVNW-UHFFFAOYSA-N	417.745	4.953	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1814695250	RYENMQGQNDVFOB-QGZVFWFLSA-N	408.974	4.637	50	20	HJGD	
CC1(C)CCC(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](F)Cl)[nH]n2)CC1	1820975611	BXVRBLIZUIBXGQ-YJBOKZPZSA-N	412.937	4.543	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C)CC1	1824611115	XAXKGSFCAQDQCN-RTWAWAEBSA-N	422.972	4.775	50	20	HJGD	
Cc1ccc(-c2ccccc2C(=O)N2CCCC23CN(C(=O)C(C)(C)CCl)C3)cc1	1845442890	VZMXSNDSBLQVFE-UHFFFAOYSA-N	424.972	4.744	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OC	23217142	IJFASKBUFYUNKF-MDWZMJQESA-N	419.250	4.541	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NCCc1ccccc1	33280580	XGBWPXSERDPRQX-VBKFSLOCSA-N	421.840	4.774	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3ccc(C)cc3s2)c1C	302901364	XVGFECRCHGZJBA-PACYTGELSA-N	408.527	4.776	50	20	HJGD	
CCC[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	303209339	QJHYTBXRIOYLKL-VUKKNSMXSA-N	407.558	4.747	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(F)cccc2-n2cccn2)c(C)n1CC(C)C	730196065	AZWOMFKLXIPLON-XDHOZWIPSA-N	405.477	4.631	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)OCC/C=C\c2ccc(Br)cc2)cc(C#N)n1C	735340754	AVDDVGVAWNBCSK-DGZKOEIYSA-N	424.298	4.521	50	20	HJGD	
CC(=O)c1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)s1	742006565	MGIXCAHIDNEQGL-UHFFFAOYSA-N	408.104	4.777	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C)n1CC(C)C	754635594	MRRCDUCKXMDDDQ-BBIDMMBGSA-N	423.532	4.844	50	20	HJGD	
O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NNc1ccc(C(F)(F)F)nn1	755183260	JPSVULUCPOHKDD-UHFFFAOYSA-N	412.415	4.533	50	20	HJGD	
Cc1nnc(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)n1[C@@H]1CCC[C@H](C)C1	758168386	FWQCMMZCPLFJQC-SQWLQELKSA-N	422.558	4.660	50	20	HJGD	
N#C/C(=C\c1sccc1Br)C(=O)Nc1nc2ccccc2nc1Cl	764886617	JOXYLWUVRUFJGT-VQHVLOKHSA-N	419.691	4.653	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3cn(C(C)C)nc3c2)c1C	768145050	GWOKOOKIOWHVKN-HQOKVJKCSA-N	419.529	4.789	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ncccc3Cl)c3c(C)noc3n2)c(C)s1	769680246	VQFMKVXVQVKXSZ-UHFFFAOYSA-N	413.890	4.682	50	20	HJGD	
COC(=O)c1cccc(NC2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)c1	771092898	PKNOFQCYTFECKZ-LJQANCHMSA-N	422.616	4.590	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)c1cc(F)cc(F)c1	772176559	NWCCDZWMSKKIHY-MIGROESCSA-N	403.812	4.966	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1	772875378	NVUMFCZRUCFLMD-UHFFFAOYSA-N	405.483	4.740	50	20	HJGD	
CN(CCOc1ccccc1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772930850	ZYZWYZYQFHCZRE-UHFFFAOYSA-N	424.391	4.820	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Br)c3ccccc23)cc(C#N)n1C	773755243	DJDHJIXIYHFVPJ-DHDCSXOGSA-N	419.282	4.667	50	20	HJGD	
CN(C[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	778253702	SKUJVIHVBGDNCI-NJZAAPMLSA-N	410.889	4.921	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cccc(Br)c1Cl	780344690	SYXHAZLFUHROGI-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1ccccc1Nc1cccc(C(F)(F)F)c1	781831684	NOBRSBQCRHJNDQ-UHFFFAOYSA-N	407.783	4.649	50	20	HJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CCC(=O)Nc2ccccc21	783806388	FXRMLWLBQPJPEA-UHFFFAOYSA-N	424.913	4.517	50	20	HJGD	
CCOc1ccc(Oc2cc(CNC(=O)/C(C#N)=C/c3ccc(F)cc3)ccn2)cc1	785364069	TZKWDRYIYUVUEK-CPNJWEJPSA-N	417.440	4.635	50	20	HJGD	
N#C/C(=C\c1c(-c2ccccc2)nc2sccn12)C(=O)NCc1ccc(F)c(F)c1	786114336	KXDHIRUYNQGLMK-LFIBNONCSA-N	420.444	4.564	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1	788259058	KXJYTNHILFTHLF-UHFFFAOYSA-N	414.918	4.919	50	20	HJGD	
CCc1ccc(-c2nc(CC(=O)NNc3ccc(Cl)c(OC)c3)cs2)cc1	790166013	LOEAHUAFOGQFNM-UHFFFAOYSA-N	401.919	4.720	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1C	798008693	PWJFAZRDBTVIEQ-WDYPPMEOSA-N	411.933	4.545	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1nc2ccccc2cc1Cl	810592462	LYWOTEQJPQKPFQ-UHFFFAOYSA-N	407.607	4.778	50	20	HJGD	
FC(F)(F)c1cccnc1-n1ccc(NCc2ccc(OCCCCl)cc2)n1	811483862	MMABXEZRRYNEEC-UHFFFAOYSA-N	410.827	4.906	50	20	HJGD	
CC(CCCCCCC(=O)O)=NNC(=O)c1ccc(Br)cc1Cl	814837077	HAQRQLBGUQLHCT-UHFFFAOYSA-N	403.704	4.633	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(CN3CCCCC3)cs2)c1C	822798935	ZLRQTFUTPIVTDQ-XDHOZWIPSA-N	411.575	4.503	50	20	HJGD	
CCNC(=O)c1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1	882387212	YJEZJEIWCBECCJ-STZFKDTASA-N	418.541	4.906	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cc1NC(C)=O	900958628	GSAFEOIHZHJJJD-NDENLUEZSA-N	422.529	4.664	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCCOC(c2ccccc2)c2ccccc2)cc1	916727051	JYFJKNVHXXSMPA-NKFKGCMQSA-N	413.473	4.952	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNC(=O)c1ccc2ccccc2c1	918108639	JWLNZTVAMJLAAY-UHFFFAOYSA-N	421.909	4.620	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2OCC(C)C)c1C	918666988	VHALFGKPQYTSHV-DOUQRPAJSA-N	423.557	4.571	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)Cc3nccn3C(F)F)c2C)c1	919707580	XORHYJSITCGNBP-XDHOZWIPSA-N	423.467	4.560	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cscn2)c(C)n1-c1cccc(Cl)c1	920280327	MGPRHVIOYOLHDG-CAOOACKPSA-N	410.930	4.770	50	20	HJGD	
CC(C)c1csc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)n1	1788580597	USRMGWAPTRKYCJ-OAHLLOKOSA-N	409.914	4.549	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cscc2C)CC1	1827802837	SGCTWPQHYIDSGJ-RTBURBONSA-N	411.011	4.697	50	20	HJGD	
COc1ccc2cc(/C=C/C(=O)NNC(=S)Nc3cccc(Cl)c3)ccc2c1	8248226	CEUXNUSLAWHRPV-UXBLZVDNSA-N	411.914	4.533	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)s2)cc1	14177897	KUYGRUWZHKYRRK-GHRIWEEISA-N	419.481	4.802	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@H]1CCC[C@H]1CCC(C)C	727847724	RVVWPYGNWLULGZ-WMZOPIPTSA-N	414.575	4.667	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc(Br)s1	730437820	VIEZZLQNNSZRQQ-GHXNOFRVSA-N	402.248	4.625	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1OC	732714721	DGNCLSIJUGBGPC-NTUHNPAUSA-N	416.827	4.598	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(Cl)nc(Cl)c2)c1C	733378676	SFIQZENPRFOMNN-QOSBVPTNSA-N	422.312	4.665	50	20	HJGD	
O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NNc1cnnc2ccccc12	733812077	SEYLFIKWWPQWPQ-UHFFFAOYSA-N	418.884	4.548	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(SC(F)F)cc1)Nc1ccc(Cl)cc1	734380883	KYQVROWTPLGCRA-UHFFFAOYSA-N	402.879	4.678	50	20	HJGD	
N#Cc1cccc(OCc2cccc(C(=O)NNc3cccc(C(F)(F)F)c3)c2)c1	734547894	XGYUUEIXAPYOPH-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
C[C@@H]1CC(=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CCN1C	741454244	YECBIRSJXFNKNZ-OAHLLOKOSA-N	401.963	4.832	50	20	HJGD	
CCc1noc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)n1	741817306	CYZPFZIOTPQYLI-MIQLPHMESA-N	404.470	4.559	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1c(Cl)cccc1Cl	741922876	KLTGLANLVXUMBR-VXGBXAGGSA-N	418.107	4.865	50	20	HJGD	
O=C(NN=Cc1ccc(Oc2cnccn2)cc1)c1cc2c(s1)CCCCCC2	743431577	WPSHWVOGVKWCGS-UHFFFAOYSA-N	406.511	4.753	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3ccc(C(F)(F)F)cc3)cs2)cc1OC	747590945	NWWUKTYFSSLCDU-UHFFFAOYSA-N	423.416	4.603	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	748333028	ARFIGJDWTRELMZ-UHFFFAOYSA-N	414.252	4.513	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cccc(C)c3Cl)cc2)cc1	755227736	SCLIFSDGVLLWSX-UHFFFAOYSA-N	414.914	4.547	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	756123990	RNPRDXKSABNAHZ-UHFFFAOYSA-N	406.895	4.682	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)Nc1ccc(CCC(F)(F)F)cc1	757611845	JFEUCOKMGOYAAC-UHFFFAOYSA-N	415.415	4.730	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccccc1CCC(F)(F)F	759781291	BGFSWGNHHJXNPP-UHFFFAOYSA-N	409.477	4.936	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2cc(Br)cc3cccnc23)cc1	759860657	JZMMEGDLVZXIHR-SXGWCWSVSA-N	423.266	4.656	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCCC(=O)O	763373043	HZYLEAVPPJBXCJ-AQTBWJFISA-N	407.466	4.636	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2nc3ccccc3[nH]2)c(-c2ccccc2Cl)n1	768494395	CHBUJQCJJSTIRW-UHFFFAOYSA-N	408.893	4.592	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cn(CCCC#N)c2ccccc12	769928654	UCSCDPBFRHLKSK-UHFFFAOYSA-N	419.554	4.700	50	20	HJGD	
N#Cc1cccc(Oc2ccc(NC(=O)NNc3nc4ccccc4s3)cn2)c1	769957426	GLMIUCWBWJCILX-UHFFFAOYSA-N	402.439	4.504	50	20	HJGD	
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NNc3c(F)cccc3Cl)c12	770196923	APTFQOQLIFUVHV-UHFFFAOYSA-N	415.881	4.555	50	20	HJGD	
CC(C)(C)OC(=O)NCc1cccc(NC(=O)NNc2c(F)cccc2Cl)c1	771140892	INYPKHUGXIDKHE-UHFFFAOYSA-N	408.861	4.652	50	20	HJGD	
N#C/C(=C/c1ccc2ccc(Br)cc2n1)C(=O)c1ccc2c(c1)OCO2	771521569	SZFKGTIAKCWILJ-AUWJEWJLSA-N	407.223	4.516	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1ccccc1Sc1ccccc1	771554222	XFPLJXDSAOIZJZ-UHFFFAOYSA-N	400.301	4.752	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2occc2C(=O)O)cc1)C(=O)c1cc(F)cc(F)c1	773171116	MEYORJDGNFBJQD-CHHVJCJISA-N	409.344	4.625	50	20	HJGD	
Cc1cccc(OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1Cl	774655435	VSOVYKZVDONRQJ-AQTBWJFISA-N	416.868	4.938	50	20	HJGD	
CC1CCN(C(=O)c2ccc(NC(=O)NNc3ccc(C(F)(F)F)cc3)cc2)CC1	775545878	GEPNLBCNUXRSHF-UHFFFAOYSA-N	420.435	4.726	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(OCc2ccncc2)cc1	775607227	XDYKWLOAKUNCOO-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
Cc1cccc(C(N)=O)c1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777602688	VCBYHAQQESUYBN-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
CN(CCC1CCOCC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777994087	WCFYRCJXZMWZAI-UHFFFAOYSA-N	409.442	4.781	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	781940764	LTBFLMBCMYAQNM-UHFFFAOYSA-N	423.744	4.948	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(F)c(F)c2)ccc1Oc1cccnc1	786051733	CZYFCYSCBIHQRO-VCHYOVAHSA-N	405.404	4.684	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3)cc2C)c1C	790130865	YOVKCKNGLKSOEJ-VZMFNRANSA-N	420.557	4.767	50	20	HJGD	
N#Cc1cccc(Oc2ccc(NC(=O)NNc3cccc(F)c3[N+](=O)[O-])cc2)c1	790505800	ZNUBKAPFJCDVTM-UHFFFAOYSA-N	407.361	4.546	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1cccc2c1CCO2	797371262	FJKFUCUQMFTGED-UHFFFAOYSA-N	408.348	4.856	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)c(C)c1OC	806573704	QFOJDVGEPNJOIP-JYRVWZFOSA-N	403.232	4.747	50	20	HJGD	
O=S(=O)(CCOCC(F)(F)F)Nc1cccc(S(F)(F)(F)(F)F)c1	811697338	CLNGMSIPTDHHIF-UHFFFAOYSA-N	409.320	4.665	50	20	HJGD	
O=S(=O)(Nc1ncc(C(F)(F)F)[nH]1)c1cccc(S(F)(F)(F)(F)F)c1	811832362	OPGPZODCUJPFML-UHFFFAOYSA-N	417.303	4.887	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1	812244828	IYQLJXBMEPQONC-OCOPJHETSA-N	417.265	4.926	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	812966304	PCKPFKCYPCPOSU-UHFFFAOYSA-N	419.529	4.850	50	20	HJGD	
CC(=NNC(=O)CC(F)(F)F)c1sc(-c2ccccc2Br)nc1C	814812488	YPJAKQMBRHSZCF-UHFFFAOYSA-N	420.254	4.674	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1	818798739	LGXNLNUHTJZBLD-UHFFFAOYSA-N	413.865	4.545	50	20	HJGD	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccccc2Cl)c1	912646238	MOSNRUAOJSKQAI-UHFFFAOYSA-N	418.884	4.958	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C2CCC(C)CC2)C2CC2)c(C)n1C[C@H]1CCCO1	914487424	JQRLWWAQODSFTO-SEDIAFBHSA-N	409.574	4.761	50	20	HJGD	
COc1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc(Cl)c2)s1	914692089	LUWSINZLPSAQQT-UHFFFAOYSA-N	400.887	4.606	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2csc(Br)c2)c1C	919936131	GOQCPPCBYWPQCU-MFOYZWKCSA-N	420.376	4.905	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCCC(F)(F)F)CCC2)cc1	1790488289	ZDIBXOQIKDUWHH-OAHLLOKOSA-N	404.860	4.871	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccco3)CCC2)cc1	1790488352	MIXFJHQVLCPVQO-KXBFYZLASA-N	402.922	4.610	50	20	HJGD	
O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[nH]n1)[C@@H](F)Cl	1818039248	OKSVWTJLSFVFMO-BBHOWBALSA-N	424.948	4.543	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C)CCCCC2)n[nH]1	1822328378	PWHVVBHIJVSTNJ-WBVHZDCISA-N	408.974	4.780	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1	1824014662	GQIRKCCICAXZIL-WMZHIEFXSA-N	409.014	4.618	50	20	HJGD	
O=C(COC(=O)CCCC[C@H]1CCSS1)Nc1ccc(Br)cc1	11385571	YIVLIAILPLEDRI-AWEZNQCLSA-N	418.378	4.645	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OCCCC#N)c2)c1C	208609145	VAXWHGCFQSPJKP-LANLRWRYSA-N	420.513	4.541	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)cc1	726741874	IODTVLYZEDOOEF-REZTVBANSA-N	406.290	4.959	50	20	HJGD	
O=C(NN=Cc1ccccc1OCc1ccncc1)c1c(Cl)cccc1Cl	727779359	ZBGZGMWWTNEMEE-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccc1	732133201	SPRAIDFQWWOSKA-GBESFXJTSA-N	419.550	4.687	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2CN2CCCCCC2)cc1	732963851	DRBMDFQDFRXJCD-ULJHMMPZSA-N	417.553	4.685	50	20	HJGD	
COc1ccc([C@H](NC(=O)NNc2cc(F)c(F)cc2F)c2ccc(F)cc2)cc1	734664239	PCVVOUNRBCXOEH-HXUWFJFHSA-N	419.378	4.667	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(N(CC)CC)c(F)c1	739426866	NRIGKEJKHQMLLK-GZTJUZNOSA-N	411.477	4.583	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=Cc2csc(-c3ccsc3)n2)cc1Cl	741769113	GHIZYRFXLPOVCR-UHFFFAOYSA-N	422.919	4.698	50	20	HJGD	
COc1cc(CC(=O)NNc2c(Cl)cc(Br)cc2Cl)ccc1C	742005654	DJMVGGPMPCDNNY-UHFFFAOYSA-N	418.118	4.759	50	20	HJGD	
Cc1noc(C(C)C)c1C(=O)NNc1c(Cl)cc(Br)cc1Cl	742006267	QXLCOHSJTXKPNO-UHFFFAOYSA-N	407.095	4.933	50	20	HJGD	
C[C@@H](SCC(=O)NNC(=O)c1ccccc1Cl)c1ccc(Cl)c(Cl)c1	742455779	UVINHTMQPDMTKM-SNVBAGLBSA-N	417.745	4.902	50	20	HJGD	
CN1[C@H]2CC[C@H]1CN(C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)CC2	746024655	QYVZJPBQUXPNFW-HUBLWGQQSA-N	407.889	4.606	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(C#N)cc2)cc1C	748106574	XRDLJVFLEKYGLV-UHFFFAOYSA-N	407.477	4.785	50	20	HJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2)s1)C(=O)N1CCn2c1nc1ccccc12	750891792	ANLBBNSPQGTXQV-SSZFMOIBSA-N	414.465	4.858	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(F)(F)F	750895054	CZTPYIDZKHNNRO-YBEGLDIGSA-N	404.388	4.881	50	20	HJGD	
O=C(Cc1ccc(OCc2ccccn2)cc1)NNc1ccnc2cc(Cl)ccc12	752612073	WIJWRWLXFJGUSZ-UHFFFAOYSA-N	418.884	4.548	50	20	HJGD	
Cc1nn(Cc2ccccc2)c2sc(C(=O)NNc3ccc(C#N)c(Cl)c3)cc12	753302639	NRPYOKHFKKEZPL-UHFFFAOYSA-N	421.913	4.737	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1ccc(C#N)c(Cl)c1	753318462	QYWOTPQJADKMDR-UHFFFAOYSA-N	404.829	4.679	50	20	HJGD	
O=C(NNC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1N1CCCC1	755445560	FIQAHTVEDHJMAC-UHFFFAOYSA-N	414.918	4.621	50	20	HJGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	759085883	FGIXTCVQUMBNFF-UHFFFAOYSA-N	400.291	4.740	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1	761996669	MMLSKBQDMBFKFL-HNNXBMFYSA-N	423.310	4.927	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CC[C@@H](c2ccco2)C1	762661387	IABNWPWBLZQNQD-LLVKDONJSA-N	410.364	4.892	50	20	HJGD	
CCn1c(SCC(=O)NN=C2CCCCCC2)nnc1-c1ccc(Cl)cc1	764760897	GBOCBYYDUIYTFX-UHFFFAOYSA-N	405.955	4.537	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@@H](F)c1ccccc1	769309632	BKWAVXIEHOEEBR-ZDUSSCGKSA-N	419.368	4.860	50	20	HJGD	
Cc1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1OCC1CCOCC1	771159445	RGPCNPMNXNGVHS-UHFFFAOYSA-N	407.873	4.742	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1nnc(-c2cccc(Cl)c2)s1	775816595	VUNAKWUHLOMMEG-UHFFFAOYSA-N	402.892	4.617	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cccc(Br)c2OC(F)F)c1	776725653	OGLMGAKMQQTQFZ-JYRVWZFOSA-N	408.198	4.849	50	20	HJGD	
CCc1cc(NNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)nc(-c2ccccn2)n1	779377578	PIXZLNNCOXHLSI-UHFFFAOYSA-N	421.810	4.530	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)ccc1OCCC(C)C	787028579	DLXFXIVMQJAGLK-UOBPLZBXSA-N	408.498	4.610	50	20	HJGD	
O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NNc1ccc2ccccc2n1	787496099	NIDQMFCIHKURSX-UHFFFAOYSA-N	408.914	4.621	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1C	790012422	POKYDHSPONPJRL-NDENLUEZSA-N	420.538	4.729	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ncc(C(C)(C)C)s2)c1C	790885025	AZSWUELKJUDETN-UPAIAECRSA-N	415.559	4.717	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cncc(-c2ccc3c(c2)CCO3)c1	791739363	MRLQMWCQSPTMEM-UHFFFAOYSA-N	400.265	4.747	50	20	HJGD	
CC(C)(C)Sc1ccc(NC(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	792437012	AUYLALMCELGDDB-UHFFFAOYSA-N	412.342	4.966	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12	808247479	BLDCHTREDZZMQF-UHFFFAOYSA-N	417.292	4.549	50	20	HJGD	
C[C@@H](C(=O)NNc1ccccc1OC(F)(F)F)c1cccc(Br)c1	812551733	IDSPWOOEWVJJAG-SNVBAGLBSA-N	403.198	4.595	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)OC2CCCCC2)cc(Br)c1OC	834748118	OPGLJDQKBPWFIX-ZROIWOOFSA-N	408.292	4.639	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2c(Cl)cccc2Cl)c1C	914496615	IMAJHAPARXBBDI-IREQLNLFSA-N	420.340	4.843	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3C(=O)OC)o2)cc1	915847208	NUZXJFFIGQTWQD-PEZBUJJGSA-N	416.433	4.678	50	20	HJGD	
CC(C)Oc1cccc([C@H](C)NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1	918214170	VUTUNZFTGMQPKY-NSHDSACASA-N	416.831	4.928	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(COC(C)C)cc2)c(C)n1C[C@H]1CCCO1	919935354	BUMUWLANFCODQD-RWTNITNYSA-N	421.541	4.755	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)Nc1ccc(-c2nc3ccccc3o2)cc1	920930669	SIAWTHUPGAKVCO-UHFFFAOYSA-N	418.478	4.512	50	20	HJGD	
Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(CCCl)cc2)s1	921063264	FDNHIFCOQBGGGG-UHFFFAOYSA-N	409.960	4.822	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)n3cccc3)CCC2)cc1	1786446117	GLQNRIMQAQPYNZ-LPHOPBHVSA-N	401.938	4.591	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3cccnc3)CCC2)cc1	1790487826	CQAMWQCGIHTETF-KETLNSEPSA-N	411.933	4.636	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1	1818801540	NCKJVOIIJANAQP-XYJFISCASA-N	406.958	4.556	50	20	HJGD	
Cc1oncc1C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1842488779	FIBBMSRMXZNKLB-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl	7750723	IRNJEKVWHGZSQA-WUXMJOGZSA-N	407.253	4.565	50	20	HJGD	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	15091295	NCZCXLKTZVAPNG-UHFFFAOYSA-N	421.453	4.592	50	20	HJGD	
CCN(C(C)=O)c1nc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cs1	141619301	JFAZAMYXLGBLKA-PXNMLYILSA-N	405.508	4.575	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)c1C	726511458	YURRLIXLUWEJFE-NYGIBDDFSA-N	405.542	4.849	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2cc(C(C)C)nc3ccccc23)cc1	727500567	SSXWJRPMZZSOHF-UHFFFAOYSA-N	422.554	4.777	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(Cl)cccc2OC(F)F)c1	732924553	XYURLZPCCVYKED-UHFFFAOYSA-N	410.848	4.902	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1	732926017	IRKBBXAYKUZXNA-QPEQYQDCSA-N	422.815	4.813	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCC(=O)Nc2ccccc2)c(C)n1C1CCCCC1	733227096	DSRNKFLSBMNQEH-LTGZKZEYSA-N	418.541	4.662	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NNc1cc(F)c(F)cc1F	734662368	YMBQYMRPELIAOT-NSHDSACASA-N	406.433	4.923	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCc3cccc(F)c3[C@@H]2C)c1C	737698632	DCCLPFIGJVBNOG-QIQVEEHJSA-N	409.505	4.504	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccccc1C(F)(F)F	743540596	RUYAGKMLCOHKGK-ZDUSSCGKSA-N	401.388	4.564	50	20	HJGD	
COc1cc(C=NNC(=O)c2cn(C)c3ccccc23)ccc1OCc1ccccc1	744782581	WAMSAMRKXPZQOT-UHFFFAOYSA-N	413.477	4.530	50	20	HJGD	
CC(C)(CNC(=O)NNC(=O)c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1	747861889	KTVDYYPPIITFDG-UHFFFAOYSA-N	414.720	4.569	50	20	HJGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1sccc1-c1ccccc1	747982525	CMFKLMJCLYLPSV-UHFFFAOYSA-N	413.506	4.513	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc3c2CCCC3)cc(C)c1OCc1cccnc1	748586180	YQJLTCYFFJKUSZ-UHFFFAOYSA-N	401.510	4.913	50	20	HJGD	
Cc1ccc(-n2cnc3c2CCN(C(=O)CCCC[C@@H]2CCSS2)C3)cc1	754416020	IVGSWMHREBOZOA-GOSISDBHSA-N	401.601	4.780	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)Nc1ccccc1CCC(F)(F)F	757656446	IYNZSRBGJPPVGS-UHFFFAOYSA-N	401.388	4.801	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1	759320988	BYKYNNNQFMJYKI-UHFFFAOYSA-N	419.460	4.584	50	20	HJGD	
Cc1nc(CCC(=O)NNc2ccc(OC(F)(F)F)cc2)oc1-c1ccccc1	761599912	LYWOYKIUPMYOEZ-UHFFFAOYSA-N	405.376	4.625	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CC[C@H](c2ccco2)C1	762661388	IABNWPWBLZQNQD-NSHDSACASA-N	410.364	4.892	50	20	HJGD	
Cc1cnc(C2CCN(C(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)CC2)s1	762732626	IFLVQUNFDSIOSK-NHDPSOOVSA-N	410.587	4.839	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(Br)c2)c1	768269973	TUVOUQHQFWUASI-GHXNOFRVSA-N	423.213	4.605	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1	768702348	IBALPASWFTYTHF-UHFFFAOYSA-N	421.869	4.747	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1cccc(F)c1Sc1ccccc1	771537126	FZPTZLVNJQLTNI-UHFFFAOYSA-N	418.291	4.891	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	772874527	CSIANQVFOLZMRR-UHFFFAOYSA-N	407.861	4.674	50	20	HJGD	
CSc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1C	775512874	ZPZXDCORXMZFBI-CBXNMNPBSA-N	409.555	4.860	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1cccc(COCc2ccco2)c1	775525548	WDLTZDAQOWFFBX-UHFFFAOYSA-N	407.257	4.847	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1ccccc1Nc1ccc(OC(F)F)cc1	778449321	IFXIGOSLYNUGAG-UHFFFAOYSA-N	404.804	4.837	50	20	HJGD	
CC[C@]1(CO)CCCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	779393481	UNYCVSNQHOOVMD-HOCLYGCPSA-N	410.889	4.922	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1	785244458	DOYZOYCEOCKWMY-WBRURWICSA-N	401.441	4.584	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ncccc2C(F)(F)F)cc1)c1ccccc1	788588519	UORIRXYCFKJAJG-CQSZACIVSA-N	401.388	4.997	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)c(F)c1)c1ccc(C(F)(F)F)cc1	798992028	JTRLGGOUHUPRBB-SECBINFHSA-N	405.189	4.854	50	20	HJGD	
CSc1ccccc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804208440	LSIKSZBKWWFYLO-UHFFFAOYSA-N	404.417	4.641	50	20	HJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNc3nccnc3C3CCC3)cs2)cc1	805463080	YINAKUMAQLVZDE-UHFFFAOYSA-N	407.543	4.677	50	20	HJGD	
CCSc1cccc(F)c1NC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	813306081	SKMUBIMRPYGWLP-ATVHPVEESA-N	401.507	4.548	50	20	HJGD	
COc1ccc(NNC(=O)[C@H](C)c2ccc(Br)s2)c(C(F)(F)F)c1	816703032	MAYOCXORULCSIL-MRVPVSSYSA-N	423.254	4.785	50	20	HJGD	
CCCc1noc(CCCC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	817014445	IRCUIWHOPWSEFG-UHFFFAOYSA-N	424.345	4.526	50	20	HJGD	
Cc1ccc(N2C(=O)C[C@@H](C(=O)NNc3cccc(C)c3)[C@H]2c2cccs2)cc1	912634634	OPPATIOZWLYVSX-KNQAVFIVSA-N	405.523	4.602	50	20	HJGD	
CCCOc1c(Br)cc(C(=O)NNc2ccccc2Cl)cc1OC	912643348	XECCUYDQPFXYOE-UHFFFAOYSA-N	413.699	4.657	50	20	HJGD	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2Cl)cs1	916129172	YLLNYNOBHVNIHH-LCYFTJDESA-N	410.842	4.917	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CCCc3ccccc32)c(C)n1C[C@H]1CCCO1	916560038	LMRXZQLABXHKLQ-UWNSTNHGSA-N	417.553	4.727	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)NC1CCN(CC2CC2)CC1	916676917	JPCPMDNCWHEVNV-INIZCTEOSA-N	421.916	4.902	50	20	HJGD	
N#C/C(=C/c1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc2c(c1)OCO2	918712936	DDXUBIJUDOKUCM-AUWJEWJLSA-N	424.865	4.894	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CCN(c3ccccc3)CC2)c1C	919699838	ISILIXFRMXMCPA-OQKWZONESA-N	404.558	4.597	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2c(Cl)nc(Cl)n2-c2ccccc2)n1	920387769	OVDQPXXVMLNFMQ-FLIBITNWSA-N	419.293	4.876	50	20	HJGD	
O=C(NNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1Cl	1115817914	IHJPIJWOTVNBGN-UHFFFAOYSA-N	417.852	4.737	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(-c3cnn(C)c3)cc2)c(C)n1CC(F)(F)F	1256382602	WDYCIEGROLXNLD-GIJQJNRQSA-N	412.415	4.858	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1ccc(SCc2ccccc2)cc1	1319648572	MMMAUKAMXGLCOC-UHFFFAOYSA-N	414.328	4.893	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c(CC)noc3C)CCC2)cc1	1786445090	RNAOFFZLGOZNKS-KRWDZBQOSA-N	417.937	4.701	50	20	HJGD	
Cc1csc(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)c1	1789647724	USCUQEATALYJSX-UHFFFAOYSA-N	416.619	4.656	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C3CC3)cc2)n[nH]1	1821306544	KGFTWRTYXHMIJX-PKOBYXMFSA-N	414.937	4.610	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(C)c2)CC1	1826488062	BSHJBPMFZWBNNQ-FCHUYYIVSA-N	419.009	4.565	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1	5243575	ZVNBHXAMDGXJCQ-VEJKBTLKSA-N	417.292	4.629	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1sc2ccccc2c1Cl	14031592	LVXINBJTFXDWEY-CYBMUJFWSA-N	424.909	4.936	50	20	HJGD	
O=C(COc1ccc(Cl)c2ccccc12)NNC(=S)Nc1cccc(Cl)c1	14893065	ATIKRHLLOKENNM-UHFFFAOYSA-N	420.321	4.543	50	20	HJGD	
Cn1cc(C(=O)NNC(=S)Nc2ccc(Oc3ccccc3)cc2)c2ccccc21	18162141	WPMRQFFKWUKWRY-UHFFFAOYSA-N	416.506	4.602	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCN(c2ncc(Cl)cc2Cl)CC1	108482709	IKBZWWSJFWRFGI-AWEZNQCLSA-N	420.431	4.751	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)ncn1	734256286	BNNIVQYEEZPMJX-UHFFFAOYSA-N	405.461	4.910	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1	734304652	QZEPAUNRKHFJOL-YBFXNURJSA-N	422.891	4.564	50	20	HJGD	
CCc1cc(NNC(=O)c2cccc(Oc3ccccc3)c2)nc(-c2ccccn2)n1	734357274	WOWBCLZXFDJZNV-UHFFFAOYSA-N	411.465	4.650	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(Oc2ccncc2)c(Cl)c1	740095465	IPJYVFZLYHKNNP-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3cccc(C(F)(F)F)n3)c(F)c2)cc1	740128749	UYMBQPHMXDLCJF-UHFFFAOYSA-N	405.351	4.672	50	20	HJGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	741391407	HDDUSQUCJPNVMY-VZLIPTOUSA-N	408.873	4.841	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1	741575413	MIBLVXDGFRGBJT-UHFFFAOYSA-N	400.400	4.597	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cc(Cl)ccc2I)c(C)c1	743764585	NIUXKQYQFRXSRI-UHFFFAOYSA-N	414.674	4.627	50	20	HJGD	
CC[C@H](C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	743960152	AEJAGXAYPCNFMS-XMZIXOGTSA-N	410.889	4.785	50	20	HJGD	
O=C(COc1ccc(C2SCCCS2)cc1)NNc1ccc(Cl)c(F)c1	746696952	GXUGBIDMTHBVMW-UHFFFAOYSA-N	412.939	4.870	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)cnn1-c1cccc(Cl)c1	747590605	AHWRGRZFEUXTNZ-UHFFFAOYSA-N	408.811	4.864	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc(NC(=O)c2ccc(F)cc2)c1	747591502	YVXXYJKWZDHZJC-UHFFFAOYSA-N	417.362	4.854	50	20	HJGD	
Cc1nc(-c2cccs2)sc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748696136	YYDBOAIHCGCHNF-UHFFFAOYSA-N	413.446	4.878	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1COc1ccccc1	748704700	NRERGAUKDICMMZ-UHFFFAOYSA-N	416.399	4.964	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@H](c3ccccc3C)C2)c1C	750769880	YPSNXUZJYAWTPT-NGPKUFNOSA-N	405.542	4.544	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)cnn1-c1cccc(F)c1	752632235	MGNMDOABOPLMPY-UHFFFAOYSA-N	406.383	4.740	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl	753303487	WOFLWRSOBFQZSO-UHFFFAOYSA-N	404.882	4.991	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cc(-c2ccccn2)nc2ccccc12	754470986	CEVBIBJXJCKZQR-UHFFFAOYSA-N	418.460	4.511	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1ccc2c(c1)oc1ccccc12	755911193	XNDDUTFHGFHEEY-UHFFFAOYSA-N	412.405	4.708	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cccc(OC(C)C)c2)c1C	756053037	LSJDFBSZPXJPLM-QNDYCBLQSA-N	423.557	4.665	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc2sccc2c1	761568294	NGEZOUCMGUMZTR-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C1(c2cccc(C(F)(F)F)c2)CC1	761591360	OJKSILSFSFZXDP-UHFFFAOYSA-N	404.310	4.779	50	20	HJGD	
CN(CCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1	762634234	JXSUEMZYJVOTMR-UHFFFAOYSA-N	423.407	4.535	50	20	HJGD	
N#C/C(=C/c1cn2cc(Cl)ccc2n1)c1ccc([N+](=O)[O-])cc1Br	765612373	AQDORLCCEAGPNC-YHYXMXQVSA-N	403.623	4.723	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1	767950963	XHOYPCNOGAEOOT-GJZGRUSLSA-N	406.324	4.600	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)OCc1nc(-c2cc(F)c(F)c(F)c2)no1	767989326	ZEAORBTVRNAYRD-NSHDSACASA-N	418.462	4.911	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)c1	772817804	LGRARQJFALOHDS-UHFFFAOYSA-N	403.385	4.942	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)C(=O)c1ccc(F)c(Cl)c1	774133161	BGBVVNMAYAWLGH-JYRVWZFOSA-N	412.269	4.716	50	20	HJGD	
CC1CCN(C(=O)c2ccc(NC(=O)NNc3cccc(C(F)(F)F)c3)cc2)CC1	775544296	BNVRZWPOLFQCEF-UHFFFAOYSA-N	420.435	4.726	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1	780803975	VGGYDDFILWLZPL-UHFFFAOYSA-N	423.538	4.542	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1	780809224	PNZOUFYBGZYZBM-UHFFFAOYSA-N	415.946	4.725	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2)cc1	784822911	BROAVJUCKOQFCC-UHFFFAOYSA-N	415.371	4.580	50	20	HJGD	
CC(C)[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F	785362171	COIOZZALGDRXEC-KVVHSQDJSA-N	416.399	4.819	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1csc(-c2cccc(OC)c2)n1)c1ccccc1	787140293	FZTFUILRZJQERY-CNEDASOKSA-N	403.507	4.993	50	20	HJGD	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	790588245	QLZINBHJVODYDI-JTQLQIEISA-N	420.853	4.559	50	20	HJGD	
CCn1ccc(CN(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	790883849	FBFKLTFBQLONCQ-UHFFFAOYSA-N	404.426	4.986	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(Cl)ccc(F)c2C)c1C	791040296	BNADQNPOPWPMNE-YRUBURHZSA-N	403.885	4.959	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1ccccc1	792633668	LORHOSBNUNGYRC-JCMHNJIXSA-N	405.523	4.678	50	20	HJGD	
C[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@]2(CCOC2)O1	797645644	SNOADGSSMLBJPI-IAQYHMDHSA-N	402.385	4.756	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)cc1	799085236	NLVZAQQUBIWEFZ-ATVHPVEESA-N	406.873	4.779	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(Cl)c(F)c1N1CCOCC1	801591467	KMFNITTUJMWEHO-CYBMUJFWSA-N	418.987	4.968	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)Nc1ccccc1	801988838	SEGATNNDGFEIDM-IBGZPJMESA-N	413.449	4.651	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cc(Cl)ccc1Oc1ccc(F)cc1	803438818	HEMGPDVMMGXHLR-UHFFFAOYSA-N	423.831	4.870	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1	817013966	LLYZNFJAQFONLS-UHFFFAOYSA-N	423.357	4.916	50	20	HJGD	
Cc1nc(C2(NC(=O)/C(C#N)=C/c3cc(C)n(CCC(C)C)c3C)CCCCC2)no1	818110164	UHZZWHSYMFNRFD-KGENOOAVSA-N	423.561	4.725	50	20	HJGD	
N#C/C(=C/c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)Nc1ccccc1C(F)(F)F	834722306	QBTMJZLEFJFDBB-XOQYZJNISA-N	416.399	4.809	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)cc1	913229417	YZVXDCMQRIXABV-XQNSMLJCSA-N	422.484	4.909	50	20	HJGD	
CCOc1ccc(N(CC)C(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)cc1	914520103	WMSHUVQAIXCXRH-MKYLKIGJSA-N	409.530	4.671	50	20	HJGD	
O=C(NN=Cc1cc2ccccc2nc1N1CCCCC1)c1cc2c(s1)CCC2	916315377	PHGOETGZKUGGFE-UHFFFAOYSA-N	404.539	4.539	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2ccc(-c3ccccc3)o2)c1Cl	917537854	BXGYRFFNYDKAEP-UHFFFAOYSA-N	409.660	4.648	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1csc(COc2ccccc2)n1	918709841	YQQDBXMXIQCQTE-UHFFFAOYSA-N	417.943	4.618	50	20	HJGD	
CC[C@H](C)[C@@H](C)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	920015783	LQZHURQSSUQGAR-KPIYYBAOSA-N	409.921	4.575	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)[nH]n3)CCC2)cc1	1786447418	VLMUXPKEJYXURP-QGZVFWFLSA-N	416.953	4.688	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3cccnc3)cc2)CCC1	1788274813	KAKHEXRABUZWDP-FQEVSTJZSA-N	413.949	4.556	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccc2ccoc2c1	1788588882	NESFXKUAVLBFFW-SFHVURJKSA-N	400.837	4.715	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCc4ccoc4C3)CCC2)cc1	1790484080	CSYNTBLYTXSXHZ-VQIMIIECSA-N	414.933	4.536	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/Sc1ccc(C)cc1	1798386711	SURSTJPHNJOIFY-PKNDGLJWSA-N	421.006	4.647	50	20	HJGD	
C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl	1800013472	GPESESWMGRXWMP-WKCHPHFGSA-N	409.014	4.788	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)cc2Cl)n[nH]1	1823186807	ONCGTJWNLXPRNM-PBHICJAKSA-N	423.344	4.695	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(C)s2)CC1	1830314296	DJOSYAYBWYTBTK-FBWYZNFGSA-N	423.022	4.707	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C3CCCCC3)c2C)cc1	10742996	YPRVYRJGZJBPLF-UHFFFAOYSA-N	414.575	4.640	50	20	HJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC	215075418	YOPXKYGUPSWZSC-MDWZMJQESA-N	421.280	4.955	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)CCCc1ccccc1)C(c1ccccc1)c1ccccc1	727939891	QCRROLKDNKYWJC-FQEVSTJZSA-N	415.537	4.560	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl	730493095	ASLRPUHYFIKWSO-QWRGUYRKSA-N	418.107	4.865	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc(N2CCCCC2)s1	730569666	CRBYLKHOPVZZBD-UHFFFAOYSA-N	410.568	4.555	50	20	HJGD	
N#C/C(=C/c1cccc(OCC(=O)O)c1)c1nc2cc(C(F)(F)F)ccc2s1	733206063	CFRABHREDGMTDN-SDQBBNPISA-N	404.369	4.843	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1C	734256100	KCWWADUCIRBSAY-UHFFFAOYSA-N	421.932	4.764	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)Cc2ccccc2)c1C	735263911	LJQAPYFFPNAKOL-QMFLXTPQSA-N	407.558	4.604	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	735697999	VOHBBNUOWSYIHO-UHFFFAOYSA-N	409.314	4.928	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ncccc3C(F)(F)F)o2)c(C)c1	740100819	QWJCBFWOOOTBGX-UHFFFAOYSA-N	405.376	4.646	50	20	HJGD	
O=C(NN=Cc1cnn(-c2ccc(Br)cc2)c1)c1cccc2ccccc12	741462876	QDPHGEXUKFEDIH-UHFFFAOYSA-N	419.282	4.552	50	20	HJGD	
CN(C)c1ccc(NC(=O)NN=Cc2cc(Cl)ccc2OCc2cccnc2)cc1	741764873	CGXXOIAUSCHHKQ-UHFFFAOYSA-N	423.904	4.536	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1sccc1-c1ccc(F)cc1	743741848	LNYRZIDWABUJQQ-UHFFFAOYSA-N	418.490	4.637	50	20	HJGD	
C[C@@H](C(=O)NNC(=S)Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1	747522693	QGAFXMRCVJXXEF-SECBINFHSA-N	402.734	4.768	50	20	HJGD	
CCOCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OC	747612342	ADYZMUCXKMSHHW-XNTDXEJSSA-N	404.388	4.796	50	20	HJGD	
N#Cc1ccc(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)s1	748777432	ARLCVHCNOGONHG-UHFFFAOYSA-N	417.519	4.552	50	20	HJGD	
COc1cc(C(C)=O)ccc1S[C@H](C)C(=O)/C(C#N)=C1\Nc2ccccc2S1	749849399	QFOZHPZQQAZPQW-IKGJXOFFSA-N	410.520	4.900	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c(Br)c1O	761014380	XSROUEKDYQEAJF-MDWZMJQESA-N	411.255	4.743	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(Cl)c(F)c2)c1C	762722123	CCYMJFLCLJBNAY-SMLKNPDNSA-N	417.912	4.670	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F	766593601	JJSJXFAZAGKOPV-VXGBXAGGSA-N	401.860	4.680	50	20	HJGD	
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NNc2ccc3ccccc3n2)c1	775603016	CDIMZHFNFNXRJF-UHFFFAOYSA-N	411.893	4.517	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2c(s1)-c1ccccc1OC2	779200695	LOIARHQRKNCORI-UHFFFAOYSA-N	406.385	4.963	50	20	HJGD	
CC/C=C\CCOC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	781869166	OSSNKVXUWWDMNW-AKSPPSHISA-N	408.889	4.924	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	784804184	BBEMVMIXBKGQMW-UHFFFAOYSA-N	413.827	4.738	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1C(=O)N(C)C(C)C	786054116	WNYRKZMUEYDGRD-UHFFFAOYSA-N	424.423	4.523	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1	788533211	GJIVBXDNKBTWAR-CQSZACIVSA-N	401.388	4.997	50	20	HJGD	
CS(=O)(=O)c1ccccc1CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	790934112	PQVPTZBMOMOWBH-UHFFFAOYSA-N	415.405	4.929	50	20	HJGD	
O=C(NNc1ncncc1F)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	817081275	YMPBITKUMOTHBE-MRXNPFEDSA-N	423.300	4.899	50	20	HJGD	
CC(=O)N[C@H](CC(=O)NN(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	821697185	HMPYSAGFPJHTBT-JOCHJYFZSA-N	407.901	4.777	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2N2CCCCCC2)c1C	881023065	RKUGKKNTZBFDRX-OQKWZONESA-N	420.557	4.677	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)NCCCC2CCCCC2)c(-c2ccccc2)n1	915199901	OGEWQRRVMSTJOL-XLNRJJMWSA-N	415.541	4.847	50	20	HJGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1nc2ccccc2nc1Cl	915852481	NHNJCDNVQGUUNM-XFXZXTDPSA-N	402.763	4.848	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Oc2ccc(Cl)cc2)c(-c2ccccc2)n1	916851468	OSNWGKYNWKCBBD-GHRIWEEISA-N	402.841	4.630	50	20	HJGD	
Cc1cc(OC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)ccc1[N+](=O)[O-]	917368343	OQGNIJHWZGWNJT-NRFANRHFSA-N	403.390	4.577	50	20	HJGD	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCSc2c(F)cccc21	918210768	UHWPXWLXDNBQHP-GFCCVEGCSA-N	420.819	4.756	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	918679390	UQLJBTDCOBBNJV-HUUCEWRRSA-N	401.498	4.716	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(CCCl)cc3)cc2)cc1	921020408	JEGHQQDAOPUJJO-UHFFFAOYSA-N	412.898	4.933	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1824013708	QLZLCEIZDCCAEL-GOSISDBHSA-N	414.993	4.544	50	20	HJGD	
CCSc1nnc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)s1	23896917	VXZRCLKXQNUCIE-QFPXSISXSA-N	406.583	4.653	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)N2CCCC2)c(C)n1CC(C)C	115251403	QZEAQLGLMOJXLL-STZFKDTASA-N	418.541	4.543	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1OC(F)F	210003333	LULLEDNRRCRBQC-LCYFTJDESA-N	424.350	4.834	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCc2coc(-c3ccc(C)cc3)n2)c1C	726538609	ZJBVVBOODHTJOL-HYARGMPZSA-N	416.525	4.744	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)c1nc(N)nc(Nc2ccccc2)n1	727435132	QFFVDVDHBGMUTI-XYOKQWHBSA-N	416.794	4.934	50	20	HJGD	
CCCC(=O)Nc1ccc(O)c(C(C)=NNC(=O)c2c(Cl)cccc2Cl)c1	727781488	OMQFUCKTFFZEHJ-UHFFFAOYSA-N	408.285	4.592	50	20	HJGD	
Cc1oc(-c2ccccc2)nc1CC(=O)NNc1ccc(Br)cc1Cl	729276259	AEZXYTXEVSSIRL-UHFFFAOYSA-N	420.694	4.752	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)cc1	730843027	VZZMGHACMNHGMH-FGZHOGPDSA-N	419.550	4.748	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2C#N)c1)c1ccccc1	731320373	YXSMAHMKYXZZMW-QCYAWUEASA-N	407.473	4.922	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc1C	738555768	JVJMMFSENQYNTD-AWEZNQCLSA-N	409.477	4.519	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1	740763358	AFHGAEKNNJNVNR-LDADJPATSA-N	420.900	4.756	50	20	HJGD	
O=C(NNC(=O)N[C@@H](c1ccccc1)C1CC1)Nc1ccc(-c2ccccc2)cc1	743521219	PAGLAUYQHIFHSO-QFIPXVFZSA-N	400.482	4.841	50	20	HJGD	
CCC(CC)c1cc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)on1	743657020	YDGXVFMAYUBQCJ-UHFFFAOYSA-N	421.501	4.781	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc2cnccc12	744457521	XDFRVXVKASMWTI-UHFFFAOYSA-N	418.456	4.525	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc(NC(=O)C2CCCCC2)c1	747588802	SZEGOYCZUJJOEE-UHFFFAOYSA-N	405.420	4.981	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2c(Cl)nc3sccn23)c1C	747647306	PBODKLPJXGREAX-MHWRWJLKSA-N	416.934	4.918	50	20	HJGD	
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NNc2cccc(F)c2)c1	748090446	UJISXTBLSDQBMJ-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1	751169987	KNRYQKWTUADJQR-UHFFFAOYSA-N	424.384	4.522	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2cccc(Oc3ncccn3)c2)c(C)n1CC(C)C	751193921	KCINOUWHYIGPEK-UDWIEESQSA-N	416.481	4.856	50	20	HJGD	
O=C(Cc1ccc(OCc2ccccn2)cc1)NNc1c(Cl)cccc1Cl	752104340	LCIYKANAJULXSW-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Br)c(C)c2)cnn1C1CCCC1	752635236	ZWLKMBMIYGGLJK-UHFFFAOYSA-N	405.340	4.779	50	20	HJGD	
COCCCN1CCC(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752974753	RCQOVZFAZRSSAZ-UHFFFAOYSA-N	417.444	4.966	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1nc2ccc(F)cc2s1	761392775	PONMKQUHZAJJAU-IZZDOVSWSA-N	401.850	4.952	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCc2sccc2C1	762637781	XYNOTBHIQTVOLW-UHFFFAOYSA-N	412.405	4.929	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1cccc2ccccc12	766262358	XVTRKMZPRPXKQG-UHFFFAOYSA-N	408.672	4.882	50	20	HJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(OCCN3CCOCC3)c(Cl)c2)n1	768489386	CVVCJXNCLDFQAN-GZTJUZNOSA-N	417.962	4.695	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2ccnc(Br)c2)cc1F	771547892	VWZYBRAJZJEQTG-UHFFFAOYSA-N	418.241	4.855	50	20	HJGD	
O=C1NC2(Cc3ccccc3C2)C(=O)N1c1cccc(S(F)(F)(F)(F)F)c1	771859917	KZSXFOCWFQHXHJ-UHFFFAOYSA-N	404.360	4.938	50	20	HJGD	
O=C(NCCc1cccc(F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772854322	RTEWHFYYHHRTLD-UHFFFAOYSA-N	412.355	4.781	50	20	HJGD	
Cc1ccc([C@@H](C)NCCP(=O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	775549949	SAOPINUVBBMLSF-LJQANCHMSA-N	408.438	4.568	50	20	HJGD	
C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNc1ccc(C(C)(C)C)cc1	780808229	BCYSRAJQHREFMW-GFCCVEGCSA-N	408.329	4.553	50	20	HJGD	
Cc1cc2cc[nH]c2cc1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	781547062	POSZKCIBLIUMEP-TUJQNWBVSA-N	402.498	4.619	50	20	HJGD	
C[C@]1(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO[C@@H]1C1CC1	784485848	LNFXSWIHLBRJJZ-KGLIPLIRSA-N	407.426	4.580	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccccc2CCC(F)(F)F)cc1	784803152	BWARKJQNBNAQBL-UHFFFAOYSA-N	407.436	4.561	50	20	HJGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)C(=O)Nc1ccccc1Br	788100249	WJBJQOBIVFCTHX-FLIBITNWSA-N	400.257	4.711	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1nc(Br)sc1C1CC1	807115995	HJMDTOBROOEAQG-UHFFFAOYSA-N	406.227	4.559	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)c(F)cc2Cl)c1C	808865499	TVBIFXGLCGNECO-CNGOAVBNSA-N	403.885	4.959	50	20	HJGD	
Cc1csc(C(=O)NNc2c(C)cccc2C(C)C)c1I	812769126	VVWOPNZFLZWQLV-UHFFFAOYSA-N	414.312	4.850	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	815872665	OBNVRIMSRGOUAQ-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(C(C)C)no2)c1C	858932961	NEOSYXHJCNBWAX-YBFXNURJSA-N	404.470	4.559	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1	898462625	RTBNKRPSGCUPNM-MNJKBJKMSA-N	423.582	4.643	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c2)cc1	915843683	QABSSNFPFJZNHG-QQMPCTHBSA-N	417.509	4.549	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)N1CCCC1	915846313	MAYYAJYTPYQYBC-GDNBJRDFSA-N	414.292	4.775	50	20	HJGD	
CCC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccccc1	917369281	BFMOKPHRBYSBAQ-WJHPNJQFSA-N	405.542	4.849	50	20	HJGD	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NNC(=O)c1ccc2ccccc2c1	918014759	QCMBZOBMTZMNQC-UHFFFAOYSA-N	402.281	4.633	50	20	HJGD	
CC[C@H](C)c1ccc([C@H](NC(=O)NNC(=O)CC(F)(F)F)c2cccs2)cc1	918059770	MHOJYRLHQAAAMQ-SJCJKPOMSA-N	413.465	4.634	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)Cc2ccc(C(F)(F)F)cc2)cc1	918679411	VGGBPOPYTPYTRC-UHFFFAOYSA-N	409.477	4.608	50	20	HJGD	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCOc2c(Cl)cccc21	919918892	XVXCCMNSQHFAFC-GFCCVEGCSA-N	421.206	4.557	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c(C)n1CC(C)C	920232942	RCVXSOYVGXDVFD-OFQQXNOBSA-N	419.569	4.952	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)Nc1ccc(-c2nc3ccccc3o2)cc1	920931407	OGCOFBPMHYENSD-UHFFFAOYSA-N	406.829	4.615	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc([N+](=O)[O-])c2)c(C)n1C1CCCCC1	921287839	FOZJVOIXSNOIMU-MOSHPQCFSA-N	406.486	4.742	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)cc1Cl	1337717808	ZLHQWROFPPIDTP-UHFFFAOYSA-N	423.879	4.698	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cccc2ccncc12	1788588876	NDDNRMRXYBZRKG-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)cc3F)cc2)CCC1	1790662013	XAPSKVBYERRNKG-UHFFFAOYSA-N	418.896	4.544	50	20	HJGD	
O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1791325379	HTNGLJYFORRCIT-ILXRZTDVSA-N	409.357	4.751	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1	1815324750	WTVQRTFBNRNVGC-YYTGVUGMSA-N	420.985	4.780	50	20	HJGD	
CCC(=O)Nc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	44547614	RKNHAINKIVJSAK-RGVLZGJSSA-N	406.530	4.964	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CCC(=O)OC)cc2)c1C	729415384	CSACPFPTSUQYSE-RCCKNPSSSA-N	407.514	4.556	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NNC(=O)CC(C)(C)C	730141527	SENPKWSXURMNEL-GFCCVEGCSA-N	408.955	4.600	50	20	HJGD	
C[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1nc(-c2ccccc2)cs1	730573384	GIMDDJAAWMLYSK-AWEZNQCLSA-N	406.960	4.631	50	20	HJGD	
Cc1cc(NNC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)ncn1	734255128	CHZDXHZJIVYYEJ-UHFFFAOYSA-N	419.916	4.517	50	20	HJGD	
C[C@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(C)(C)C	734696156	NNMYAPUNHKUYPB-MEBBXXQBSA-N	410.889	4.643	50	20	HJGD	
COC[C@@H](NC(=O)NNc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1	735759159	SZSVWNKNHRYZGH-OAHLLOKOSA-N	421.341	4.738	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)Cc2c(C)noc2C)c1C	737667765	WPLIQFVPGUJYAO-GLFIFPSUSA-N	416.525	4.662	50	20	HJGD	
Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(CCCl)cc2)c1	738377718	ZRRRXETYQTYPEL-UHFFFAOYSA-N	414.958	4.562	50	20	HJGD	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3cccc(Br)c3)sc2c1	742769600	PTSSTFRPNPHCCI-UHFFFAOYSA-N	423.719	4.700	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cc(Cl)ccc1Br	743433934	GWKJXZCIPIRRCR-UHFFFAOYSA-N	401.691	4.949	50	20	HJGD	
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1NC(=O)OC(C)(C)C	743485013	DOCLURKRFQMCPY-UHFFFAOYSA-N	410.396	4.513	50	20	HJGD	
COc1cc(C(=O)NN=Cc2ccc(SC)c(OC)c2)ccc1OCCC(C)C	746484891	BSJMIJMNBNCIMC-UHFFFAOYSA-N	416.543	4.615	50	20	HJGD	
Cc1cccn2cc(COc3ccc(C(=O)NNc4ccc(Cl)c(F)c4)cc3)nc12	746699452	AIXTVZYXUGLZAG-UHFFFAOYSA-N	424.863	4.771	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1	746886039	HOCBUHFJMFPIER-UHFFFAOYSA-N	403.360	4.658	50	20	HJGD	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)NNC(=O)CCOc1ccccc1	747102260	KGWKOUARAIKUBE-GOSISDBHSA-N	423.538	4.521	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)cc1Br	748701615	PYOISNGPTNTRDV-UHFFFAOYSA-N	423.616	4.801	50	20	HJGD	
O=C(NN=Cc1cnc(-c2cccs2)s1)c1ccc(F)cc1Br	751526280	IVYHYEIRQXJEHV-UHFFFAOYSA-N	410.293	4.537	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C	753168824	HTPBYFYVLRAXQW-UHFFFAOYSA-N	406.280	4.602	50	20	HJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2nc(C(F)(F)F)cs2)on1	755854252	AWMGGMKGKPJKRP-UHFFFAOYSA-N	414.434	4.508	50	20	HJGD	
CN(C)[C@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	760032886	HQMYKCJYTSRHJQ-SWLSCSKDSA-N	409.905	4.854	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OCc2ccc(Cl)s2)c(-c2ccccc2)n1	761395328	XWVRDCSNUKMAEV-LFIBNONCSA-N	422.897	4.829	50	20	HJGD	
Cc1ccn2c(=O)c(C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)cnc2c1	762518038	ITVZDRXTBNRQRG-UHFFFAOYSA-N	405.348	4.913	50	20	HJGD	
O=C(O)CCN(C1CCCC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776684357	WEJLEDQACBPAKN-UHFFFAOYSA-N	423.425	4.752	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(F)cc1F	783461227	PKYLLXZLBDYYCJ-UHFFFAOYSA-N	423.331	4.741	50	20	HJGD	
Cn1cnnc1SCc1ccc(C(=O)NN=CC2CCC(C(C)(C)C)CC2)cc1	783790560	WFWKDNHGFJFCHS-UHFFFAOYSA-N	413.591	4.676	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)ccc1OCCC(=O)O	784961739	IVCAGAQDTSQMIK-MDWZMJQESA-N	414.870	4.876	50	20	HJGD	
Cc1sc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)cc1-c1ccc(F)cc1	788261747	DGWHZXHFJOMDQQ-UHFFFAOYSA-N	412.490	4.713	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1	794950078	VDFIRRNDBOIXHG-QNGOZBTKSA-N	403.482	4.626	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3c(Br)sc(C)c3C)c(C)cc2c1	799717196	KVJCBAQTIMGKQU-UHFFFAOYSA-N	420.332	4.750	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(F)ccc(Br)c1F	799889581	PZERNWWIAYXQAK-PKNBQFBNSA-N	407.214	4.672	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2cc(F)ccc2F)c(C)n1CCC(C)C	800107801	USBAKUDXIJNQHJ-ZDLGFXPLSA-N	414.452	4.762	50	20	HJGD	
O=C(NNc1ncccc1F)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	804219994	KNNIZMFHUQZLFV-UHFFFAOYSA-N	419.243	4.537	50	20	HJGD	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	806183275	BYBUBDOIUMJOQZ-DVOMOZLQSA-N	421.916	4.996	50	20	HJGD	
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	806183813	KTUCTJGAZNMSQR-IVMMDQJWSA-N	421.916	4.996	50	20	HJGD	
COc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1OC	806554046	IGYLPDLQORXVIP-ZSOIEALJSA-N	412.294	4.657	50	20	HJGD	
COc1cccc(C2(NCc3ccc(OCCCCl)cc3)CCOCC2)c1F	811497392	YZTJHRKCVFANHE-UHFFFAOYSA-N	407.913	4.638	50	20	HJGD	
CC(=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F	812434512	QXABCIYWKGCLQS-HNNXBMFYSA-N	422.435	4.892	50	20	HJGD	
O=C(NNc1ncc(F)cc1F)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1	857532695	UOCJCKBLBQZQEG-UHFFFAOYSA-N	411.305	4.942	50	20	HJGD	
C[C@H]1CN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc21	914463967	NUXRGAODSRSYQU-KWJZBXMYSA-N	421.504	4.517	50	20	HJGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2sc(Nc3ccccc3)nc2Cl)c1	916297951	QFWJFRWLJDTPED-UHFFFAOYSA-N	414.918	4.686	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccc2c(c1)OCCO2	918560183	XRQKZLPMZQFKOM-MRXNPFEDSA-N	403.809	4.929	50	20	HJGD	
Cn1cc(C=NNC(=O)COc2ccc3ccccc3c2)c(-c2cc3ccccc3o2)n1	920371836	OFHCPIWPNUHBTP-UHFFFAOYSA-N	424.460	4.516	50	20	HJGD	
O=C(NN=Cc1ccccc1N1CCCC1)c1cc(-c2ccncc2)nc2ccccc12	1317704786	ZSBMVZNAQHPILD-UHFFFAOYSA-N	421.504	4.661	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1	1319491407	QRKANGWQGUQIJI-UHFFFAOYSA-N	401.445	4.502	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1csc(Cc2ccc(Cl)cc2)n1	1325775289	BNAZJZDRGLSJCC-UHFFFAOYSA-N	412.824	4.558	50	20	HJGD	
O=C(CCc1ccccc1Cl)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1787803365	MLOOUZKIMCPHOW-LJQANCHMSA-N	423.315	4.941	50	20	HJGD	
C[C@@]1(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)CC=CCC1	1789650057	DSALXWVVODYRKJ-JOCHJYFZSA-N	414.622	4.718	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)nc3C)cc2)CCC1	1789915931	WNTKFCKXRDCKLH-GOSISDBHSA-N	417.912	4.684	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)[nH]n3)cc2)CCC1	1790126467	GYFXMUXLCLDHSS-QGZVFWFLSA-N	416.953	4.688	50	20	HJGD	
C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H](Cl)CCC)CCC2)cc1)C(F)(F)F	1791303224	MZUVOCYILIRBPF-OAHLLOKOSA-N	402.844	4.647	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C2	1793681571	WXBVEPKZJHOOBV-FZKCQIBNSA-N	411.011	4.705	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1	1820592108	QPOHLTPMQAALSH-MJGOQNOKSA-N	416.953	4.856	50	20	HJGD	
CCCCC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1	1822001887	HCXCBTDGVYYORL-NVXWUHKLSA-N	410.990	4.883	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1	1825298440	XBYUPFOXLZHAPV-GHOSXJJBSA-N	423.022	4.646	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)CCCCc1ccc(C(C)(C)C)cc1	726986387	BLZMRNMIURXIMN-UHFFFAOYSA-N	413.587	4.723	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(Oc2ccc(F)cc2)cc1	727792705	MHEWVAHZIMQUHC-UHFFFAOYSA-N	419.239	5.000	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(CN(CC)CC)cc2)c1C	728225317	IBPAGSAREJVUCO-BUVRLJJBSA-N	406.574	4.580	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc3ncccc3c2)c1C	729800974	NSQTVGBDJXWRGY-MTEVNVADSA-N	403.482	4.511	50	20	HJGD	
O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NNc1ncccc1Cl	734246178	ADVFLDWSWKFBCE-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c1C	734783901	WPKMFYWTBYKTSA-JJWXFRNXSA-N	418.585	4.764	50	20	HJGD	
COc1cccc(C[C@@]2(C(=O)NNc3cc(F)c(F)cc3F)C[C@H]3CC[C@H]2C3)c1	735520583	QEDHSCAEQZKFTR-AYSMAOOMSA-N	404.432	4.605	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(c3cccc(Cl)c3)CC2)c(C)n1C[C@H]1CCCO1	740810731	WTHXXMAFHZLANE-GSERBOKHSA-N	423.944	4.650	50	20	HJGD	
N#C/C(=C\c1nccc2ccccc12)c1nc(O)c2cc(Br)ccc2n1	740872235	KABMWZZDEIURIF-UKTHLTGXSA-N	403.239	4.710	50	20	HJGD	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2c(C)nn(CCCl)c2C)cc1	741639317	FJZREXRHLWADHA-OAHLLOKOSA-N	411.933	4.905	50	20	HJGD	
O=P(CCN[C@H](c1ccccc1)C(F)(F)F)(c1ccccc1)c1ccccc1	744235935	DUQOMPJEDNTIHY-OAQYLSRUSA-N	403.384	4.894	50	20	HJGD	
N#Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1C(F)(F)F	746897313	UHKNRBYMCQESPN-LSDHHAIUSA-N	424.220	4.586	50	20	HJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC	747034929	ZMLROUYKZCPFFQ-CXUHLZMHSA-N	412.873	4.858	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21	748672653	KXOPGEUGLUXMRS-HNNXBMFYSA-N	423.538	4.527	50	20	HJGD	
CC(C)[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)c1cccc(C(F)(F)F)c1	749564981	LRZXTRLUGNYVTL-SFHVURJKSA-N	419.403	4.793	50	20	HJGD	
O=C(NCCCN1CCCCC1=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752977783	QMJGSATWYZDOBZ-UHFFFAOYSA-N	401.401	4.868	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)CCCc2ccccc2)cc1	755757480	VZWWCTPJFHKLEL-QHCPKHFHSA-N	412.493	4.518	50	20	HJGD	
CC(C)OCc1cccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)c1	756221968	JPVCBGCULYEEIF-UHFFFAOYSA-N	417.918	4.946	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(F)c(Cl)c2)c1C	762372035	BFZRDEJDWFBPGQ-GDXCHIGESA-N	417.912	4.670	50	20	HJGD	
CCC(=O)c1ccc(OC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)c(F)c1	766547875	JKLIZMBJIHEMTG-GDXCHIGESA-N	412.461	4.557	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C#N)C(=O)c2cccc(F)c2)cs1	772177939	CQUSGXRFOXIQJO-GDNBJRDFSA-N	409.417	4.896	50	20	HJGD	
N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773611464	IQQBWBOTEWVFGF-UHFFFAOYSA-N	423.363	4.818	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(NC(=O)NNc2ccccc2[N+](=O)[O-])cc1F	775650232	NFTZYDLQSFQUAO-UHFFFAOYSA-N	407.361	4.546	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1coc(-c2ccccc2Cl)n1	776342539	JHOSTPXLWHNIHB-UHFFFAOYSA-N	414.918	4.750	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)CCc1ncc(-c2ccccc2Cl)o1	777480216	SSUFDRGRERTCKK-UHFFFAOYSA-N	406.873	4.928	50	20	HJGD	
CCn1nc(C)c(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1C	777631995	HOEWYUGHSZEOJE-UHFFFAOYSA-N	405.414	4.978	50	20	HJGD	
Cc1[nH]ccc(=NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1Cl	777685854	ZAVUEHCXQFBXPP-UHFFFAOYSA-N	408.801	4.924	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H](OCC2CC2)C1	778090477	IUCGXVZGCDLDGM-ZDUSSCGKSA-N	421.453	4.924	50	20	HJGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)CCO1	781970515	PFYNZRUCDQBWOU-XHDPSFHLSA-N	423.273	4.752	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(C3CC3)no2)c(C)n1-c1ccc(F)cc1	782353224	ZBZRCYOOFOLGDN-LZNAANCOSA-N	420.444	4.705	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H]2c2cccnc2)c(C)n1-c1ccc(F)cc1	783670978	UYDZCLZUKJMLKO-WNOSOOIWSA-N	414.484	4.899	50	20	HJGD	
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NNc1cc(Cl)ccc1Cl	786425867	AVBMGHOUTXMEDX-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)ccc1OC	787153875	GTMJQZFEHDPWGZ-KDWLXDBESA-N	408.498	4.665	50	20	HJGD	
COc1ccccc1COc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1C	787475534	SXTPTAPOBWZNDA-ZHZULCJRSA-N	414.461	4.834	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCCC[C@H](S(C)(=O)=O)C2)cc1	792882650	VYFTVPHJORUZKZ-FQEVSTJZSA-N	411.684	4.608	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNC(=S)Nc3ccccc3C(C)C)cc2)cs1	799730685	BANXVGZQSAAYEU-UHFFFAOYSA-N	410.568	4.873	50	20	HJGD	
O=C(NNc1cccc(F)n1)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12	806254625	XZWLTASYVWGGMI-UHFFFAOYSA-N	407.380	4.849	50	20	HJGD	
CCC[C@@]1(CO)CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	808813121	BYOXRDOVNKNLDI-GDBMZVCRSA-N	410.889	4.922	50	20	HJGD	
CC(C)(C(=O)NNc1cccc(F)n1)c1csc(-c2c(F)cccc2Cl)n1	811525037	CYEWXNRNOJPLFN-UHFFFAOYSA-N	408.861	4.558	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1	811557870	IBSPNIZOUZOFPP-HRCADAONSA-N	411.593	4.689	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]c(C(F)(F)F)c1	817016371	RMAAPGBXNCOIRF-UHFFFAOYSA-N	405.220	4.828	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1cccc2ccccc12	915903057	UOPGUPMFDVEQPX-CQSZACIVSA-N	413.930	4.677	50	20	HJGD	
CCCCn1nc(C(=O)NN=C(C)CC(C)(C)c2ccccc2)c2ccccc2c1=O	915946728	RCGUROXHEOELKB-UHFFFAOYSA-N	418.541	4.670	50	20	HJGD	
CCN(Cc1ccc2ccccc2c1)C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	920013888	HZEZWMBZZIOFEH-XYGWBWBKSA-N	415.537	4.860	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccnc3Cl)cc2)CCC1	1785753780	MMYOUQZABFCEAY-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3c(C)c[nH]c3C)CCC2)cc1	1790484287	JIJHMTDYEHARCL-HXUWFJFHSA-N	415.965	4.716	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1	1815322437	NBTYEJGMJRSCKJ-QSUVVDIXSA-N	420.985	4.636	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1824137629	LMZJLGKIGJFNGM-HXUWFJFHSA-N	409.014	4.640	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826366294	SUUWDVZRXYVSNU-FGZHOGPDSA-N	419.009	4.646	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1	1830356218	QHBDJIIJAIRWMY-LKWCPCFXSA-N	409.014	4.760	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)cc2)c1	209225343	MWQYZBTZBZNZLD-UYRXBGFRSA-N	402.425	4.959	50	20	HJGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNC(=S)Nc1ccccc1C(C)C	727178203	OFNMLYHCBVDWPI-UHFFFAOYSA-N	410.568	4.873	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(OCC#N)cc2)c(C)n1C1CCCCC1	727677519	CMPBLSQUQKGIEF-PXLXIMEGSA-N	416.525	4.736	50	20	HJGD	
O=C(NNC(=O)C1(c2cccc(Cl)c2)CCCC1)c1c(Cl)cccc1Cl	727792598	YJPLNSFKUHAERI-UHFFFAOYSA-N	411.716	4.920	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)/C=C\c2cccc(OC3CCCC3)c2)c1	727864517	LVMHKCGFNBWQCV-SEYXRHQNSA-N	409.555	4.656	50	20	HJGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc(-c2ccc(Br)cc2)s1	728784765	SOQUHFAFNSRUJI-UHFFFAOYSA-N	414.328	4.656	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CC(c3ccc(C)cc3)C2)cc(OCC)c1OCC	729818426	SNERFAUAYWCUBY-UHFFFAOYSA-N	410.514	4.855	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc([S@@](C)=O)c2)c(C)n1-c1ccccc1F	732122883	KQHSKEVIXMWMHK-ADCIUVMESA-N	421.497	4.516	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1csc(-c2cc(Br)cs2)n1	735698013	GAVDTIZJVJWNBO-UHFFFAOYSA-N	416.272	4.669	50	20	HJGD	
O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)NNc1c(F)cccc1F	735754556	SRSOFXKRKYRIBV-KRWDZBQOSA-N	406.436	4.904	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c1C	737609391	NXOCCBKCWSODCT-QQNORIDOSA-N	419.569	4.932	50	20	HJGD	
CC[C@H](NNC(=O)c1ccc(Br)cc1Cl)c1ccc(F)cc1F	738417318	WQEXYHQGOJGKRL-HNNXBMFYSA-N	403.654	4.766	50	20	HJGD	
CC1(C)C(=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)[C@H]2CCCO[C@@H]21	743424463	KVOSBZQIVXZJMY-CTNGQTDRSA-N	412.917	4.840	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	743482775	NXWKJZJSCBJCCP-UHFFFAOYSA-N	411.305	4.942	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(OCC3CC3)cc2)c1C	745813853	LDLWPPMVOPNYQF-KKJJZKEWSA-N	408.498	4.614	50	20	HJGD	
Cc1nc(CCC(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)oc1-c1ccccc1	746894901	DFHLEEAGGKWHNQ-UHFFFAOYSA-N	414.387	4.616	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc(Br)c2)ccc1NC(=O)OC(C)(C)C	748020369	GFRLNOULIBRGED-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c1	748413009	MYPBUQKWXVXSRZ-UHFFFAOYSA-N	406.269	4.934	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1NC(=O)c1ccccc1	748656641	ZGZUZLHOBJSDFJ-UHFFFAOYSA-N	411.408	4.606	50	20	HJGD	
O=C(NNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1cc2ccccc2o1	749473702	LGFNVAXPAXXCIC-JKSUJKDBSA-N	417.490	4.554	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1	752757183	RMPCAKPHUNCZBY-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
N#Cc1ccc(NNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1Cl	753317426	JXWXARXRLQLGCB-UHFFFAOYSA-N	403.294	4.674	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H](c1ccccc1)c1ccccn1	754531347	KMHAXQYHNYRHFF-SFHVURJKSA-N	404.367	4.655	50	20	HJGD	
CC(=O)CCc1ccc(OCCC(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cc1	757425545	PATXODFDFDGRGX-UHFFFAOYSA-N	407.422	4.644	50	20	HJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)Nc3nc4ccccc4nc3Cl)cc2c1	763278110	VUAJPMZBAJYNRK-JLHYYAGUSA-N	404.813	4.584	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Br)cc1	767085020	XRFOFCAXRVMOCT-JTQLQIEISA-N	412.209	4.586	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1	768704512	SDKZFEPPUCJIPP-UHFFFAOYSA-N	413.264	4.596	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccsc1NC(=O)c1ccccc1Cl	771706112	CIVPFWSHBONAEK-UHFFFAOYSA-N	403.866	4.858	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3nnc(C)n3C)c2)c1C	773168432	DEIBTKVFPZGMTF-FYJGNVAPSA-N	416.529	4.555	50	20	HJGD	
Cc1nnc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)s1	781864586	RPODTEIXOYDFKS-ZVCOJXFSSA-N	406.511	4.774	50	20	HJGD	
C=C(C)[C@H](CC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)OCC	783461739	VWNGPNYAKFOSNG-ZDUSSCGKSA-N	423.425	4.520	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C(=O)Nc1ccc(SC(F)F)cc1	784878823	URZPJOIPILUUNS-UHFFFAOYSA-N	424.231	4.529	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3F)o2)cc1OC	790101935	VEXIWAZZWUBRCF-RAXLEYEMSA-N	410.376	4.788	50	20	HJGD	
COc1cc(NNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)ccc1Cl	790165405	ALORKCSHGIVPSB-UHFFFAOYSA-N	410.232	4.861	50	20	HJGD	
COc1cc(NNC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)ccc1Cl	790176826	WHWIHNRPOVMZMI-HNNXBMFYSA-N	408.885	4.826	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	790588718	KRLLWYKJEPLBQE-UHFFFAOYSA-N	406.826	4.576	50	20	HJGD	
N#C/C(=C/c1c(F)cccc1Br)S(=O)(=O)c1ccc(Cl)cc1	794935478	ZGRBIQGNSSYKDL-WQLSENKSSA-N	400.656	4.580	50	20	HJGD	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)C1CCCC1	797432956	ZVNLXQCHHCSJOT-UHFFFAOYSA-N	410.301	4.552	50	20	HJGD	
N#CCCCCCC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	805915038	VPZHBYQDBNYJNB-UHFFFAOYSA-N	406.398	4.623	50	20	HJGD	
C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	806421889	GBGKHWZOEODCRJ-JSGCOSHPSA-N	415.428	4.671	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H]1COc2ccccc2[C@@H]1O	808843105	LINIRVVHTRTREZ-ZFWWWQNUSA-N	410.364	4.960	50	20	HJGD	
O=C(CCc1nc2ccccc2[nH]1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015786	RTZUTTQKWXZCBN-UHFFFAOYSA-N	416.325	4.676	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccc(C)cc1C	914514718	LPWHSOXAYYQDMF-CLMUKVTESA-N	405.542	4.861	50	20	HJGD	
Cc1n[nH]cc1C=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	915938151	QYPOEBVPNPWLRP-UHFFFAOYSA-N	410.477	4.728	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1	916227656	ICGRTKXQJZOVCD-QHCPKHFHSA-N	413.477	4.729	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)cc2)n1	916295460	WKYZPZWAFLUVQH-NCYKPQTJSA-N	420.582	4.928	50	20	HJGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Cl)cc2)cc1	916306789	AUABGEIDKXYDIT-UHFFFAOYSA-N	409.829	4.591	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3cnco3)cc2)c1C	918628848	QQCABIMNVHNSIQ-OBLBUWMUSA-N	404.470	4.513	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(COC(C)C)cc2)c1C	919936594	GTLUTBYCTNRVTP-WQFTWXBESA-N	409.530	4.783	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(n3cc(Cl)cn3)CC2)c1C	1320200740	RAJKCKVTWGRAQQ-UNOMPAQXSA-N	413.953	4.526	50	20	HJGD	
CC(C)(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)ccn1	1787035830	ZQTUMCUETWOYCP-SFHVURJKSA-N	417.912	4.661	50	20	HJGD	
C[C@@]1(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Br)cc3)CCC2)CC=CCC1	1790537466	PSHYWQHFURNEMF-QFBILLFUSA-N	423.326	4.557	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Br)cc2)CCC1	1791434434	JVZXVAVFSMYXSY-MAUKXSAKSA-N	419.363	4.672	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1C	15665440	WLJJQHWGBMYFTP-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CCSc2ccc(Cl)cc2)cc1	727497108	HDRDVOPMDLNLAW-UHFFFAOYSA-N	423.991	4.627	50	20	HJGD	
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NNC(=O)CCCc1ccccc1	727716940	LYHOSDMFOCYOPQ-FMIVXFBMSA-N	410.823	4.542	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2scnc2-c2ccccc2)c1C	727993393	SJGYBWUJJAKLMR-VBNMEBLOSA-N	420.538	4.982	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccc(-c3ccccc3F)o2)c1	728432549	SLXMXNIXZGHGCN-UHFFFAOYSA-N	417.234	4.621	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)c1C	731171642	WGHNCTHGGZVLCL-MOSHPQCFSA-N	406.530	4.507	50	20	HJGD	
COc1ccccc1C(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1ccc(C)cc1	731487898	IMXPROKAGLSXOZ-UHFFFAOYSA-N	424.504	4.679	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc([S@@](C)=O)c2)c1C	732122352	CGKPDCJRVBIGFW-GSIQVWSFSA-N	417.534	4.686	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCCC[C@H]2c2ccc(C)o2)c1C	737742027	CUWDWBSZLONGQR-VAZXNAHHSA-N	409.530	4.704	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)c(C)c1	738555630	DATXUYDXZQMTQX-CQSZACIVSA-N	409.477	4.519	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](O)c2ccccc2Cl)c(C)n1CCC(C)C	740928889	MIARZZJPIBAYKI-PSXBWXLBSA-N	413.949	4.561	50	20	HJGD	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1cccc2ccccc12	743627941	ITDVTOXXIUVKMG-UHFFFAOYSA-N	402.281	4.633	50	20	HJGD	
Cc1ccc2c(CCC(=O)NNc3c(F)cc(F)cc3Br)c[nH]c2c1	744610102	VAXPNFFRFQMSNB-UHFFFAOYSA-N	408.246	4.593	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc2c(s1)-c1ccccc1OC2	748059263	JWYLLEJKIPZSLV-UHFFFAOYSA-N	401.285	4.827	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(C(=O)NNc2ccccc2Br)ccc1F	748066099	JUJZRXKLMGEHRM-UHFFFAOYSA-N	424.270	4.692	50	20	HJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	748149351	VWANSBKTUOTHRS-FOWTUZBSSA-N	401.378	4.638	50	20	HJGD	
Cc1c(NNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cccc1[N+](=O)[O-]	748683147	RATITNZRAFOGHE-UHFFFAOYSA-N	424.438	4.720	50	20	HJGD	
N#C[C@H](c1ccccc1)[C@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1	752303586	WBVJBDOQDHDJCW-CLJLJLNGSA-N	414.489	4.772	50	20	HJGD	
C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NNc1ccc(C#N)c(Cl)c1	753314798	BIWNJOBEXAGLKV-AWEZNQCLSA-N	406.873	4.513	50	20	HJGD	
Cc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)c(Br)c1	753688706	GNQFCWBDESYLLJ-UHFFFAOYSA-N	420.357	4.610	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	756178484	UUWPTLVGBLPBGK-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	758715827	SFGCOMBMQDRTLV-CZUORRHYSA-N	416.255	4.818	50	20	HJGD	
CCn1c(SCC(=O)NN=Cc2csc(Cl)c2Cl)nc2ccccc21	761827110	APPJVCVLDOLFIE-UHFFFAOYSA-N	413.355	4.667	50	20	HJGD	
CCO[C@H](CCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(C)C	762665424	MMZBGJOXXZTYIA-CQSZACIVSA-N	418.428	4.850	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCO[C@@H](C2CC2)C1	765121471	TUXIDLKTWLAWFC-KYOSRNDESA-N	408.873	4.985	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)c1C	766554418	KZBMZAINIYNAPG-QFBILLFUSA-N	405.608	4.777	50	20	HJGD	
COC(=O)Nc1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	769962398	QFWXQBPDRZOBIW-UHFFFAOYSA-N	403.653	4.974	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccn(-c2ccc(Cl)cc2Cl)n1	772818234	OVNVNXOWNJZZKZ-UHFFFAOYSA-N	413.211	4.537	50	20	HJGD	
COC1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCCCC1	772988550	GPHQQPXUCVPTQZ-UHFFFAOYSA-N	409.442	4.972	50	20	HJGD	
COc1cc(/C(C#N)=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1[N+](=O)[O-]	774563038	WQWKEEBEWCZNLR-VGOFMYFVSA-N	408.395	4.699	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1C)c1ccccc1	775181581	PBVJUSYKBYOBPP-WMZOPIPTSA-N	407.436	4.513	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(-c2ccccn2)nc2ccccc12	779208543	KQOVVFASFCAIJD-UHFFFAOYSA-N	424.382	4.952	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1cccc(NC(=O)c2ccoc2)c1	779418524	VUDDJHOBXYDILW-UHFFFAOYSA-N	420.347	4.579	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	780739361	LRODVBKKTYXGPB-UHFFFAOYSA-N	421.840	4.547	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)O[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)cc(C#N)n1C	782626757	GPRJYQCJSWWXFI-WZCGUGGKSA-N	420.856	4.725	50	20	HJGD	
CC(C)Sc1ccccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782821619	SRQOSRDROZFNHC-UHFFFAOYSA-N	405.523	4.995	50	20	HJGD	
COc1cc(NNC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)ccc1Cl	790176828	WHWIHNRPOVMZMI-OAHLLOKOSA-N	408.885	4.826	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCOCC3(CCOCC3)C2)cc1	792875735	JJQSBCQSPAFXRG-UHFFFAOYSA-N	405.655	4.837	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cccc(C2CCC2)c1	799100582	VQOQPXYWWPLNPX-UHFFFAOYSA-N	413.403	4.582	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799705955	SALILNCEHQUMEV-UHFFFAOYSA-N	401.394	4.781	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC23CCOCC3)c(C)n1C1CCCCC1	800195776	OWUHZUYGHHSWIS-LHBRDVBXSA-N	409.574	4.983	50	20	HJGD	
COc1cc(NNC(=O)c2cc(Cl)c(C)cc2Br)ccc1Cl	804630083	WSVKDKMKTPDVNM-UHFFFAOYSA-N	404.091	4.830	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C/C(C)=C\c2ccccc2OC(F)F)o1	811639920	KCEDUJIPSPLRKW-HMLSMWRWSA-N	405.445	4.542	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cn1	812242055	MDZXTUWNAFSRDL-YBEGLDIGSA-N	404.813	4.960	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c(C)c1	812439814	ZHZYGQQTOUOIIR-UHFFFAOYSA-N	408.483	4.502	50	20	HJGD	
CC(Cn1cccn1)=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	814697813	DLQGICULKXKWIA-UHFFFAOYSA-N	421.551	4.591	50	20	HJGD	
CCOc1cc(C(=O)NNc2ccc(C)cc2)ccc1OCCOc1ccccc1	912594642	ZSVFVQCUIIQPHB-UHFFFAOYSA-N	406.482	4.608	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cnc3ccccc3c2)c(-c2ccccc2)n1	914467703	PCSZLIUNMLWEAI-MOSHPQCFSA-N	418.460	4.558	50	20	HJGD	
CCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	914504565	JXDYICIZQCEFED-AKKXDVJXSA-N	405.542	4.548	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Cl)cc1	915856919	CSLQPFFSKCAEEM-YBEGLDIGSA-N	421.844	4.596	50	20	HJGD	
CC(C)CC[C@H](C)NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	915885741	IXBCVIZRMSKZKT-KRWDZBQOSA-N	404.514	4.671	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3ccccn3)s2)cc1Cl	916540252	RNZSRYGSMRZWEQ-UHFFFAOYSA-N	406.298	4.661	50	20	HJGD	
Cc1csc(SCc2c(C(=O)NNC(=O)OC(C)(C)C)oc3ccccc23)n1	916828487	WGHNHOCGMKNPNX-UHFFFAOYSA-N	419.528	4.660	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C#N)C(=O)Nc2ccccc2F)cs1	917562257	XTABBYWJBMYIRK-WJDWOHSUSA-N	420.469	4.821	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccncc34)CCC2)cc1	1790490245	YZCBYDGICIZCTG-OAQYLSRUSA-N	421.928	5.000	50	20	HJGD	
O=C(CCc1ccc(F)cc1)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791605697	COVULQQMNBPDQW-UHFFFAOYSA-N	423.315	4.696	50	20	HJGD	
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NNC(=O)c1cccs1	8357450	CHQDOJKAEZZELZ-LJQANCHMSA-N	416.955	4.685	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc(-c3cccs3)no2)c(C)n1CCC(C)C	208466512	WVOXQXYXDRAKBH-WQRHYEAKSA-N	424.526	4.913	50	20	HJGD	
C=C(C)COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	727330613	OCOKFZPCRIUJRX-NYIUWGNGSA-N	419.525	4.785	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(SC(F)(F)F)cc1	727792930	YGDVOVHZZURHSL-UHFFFAOYSA-N	409.216	4.680	50	20	HJGD	
O=C(NCCc1cccc(O)c1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	729612102	VDIASBJJMIQTOG-HNNXBMFYSA-N	404.841	4.976	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1	732442418	OBJMBVVIMAXPAC-FGZHOGPDSA-N	421.928	4.954	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C1c2ccccc2Oc2ccccc21	733001369	LSRINLASJOLWJO-UHFFFAOYSA-N	418.840	4.771	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(CSc2ccccn2)c1	733892868	NKCVFQVUSSXZDB-UHFFFAOYSA-N	400.935	4.678	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cnn(CC(F)(F)F)c2)c(C)n1C1CCCCC1	735638574	LLZNDQRRZKCXFI-MFOYZWKCSA-N	419.451	4.915	50	20	HJGD	
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	741870689	ZEDFMVQNKHRQGX-QPUJVOFHSA-N	409.770	4.726	50	20	HJGD	
CC(=O)c1ccc(CC(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1	742006535	QYQRPEHGQDIKMG-UHFFFAOYSA-N	416.102	4.644	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1NC(=O)OC(C)(C)C	742699825	LPCQPXZPICJIPS-UHFFFAOYSA-N	419.481	4.570	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c(Cl)c1	743505072	ANLQBPTUVRPDIR-LLVKDONJSA-N	414.815	4.764	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c3ccccn3)c2C)cc1	743655256	PAUVAPOXQCPDDZ-DDNKWHRWSA-N	414.509	4.624	50	20	HJGD	
Cc1sc2ncnc(SCC(=O)NNc3ccc(C(F)(F)F)cc3)c2c1C	747588806	TYSYGKLOCXADMP-UHFFFAOYSA-N	412.462	4.562	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	748730379	MWEJEADNGMWPHW-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
CO[C@@H](C)c1nc(CNC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cs1	753057112	ORUGATIBXLWHNX-ZETCQYMHSA-N	409.726	4.637	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)c(Br)c1	753656690	QAYNFBQSHXRCJT-UHFFFAOYSA-N	423.616	4.801	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1	759328456	JJOLQPRTNDUQRH-UHFFFAOYSA-N	422.485	4.760	50	20	HJGD	
Cc1sc(Br)nc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	763898744	JJVMMTMPZKKNLQ-UHFFFAOYSA-N	415.527	4.931	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2	768592083	UPTIKIBJKZOIEP-GEBKJHSDSA-N	417.509	4.778	50	20	HJGD	
CSc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	770195425	YNWOHNCWAYBUNW-QDDTUJKSSA-N	409.555	4.860	50	20	HJGD	
CS(=O)(=O)c1ccc(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)cc1	770514234	MKMKICWFNUZUJM-OAHLLOKOSA-N	409.882	4.922	50	20	HJGD	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NNc2cnc3ccccc3n2)c1	774792562	ZKVLSUXBZQXSPD-UHFFFAOYSA-N	415.840	4.704	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1	775473364	SCMBWCXKYWLYJZ-UHFFFAOYSA-N	405.241	4.987	50	20	HJGD	
O=P(CCN[C@@H](C[C@H]1CCOC1)c1ccccc1)(c1ccccc1)c1ccccc1	775534581	BYIIOOLETBJMFK-GJZUVCINSA-N	419.505	4.758	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H](c1cccc2ccccc12)C(F)(F)F	776008030	HDUIIFGBUNOLKD-KRWDZBQOSA-N	421.806	4.741	50	20	HJGD	
C[C@H](C(=O)NNc1ccc2ccccc2n1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	777462270	JPPQPKCGEXRACR-KKSFZXQISA-N	420.513	4.580	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@H](N2CCCCC2)C1	777939152	LVQNWSDXIGKOCW-CYBMUJFWSA-N	420.469	4.593	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NS(=O)(=O)CCCCCl	780772635	DQNBZRVBSWVKAP-GFCCVEGCSA-N	407.388	4.771	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)c1C	784197805	DKVDHKUBEAETLV-UUYOSTAYSA-N	418.541	4.509	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(-c2ccccc2C(F)(F)F)o1	789757961	DXVCQRWQGWHDJM-UHFFFAOYSA-N	414.343	4.772	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1C	790271239	ISAASBTVKOLHFB-CJLVFECKSA-N	420.557	4.533	50	20	HJGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)c1ccc(NC(=O)NC2CC2)cc1	811474039	CMAWEEBKJOWDNH-MRXNPFEDSA-N	401.938	4.829	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc(-c2ccccc2C(F)(F)F)on1	812495865	QZIPQZNBFRCNLP-UHFFFAOYSA-N	401.266	4.535	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C	813032984	YWTHABBREJSNMH-HXUWFJFHSA-N	411.937	4.921	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccccn2)n1)c1ccc(-c2ccc(F)cc2)s1	915953788	CAOOVAVXIPIKRQ-UHFFFAOYSA-N	408.483	4.837	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1C	916078965	HUTWPMXNMZTAAH-DLBLZJNESA-N	423.532	4.845	50	20	HJGD	
O=C(NN=Cc1ccccn1)c1ccc(CSc2nc3ccccc3s2)cc1	916287215	BGNFVZTYICQUHN-UHFFFAOYSA-N	404.520	4.748	50	20	HJGD	
CCOc1ccc(-c2nc(COC(=O)/C(C#N)=C/c3cccc(OC)c3)cs2)cc1	916601806	WDQYVTSVEOUENR-WOJGMQOQSA-N	420.490	4.868	50	20	HJGD	
Cc1ccc2c(C=NNC(=O)c3cc(-c4ccncc4)nc4ccccc34)c[nH]c2c1	917532147	LXTAXABWPJMUJQ-UHFFFAOYSA-N	405.461	4.850	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1	920805018	DVIHCHQFQGOLTR-UHFFFAOYSA-N	414.484	4.981	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(COc3cc(C)cc(C)c3)o2)c1C	1323869403	ZJAJGQVQUVGIHZ-DUQUIBLKSA-N	420.513	4.955	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1	1824619173	SLZKKKFILPBWIE-WLRLJWMZSA-N	411.030	4.840	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1	1832386277	QDMGXPPQXKPWKF-RKRRMPDFSA-N	423.041	4.842	50	20	HJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC	72067727	YOPXKYGUPSWZSC-JYRVWZFOSA-N	421.280	4.955	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1O	208123450	BAAPARFLCMGCCT-OVCLIPMQSA-N	424.305	4.774	50	20	HJGD	
CCCCC[C@@H](NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1)c1ccccc1	728133845	JDIZSTOYKISZFL-HXUWFJFHSA-N	419.529	4.651	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1	729615912	HJLKKZUKSGQWHO-QFIPXVFZSA-N	424.932	4.626	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCCc1nc(-c2ccc(Cl)cc2)no1	731645514	RPUZOLLGMAOPMH-HNNXBMFYSA-N	411.980	4.763	50	20	HJGD	
N#C/C(=C/c1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)Nc1ccc(F)cc1	732713438	DEUJZGDBMCZXPB-LCYFTJDESA-N	411.234	4.524	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1	732716774	YTLGIBJYVRRWBW-HMMYKYKNSA-N	405.461	4.504	50	20	HJGD	
O=C(NNC(=O)c1ccc(-c2ccccc2Cl)o1)Nc1ccc(OC(F)F)cc1	743832434	SFBJAZHDFCJUKB-UHFFFAOYSA-N	421.787	4.668	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)cc1	746886004	GWEDKMODADXEKX-UHFFFAOYSA-N	404.253	4.946	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](c2ccccn2)C(F)(F)F)c(C)n1CC(C)C	747354974	WUDNYPUBYPRFLZ-DDYRAIOVSA-N	405.420	4.910	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3ccc(OCC(F)(F)F)cc3)cs2)cc1	748695626	OESYMIUUGVTHRP-UHFFFAOYSA-N	423.416	4.517	50	20	HJGD	
CCC1(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CCC1	752498289	PVNZLPAARPHCSJ-QGOAFFKASA-N	421.932	4.721	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H]1CN1CCOCC1	752972660	KXTULSFERBQAJC-CQSZACIVSA-N	415.428	4.673	50	20	HJGD	
CC[C@H]1C(=O)N(CC)CCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752975640	BPNWSFRSUDZQFL-ZDUSSCGKSA-N	401.401	4.819	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3cccnc3Cl)c2)cc1	754485114	JCAKIHGXPYMXLN-UHFFFAOYSA-N	423.900	4.593	50	20	HJGD	
O=C(NN=Cc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1Cl	755700830	LFGHWBJWOSZPBH-UHFFFAOYSA-N	420.719	4.990	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(Br)c(F)cc2F)ccc1Br	760464206	YAGHSJHNPQOISN-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccc(Cl)s2)on1	761584665	JFDCMCHXJDVLRV-UHFFFAOYSA-N	403.769	4.712	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cnc3ccccc32)cc1	761592011	ZXCCLEIORPRRRC-UHFFFAOYSA-N	412.371	4.681	50	20	HJGD	
C[C@@H]1SCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@H]1C	762658557	MXWJYUYRIJUHKC-UWVGGRQHSA-N	404.426	4.635	50	20	HJGD	
CCn1nc(C)c(C(=O)/C=C\c2ccc(OCCBr)c(Cl)c2)c1C	763114025	LVVCZEQKJANLGA-ALCCZGGFSA-N	411.727	4.843	50	20	HJGD	
COc1cc(CN(C(=O)[C@H](Br)C(C)(C)C)C2CC2)ccc1OC(F)F	766998934	LNPHQBPCAGSSDV-HNNXBMFYSA-N	420.294	4.597	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	767943962	SCGJAVAFQFJVGH-UHFFFAOYSA-N	419.384	4.920	50	20	HJGD	
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](Br)C(C)(C)C)n2)cc1	768034177	OPSAFSCLPHYTJK-CQSZACIVSA-N	410.337	4.517	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(C(C)C)cc2)c1C	768745459	AIZNXEXQSBZXNM-NVIPHDJISA-N	422.525	4.769	50	20	HJGD	
Cc1cc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1C(=O)N(C)C	770038345	JHZOVCSDQRWXJX-UHFFFAOYSA-N	415.708	4.806	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	771689467	RQBIZYSUHMYPLB-SFHVURJKSA-N	401.482	4.623	50	20	HJGD	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)NNc1cccc(Cl)c1	773744693	QQIRGPRRDKYOQD-INIZCTEOSA-N	423.900	4.870	50	20	HJGD	
Cc1nc(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)sc1C	777996297	GNUFGILJRCXZIE-UHFFFAOYSA-N	422.466	4.938	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](CO)c2cccc(F)c2)c(C)n1C1CCCCC1	778512413	UNGOGBLFNZSIJD-MTCPJELPSA-N	409.505	4.506	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	780802466	VQTWXMYWCRNKHG-UHFFFAOYSA-N	421.840	4.547	50	20	HJGD	
O=S(=O)(Nc1cccc2c1OCO2)c1ccc(S(F)(F)(F)(F)F)cc1	782915524	IRCVBRNRICBNIR-UHFFFAOYSA-N	403.350	4.874	50	20	HJGD	
CCN(Cc1ccccn1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982870	GDXZSDQPPJVFAP-UHFFFAOYSA-N	402.410	4.950	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3ccsc3Cl)cc12	790143099	WMHMFZDMJLBODO-UHFFFAOYSA-N	400.916	4.874	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)c2cnc3ccccc3n2)cc1OC	790229052	WKXJTAPWXVKREP-RIYZIHGNSA-N	410.271	4.864	50	20	HJGD	
CCc1c(C(=O)NNc2ccccc2C(F)(F)F)cnn1-c1ccccc1Cl	790255201	KMEFNEJRBWAXGN-UHFFFAOYSA-N	408.811	4.864	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC3(CCOCC3)CC2)c(C)n1C1CCCCC1	793485113	GXNUITNQYZNOCH-XLNRJJMWSA-N	409.574	4.936	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)c1ccc2ncccc2c1	794884155	GYNDNBVFAWZPMV-MOSHPQCFSA-N	412.449	4.923	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1	798838665	RXJDRYQSYBNFLS-VIFPVBQESA-N	405.203	4.577	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1	805379693	MHAXBQQMHHPWNC-UHFFFAOYSA-N	405.332	4.939	50	20	HJGD	
Cc1coc(C)c1C(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1	806380030	HNBWEUKIPLKRQW-UHFFFAOYSA-N	412.511	4.610	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)[C@@H]1OCCc2sccc21	813871112	IKZZAVPRZGSPTA-GLEZIHRCSA-N	404.294	4.523	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1	904220553	BUNYIOAEURWCNH-ATVHPVEESA-N	404.388	4.549	50	20	HJGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc21	914463966	NUXRGAODSRSYQU-HBEGMLAUSA-N	421.504	4.517	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2Br)c1C	914475743	OHJHNFZZTFCRKC-WQRHYEAKSA-N	400.320	4.501	50	20	HJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1	915854355	GPZGQNFFDVOIGX-CYVLTUHYSA-N	411.461	4.771	50	20	HJGD	
COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(OC)c1	916138089	LSVWMUGGSCTSAP-WQLSENKSSA-N	420.437	4.573	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2ccccc2C(F)(F)F)cc(OCC)c1OCC	916288911	KDOUFNDXDVREJZ-UHFFFAOYSA-N	424.419	4.665	50	20	HJGD	
COCCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(C)c1	917744415	YDVIUMYGLZAALZ-FYJGNVAPSA-N	409.530	4.640	50	20	HJGD	
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)CCCC[C@@H]1CCSS1	918593562	YKKMGLMIDANWBI-CQSZACIVSA-N	420.522	4.940	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2OCc2ccccc2)cc(C#N)n1C	918686097	SVAOPVFNQLGIMT-MNOULKQQSA-N	424.504	4.569	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1	919745731	GNPPYVFFMGHDCZ-MRXNPFEDSA-N	405.458	4.537	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(-c3noc(C)n3)cc2)c1C	921241821	GWDQGGVBTVJDSK-MOSHPQCFSA-N	404.470	4.776	50	20	HJGD	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1ccc(C(C)(C)C)nn1	1252623021	QSPOSXDHDWOIRC-GFCCVEGCSA-N	415.950	4.600	50	20	HJGD	
CCc1ccc(-c2nnc(/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)o2)cc1	1326104750	UICYVVPURBXDRS-YRUATGHUSA-N	402.498	4.961	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(Br)cn2)c1C	1343992404	BLLFMEBFLTYSAM-YVLHZVERSA-N	416.319	4.713	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3sc(C)nc3C)cc2)CCC1	1787333007	HRPIHBRGDWKMCD-QGZVFWFLSA-N	419.978	4.915	50	20	HJGD	
O=C(Cc1ccc(Cl)s1)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788582206	FUWDUXZSDWPUNI-INIZCTEOSA-N	415.317	4.613	50	20	HJGD	
Cc1c(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)ccc(F)c1F	1788588359	NTYOCMNXODVNOH-QGZVFWFLSA-N	410.823	4.555	50	20	HJGD	
Cc1ccc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)[C@H](F)Cl)CCC4)cc3)cc2c1	1788964997	AIUUIXTXFIPCCL-IBGZPJMESA-N	413.880	4.758	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1	1828346711	XLAHTVWTJURGGU-PCCBWWKXSA-N	409.014	4.760	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1	1828346712	XLAHTVWTJURGGU-QHAWAJNXSA-N	409.014	4.760	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2)CC1	1830309195	HDXNRSAUBVCVEZ-OALUTQOASA-N	411.373	4.591	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2nc(-c3ccc(C(C)C)cc3)no2)cc1	7896517	GSEYNNAYDLORPA-XDHOZWIPSA-N	403.438	4.519	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1C	16999841	FQXLDFUULQMPCH-ISXGRJCASA-N	421.541	4.999	50	20	HJGD	
Cc1ccc(N2C(=O)CC[C@H](C(=O)NNc3ccccc3)[C@@H]2c2cccs2)cc1	195605188	OGTMZSLTJZQHSK-SIKLNZKXSA-N	405.523	4.684	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3cc(F)c(F)c(F)c3)cc12	727970251	VTMWAUPYAUCPPX-UHFFFAOYSA-N	414.412	4.577	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NNc3ccc(F)cc3F)c12	729280895	VKEHPPQZOAIWNN-UHFFFAOYSA-N	401.461	4.653	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)c(Cl)c2)cc1OC	731488490	HUWVFSPPAYQEMD-KPKJPENVSA-N	408.788	4.504	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1)c1ccccc1	732447571	GGSXABVRCVQMEB-XXBNENTESA-N	415.537	4.731	50	20	HJGD	
CCC(CC)[C@H](NC(=O)NNC(=O)NCc1ccc(Cl)cc1)c1cccs1	733039783	RNTFEJFHAXVEDT-KRWDZBQOSA-N	408.955	4.592	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2cc(F)c(F)cc2F)c(C)n1CCC(C)C	734552950	ZJFGGQNUDISEPR-LZYBPNLTSA-N	404.436	4.619	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc2c(nc1O)CCCCC2	737465522	WNACWHPUGCLPCB-UHFFFAOYSA-N	400.693	4.773	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cs1	741474254	WNXAXOCYNCJAMN-ZROIWOOFSA-N	418.457	4.611	50	20	HJGD	
C[C@H]1CN(C)c2ccccc2N(CCP(=O)(c2ccccc2)c2ccccc2)C1	741799645	DGMYLGSANCZYJJ-NRFANRHFSA-N	404.494	4.593	50	20	HJGD	
CC[C@H](C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	743960148	AEJAGXAYPCNFMS-MMPTUQATSA-N	410.889	4.785	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2cc(Cl)ccc2OC(F)F)cc1	744778018	HXCSTKUTPLIMII-NTEUORMPSA-N	406.816	4.563	50	20	HJGD	
CCCN(CC)Cc1ccc(C(=O)NNc2ccc(Br)cc2C)cc1	748729807	BJGLQHXPSGQRTN-UHFFFAOYSA-N	404.352	4.746	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C(=O)NNc3cccc4cnccc34)c2Cl)cc1	748770222	YXZBFEGYKYQTBZ-UHFFFAOYSA-N	405.889	4.507	50	20	HJGD	
Cc1ccc(C2(C(=O)NNc3ccc(Br)cc3Cl)CCOCC2)cc1	748775940	JYCYSGMWVIYQQZ-UHFFFAOYSA-N	423.738	4.602	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)c1C	749536782	XHBGLSCKBZHMLR-LJQANCHMSA-N	409.921	4.692	50	20	HJGD	
Cc1c(Br)cc(C(=O)NNc2c(Cl)cccc2Cl)cc1[N+](=O)[O-]	753655494	IYQSXKNQFLUSSE-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)NNC(=O)CC(F)(F)F)c(C(F)(F)F)c1	756279378	ASXHXDKTVKHLJL-MRVPVSSYSA-N	417.375	4.701	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1	760141871	YSVWHOXMWHPYCK-UHFFFAOYSA-N	421.398	4.614	50	20	HJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1	761394563	VZDWPZWXTHYIHL-SDNWHVSQSA-N	420.271	4.515	50	20	HJGD	
C[C@@H](C(=O)NNc1cccc(Br)c1)c1cccc(C(=O)c2ccccc2)c1	761996720	OBQVBJOYSFUWPN-OAHLLOKOSA-N	423.310	4.927	50	20	HJGD	
O=C(NCCc1ccc(F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762642053	QJZOTWCVOVUWOA-UHFFFAOYSA-N	412.355	4.781	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccc(Cl)nc3)c3c(C)noc3n2)c(C)s1	769679108	HHTFPYWGVJEQIW-UHFFFAOYSA-N	413.890	4.682	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2	771707986	WXHYAYNEPFKROR-UHFFFAOYSA-N	409.486	4.694	50	20	HJGD	
O=C(NC[C@@H]1Cc2ccccc21)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772944483	BDIBDDLMJWFPHO-LBPRGKRZSA-N	406.376	4.739	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCc2ccsc2C1	773446387	YNTNHHHRZFFUGL-UHFFFAOYSA-N	412.405	4.929	50	20	HJGD	
O=S(=O)(NC[C@H](O)C1CCCCC1)c1cccc(S(F)(F)(F)(F)F)c1	777960399	GGOXQWHIFZQZQQ-AWEZNQCLSA-N	409.442	4.564	50	20	HJGD	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NN(C)c2ccccc2)cc1	783431608	IAIIJPJKYYREJA-KRWDZBQOSA-N	405.523	4.646	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cn(C)nc2C2CCCCC2)cc1	783792807	RSOOXCJCALPYGO-UHFFFAOYSA-N	403.530	4.639	50	20	HJGD	
CSc1ccc(COC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	786388748	BXGZQSDRVUCUNP-GUBQRQEFSA-N	410.539	4.656	50	20	HJGD	
CCc1ccnc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	798063780	ZRZLPOCKNGTOCX-UHFFFAOYSA-N	409.380	4.556	50	20	HJGD	
CCO/C=C(\C#N)C(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br	799068425	DGZRZJLYSJDXBM-DTQAZKPQSA-N	419.344	4.792	50	20	HJGD	
O=C(CC(F)(F)F)Nc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1	801882992	AGIHFSGBCKPWMR-UHFFFAOYSA-N	420.313	4.745	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(CSc2ccccc2)cc1	803432563	JODYMUFGFMDOKC-UHFFFAOYSA-N	401.491	4.577	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCc2cccc3ccccc23)c1C	915179105	NJWLARKEICYWNP-YPFLROGLSA-N	415.537	4.731	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1nc2ccccc2nc1Cl	915852132	KWMCWZNXINAEQH-XFXZXTDPSA-N	413.662	4.591	50	20	HJGD	
Cc1cc(OC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)ccc1[N+](=O)[O-]	917027465	ASDDOGUKLWXUJD-UHFFFAOYSA-N	408.458	4.808	50	20	HJGD	
C[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918434179	ONQPDXZRVUFPIH-CJBNDPTMSA-N	422.900	4.882	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3cnc(C)s3)c2C)cc1	918533199	AGDYLPXVSJJQID-VCHYOVAHSA-N	407.495	4.518	50	20	HJGD	
C[C@H]1CCCC[C@H]1CC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	920437359	SFINQWDUSROUCC-QWRGUYRKSA-N	407.889	4.893	50	20	HJGD	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NNc3ccc(C(C)(C)C)nn3)c12	1318585833	MCZCASHSIWTXHW-UHFFFAOYSA-N	422.533	4.533	50	20	HJGD	
Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)cc1C	1788582448	LPICMNBYKLQQNN-HXUWFJFHSA-N	402.897	4.514	50	20	HJGD	
CC[C@H](C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccccc1	1788582482	HEDAMAANYGBYBU-RBUKOAKNSA-N	402.897	4.849	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1	1830314323	DWNSJKBDMJNUGT-FSLIYXPKSA-N	409.014	4.594	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)CC1	1832889685	RSYLUXKYNXXNHP-BVYCBKJFSA-N	419.009	4.817	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(/C=C\C(=O)OCC)cc2)c1C	205774011	RAEXTXYGIKKIPU-QZYWLCDYSA-N	405.498	4.637	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3ccc(C)nc23)c1C	727330291	CCNJWFVSFDAECW-WCEBZYJUSA-N	402.498	4.715	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCc2cccc(OC3CCCC3)c2)cc1C	727864961	VETRJAXYFHKUOU-UHFFFAOYSA-N	411.571	4.575	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1	729404540	JUILVPMCGFXWGP-VKAVYKQESA-N	407.470	4.978	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(Cl)nc(Cl)c2)c1C	733378678	SFIQZENPRFOMNN-TVYFDWKESA-N	422.312	4.665	50	20	HJGD	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	733666760	BUXWAUHQUPKBJQ-XSLLRJJBSA-N	422.900	4.785	50	20	HJGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	733990709	IUEASHTUQKXEDO-FHNCKPAYSA-N	415.541	4.703	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNc2nc(-c3ccccn3)nc(C)c2C)cc1	734256755	KTXASHMMQJMIEL-UHFFFAOYSA-N	419.529	4.871	50	20	HJGD	
CN(C)c1ccc([C@H](CNC(=O)NNc2ccccc2)c2c[nH]c3ccccc23)cc1	734265772	QIGLQHWNNLWEAE-QFIPXVFZSA-N	413.525	4.692	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cccc(C(F)(F)F)n3)sc2C)cc1	740137623	ATJWNFJETLGYLX-UHFFFAOYSA-N	407.417	4.903	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(F)c(Cl)c1)Nc1ccc(Cl)cc1Cl	741503806	PZUJGEGNJGAXPK-UHFFFAOYSA-N	407.685	4.809	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)c1ccc(-c2nc3ccccc3s2)o1	741693324	CACZVJIAJICYGI-UHFFFAOYSA-N	413.458	4.784	50	20	HJGD	
CC(=O)Nc1nc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cs1	741896474	IJEUYSXWYULWLG-LBPRGKRZSA-N	409.842	4.573	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1	742846650	JAFMOTXDMWOSTN-YBEGLDIGSA-N	424.913	4.727	50	20	HJGD	
CCc1nc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)nn1-c1c(Cl)cccc1Cl	748609654	UIDVNYKWFNIJFM-UHFFFAOYSA-N	421.240	4.572	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1	748672306	CNEDDHQAOPKUDD-MRXNPFEDSA-N	411.502	4.515	50	20	HJGD	
Cc1nnc(SCc2c(C(=O)NNc3cccc(C#N)c3)oc3ccccc23)s1	749260314	QONQNEYWNHDGQU-UHFFFAOYSA-N	421.507	4.514	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2	754479779	FSJCWCRHFWQIKK-UHFFFAOYSA-N	416.312	4.600	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cnc(Cc2ccccc2)s1	755346628	DLKPGDSMJUDWPZ-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3cc(F)c(F)cc3F)cc2)cc1	760567665	PKOCOEQVHXREQZ-UHFFFAOYSA-N	400.356	4.856	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2c(Cl)cccc2Cl)nn1-c1cccc(F)c1	763624429	NRPDEFVKHLOMFR-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2OC(C)(C)C)c1C	766574238	UUDPCNLXACMZSX-PDGQHHTCSA-N	413.493	4.613	50	20	HJGD	
C[C@@H](Oc1cccc(Br)c1)C(=O)NN=CC1CCC(C(F)(F)F)CC1	767366535	FSAUISPKWMYRFQ-PNESKVBLSA-N	421.257	4.687	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cncc(-c2ccc3c(c2)CCO3)c1	767407254	MRWSNSDLQKYKPE-UHFFFAOYSA-N	418.255	4.886	50	20	HJGD	
Cc1ccc(Cc2nc(C(=O)NNC(=S)Nc3ccccc3C(C)C)cs2)cc1	768384073	CAADFNKWSNZCQT-UHFFFAOYSA-N	424.595	4.797	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)cc1Br)c1cc(-c2ccccc2)on1	769795843	BGOGEHMQAZNACY-UHFFFAOYSA-N	404.651	4.521	50	20	HJGD	
CCOC(=O)NNC(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C	770040666	QMYVGLPFWOLUQF-UHFFFAOYSA-N	413.453	4.514	50	20	HJGD	
C[C@@H](Cc1cccc(O)c1)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772952836	GSPOXYXDWRGIAJ-NSHDSACASA-N	424.391	4.736	50	20	HJGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NNc1ccc2ccccc2n1	773662452	VMQAMZMQMABVBM-UHFFFAOYSA-N	408.527	4.516	50	20	HJGD	
CCCOc1ccc(NC(=O)C(=O)NNc2c(Cl)cccc2Cl)cc1Cl	773691069	DGAJJTBNKZCQDT-UHFFFAOYSA-N	416.692	4.517	50	20	HJGD	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccccc1Br	775544205	BWABAVXUEIUVNY-UHFFFAOYSA-N	410.293	4.615	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1cccc(NC(=O)c2ccoc2)c1	775581869	KMLUEEBYBNUJKL-UHFFFAOYSA-N	404.348	4.699	50	20	HJGD	
COc1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1O	777648345	OVTRMTGEAVVGFR-UHFFFAOYSA-N	405.366	4.859	50	20	HJGD	
O=C(CCCCC(=O)c1ccc(F)cc1)NNc1ccc(F)cc1Br	779007941	ALFVEGMOTZDYPX-UHFFFAOYSA-N	411.246	4.614	50	20	HJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)C(=O)NCc3cccc(C)c3)cs2)cc1	786049753	JTIVFJYGYQBGNN-ODLFYWEKSA-N	403.507	4.562	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc(F)cc2Cl)c(C)n1C[C@@H]1CCCO1	786310280	LHPAJSVDXNQOGI-FUJWGRRUSA-N	416.880	4.727	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCCc3ccccc32)c1C	790158992	ZTRTZJMEBMLDJT-PUDWNGSMSA-N	405.542	4.755	50	20	HJGD	
COc1cc(NNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)ccc1Cl	790174671	KARSMLBSIDSIQO-UHFFFAOYSA-N	401.894	4.624	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)C1CCOCC1	794953965	PYJKOPXTUPCWKU-XMHGGMMESA-N	401.441	4.581	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(NC(=O)N(C)C)ccc2C)c1C	798084302	YTGKCFQJOIFHQM-MOSHPQCFSA-N	421.545	4.853	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc2nc(-c3ccccc3)oc2c1	798123750	SMBYDXFRDJWKRE-UHFFFAOYSA-N	422.897	4.780	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C/C(C)=C/c2ccccc2C(F)(F)F)o1	799878175	QQTDGVKTAKJYKH-XSJDRKHWSA-N	407.436	4.959	50	20	HJGD	
Cc1cccc(C(=O)NNc2c(Br)cccc2Br)c1Cl	801503947	PNIUIBFDEDMIDT-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)ccc1Cl	812969903	KLZMXSREBVROOK-UHFFFAOYSA-N	411.893	4.697	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)C(F)(F)F)c1C	916389735	ORFWKERNRYPXDG-INKHXICTSA-N	419.447	4.639	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(-n2cnc3ccccc32)cc1	921148094	TXMIXXYJSWLQRQ-UHFFFAOYSA-N	413.868	4.984	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCCOC(c2ccccc2)c2ccccc2)c1	922876999	AFDGJZUPSWWIKN-HAVVHWLPSA-N	413.473	4.952	50	20	HJGD	
C=C(C(=O)NC1(c2ccc(NC(=O)[C@H](Cl)CCC)cc2)CCC1)C(F)(F)F	1786446934	SCVYRXMJXLZBLT-OAHLLOKOSA-N	402.844	4.647	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3cccs3)CCC2)cc1	1790487659	IVLFBJFOXOVISY-SFHVURJKSA-N	404.963	4.832	50	20	HJGD	
C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)c1	1792123851	RIZZLTGUKRXTIG-IFXJQAMLSA-N	413.880	4.596	50	20	HJGD	
C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](Cl)CCC)[nH]n1	1814824511	WGURODBOBOILKS-AEFFLSMTSA-N	406.958	4.578	50	20	HJGD	
O=C(C(Cl)Cl)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1	1832555714	FGHSKDYRLCBDQQ-IBGZPJMESA-N	423.384	4.601	50	20	HJGD	
O=C(NNC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl	15152187	MXYCFLYQRKVJJJ-UHFFFAOYSA-N	409.125	4.932	50	20	HJGD	
O=C(NNC(=O)c1cccs1)c1ccc(CSc2ccc(Cl)cc2)cc1	15908677	QHNHIUHIGJUOOB-UHFFFAOYSA-N	402.928	4.769	50	20	HJGD	
COc1ccc(CN2CCC(CNC(=O)CCCC[C@H]3CCSS3)CC2)cc1	109373144	IWNIXOSYKAEWBM-NRFANRHFSA-N	422.660	4.738	50	20	HJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c(C)c2C(=O)OCC)cc1Cl	727263714	GKERPLHDCXGZTJ-YBEGLDIGSA-N	412.873	4.816	50	20	HJGD	
CSCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	727343355	ARJNLFIADPUZKE-PZDOZLBDSA-N	409.555	4.693	50	20	HJGD	
CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NNC(=O)c1c(Cl)cccc1Cl	729831026	OUBCWBDNYKRYJU-YLGBQOPLSA-N	407.297	4.645	50	20	HJGD	
CCCN(C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@H](C)c1cc2ccccc2o1	731221479	BHZRLBZPETWNHR-QGZVFWFLSA-N	407.514	4.924	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cc(C(F)(F)F)ccc1F	733202265	ZBVYMWOOCWYQCU-CYBMUJFWSA-N	404.363	4.915	50	20	HJGD	
N#Cc1ccccc1OCc1cccc(C(=O)NNc2nccc3sccc23)c1	734249219	OJGDNCQJBGAWKA-UHFFFAOYSA-N	400.463	4.504	50	20	HJGD	
O=C(Cc1csc(-c2ccoc2)n1)NNc1ccc(Br)cc1Cl	738528645	HGCFXBBIQRWJFP-UHFFFAOYSA-N	412.696	4.505	50	20	HJGD	
CC(C)(C)c1ccc(Oc2ccc(C(=O)NNc3cnnc4ccccc34)cn2)cc1	741285579	UUVZHCIBVGWYOG-UHFFFAOYSA-N	413.481	4.872	50	20	HJGD	
Cc1cccc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)n1	741286497	VKKVUQDORQMMEI-MOSHPQCFSA-N	402.473	4.502	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Oc2cccc(NC(=O)OC(C)(C)C)c2)cc1	744247879	ZHXXDJKRFTVTRY-GHRIWEEISA-N	408.454	4.945	50	20	HJGD	
COc1cc(C(=O)NN=C(C)c2ccc(-c3ccncc3)cc2)ccc1OC(C)C	745198786	RCUHRAZGBIYNMR-UHFFFAOYSA-N	403.482	4.698	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNc3ccccc3F)cc12	748049033	KIJCGCJNVVTMBK-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccccc1Br)c1cccs1	748058674	VDVRRPSLJAFXIZ-UHFFFAOYSA-N	416.300	4.520	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccccc2Br)cc1NC(=O)c1ccccc1	748066684	WAPBZAZWFJIZPW-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(COc2ccc(F)cc2)o1	748732421	VAHBNKGPMHMRHS-UHFFFAOYSA-N	419.250	4.826	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CCCC2)c(C)n1C[C@@H]1CCCO1	749138365	RJOZVSRCJQDCNH-OLROSQPISA-N	423.479	4.524	50	20	HJGD	
COCCOC[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752975042	SBCGWLMDGAYHRE-LBPRGKRZSA-N	404.401	4.861	50	20	HJGD	
O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)NN(Cc1ccccc1)c1ccccc1	758705183	CJIBGPSMYYQILM-UPVQGACJSA-N	419.500	4.967	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)c(Br)c1O	761013210	QGBGJUDAQFTZAP-XYOKQWHBSA-N	424.197	4.555	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1	764485459	QESQAXSJEGRNSG-UHFFFAOYSA-N	411.405	4.804	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=CC2CCC(C(F)(F)F)CC2)c1	767376741	DPTTZSCJXIXNCR-UHFFFAOYSA-N	407.230	4.542	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ncoc1-c1cccc(C(F)(F)F)c1	775257836	ROGMMSVBAMSYSI-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc3ccccc3n2)c2ccc(Br)cc2n1	777462335	NZCYOKOMNLLIKQ-UHFFFAOYSA-N	407.271	4.611	50	20	HJGD	
Cn1nc(C(F)(F)F)c(COC(=O)CCCC[C@@H]2CCSS2)c1Cl	782298274	RROHCPQSZQIFQG-SECBINFHSA-N	402.891	4.850	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1	792876932	FSMINOSELLUSMQ-LEWJYISDSA-N	403.639	4.778	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc2nc(-c3ccccc3)oc2c1	795164243	ASICZOCWKIBIAF-UHFFFAOYSA-N	407.433	4.709	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(C(F)(F)F)s1	796654062	AIJFBVAXYFLIGQ-UHFFFAOYSA-N	401.154	4.565	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1	797769510	GLXQGVCZGDHSSV-XZGNNNQISA-N	415.262	4.564	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1	808030118	UGKLSOHNNUHFND-OAHLLOKOSA-N	408.429	4.509	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C2OCCO2)c1	817015244	TUUMVOPXZBTHCS-UHFFFAOYSA-N	420.309	4.527	50	20	HJGD	
CCc1c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cnn1C(C)(C)C	817015360	YSHBJYNLPDQAHE-UHFFFAOYSA-N	422.373	4.995	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H](c3ccccc3)C2)c1C	817109004	ZLJQFNVNOZEYEZ-ADILIXOZSA-N	405.542	4.626	50	20	HJGD	
CCc1ccc(-c2nc(COC(=O)/C(C#N)=C/c3cc(C#N)n(C)c3C)cs2)cc1	913286681	FHDJPKSMVFJGRV-DJKKODMXSA-N	416.506	4.541	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1C	914500762	YZOCZJJFEZGPQD-LBFOSSIKSA-N	415.484	4.717	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc(C(C)=NNC(=O)c2cc(C)nc3ccccc23)cc1	914772275	VDQXOXZJJYNCIB-UHFFFAOYSA-N	417.513	4.571	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2cccnc2)cc1	915939471	RQIRBZAOWHGNOZ-UHFFFAOYSA-N	424.504	4.832	50	20	HJGD	
Cc1cc(C=NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(C)n1C1CC1	916304625	HVUSXVQBKTULPO-UHFFFAOYSA-N	412.493	4.508	50	20	HJGD	
COc1ccc([C@H](NCCP(=O)(c2ccccc2)c2ccccc2)C2CC2)cc1	917076244	KLASGKRSVWVQNA-RUZDIDTESA-N	405.478	4.750	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1C	917741252	MDAOMSWWOXNKEP-QNGOZBTKSA-N	418.541	4.733	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)c1ccc(Br)s1	921256894	DEUDHQDHHHVEFA-UHFFFAOYSA-N	408.104	4.590	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1cc2sc(Nc3ccccc3)nc2s1	1327887711	PBSSWHDUONENHL-UHFFFAOYSA-N	401.904	4.907	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccn3)CCC2)cc1	1786444190	DXMFUXOMRFWMID-QGZVFWFLSA-N	420.340	4.890	50	20	HJGD	
CSc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)cc1	1788588004	UQHDINNRQYPYNX-LJQANCHMSA-N	420.937	4.620	50	20	HJGD	
Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)[C@H](F)Cl)CCC4)cc3)c2[nH]1	1789018710	INGUVDBAZQXKHI-IBGZPJMESA-N	413.880	4.758	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1824011725	ZJBUEBUISMYINK-NRFANRHFSA-N	419.009	4.504	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(C)c2)CC1	1824614140	GQLKZOUDKDGNQN-VXKWHMMOSA-N	419.009	4.565	50	20	HJGD	
Cc1cccc(C)c1NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	5875397	MBQNZCOTPHBFKE-LPYMAVHISA-N	421.541	4.857	50	20	HJGD	
O=C(C[C@H]1C=CCC1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	21875994	XBGMLGKUUVPKLP-HNNXBMFYSA-N	400.931	4.750	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c2)cc1	23723752	QABSSNFPFJZNHG-HESIGYJKSA-N	417.509	4.549	50	20	HJGD	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1nc2ccccc2[nH]1	51105090	CYFOQAYXQVBMFV-YHYXMXQVSA-N	419.076	4.858	50	20	HJGD	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1	59336622	NWQUFQMJRGBFPJ-YRNVUSSQSA-N	407.253	4.565	50	20	HJGD	
O=S(=O)(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(CCCl)cc1	391813276	KSJNQPURLUHLNT-MRXNPFEDSA-N	402.368	4.637	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](OC1CCCC1)c1ccccc1	726980047	OQIOCUSXGLKMOI-SFHVURJKSA-N	423.391	4.757	50	20	HJGD	
CSCCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	727670379	UTRHPWVIERGXCE-LJJBLSSYSA-N	423.582	4.735	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2c(c1)C[C@H](C)O2	727744426	HEENUPRZWXCWLJ-QNKXHIPISA-N	402.372	4.583	50	20	HJGD	
CCN(CC)c1nc2sc(C(=O)NNc3cccc(C(F)(F)F)c3)cc2s1	727758703	CIFWBMBCNNZHOQ-UHFFFAOYSA-N	414.478	4.980	50	20	HJGD	
CCCCC[C@H](NC(=O)NNC(=O)c1cc(C)nc2ccccc12)c1ccccc1	728137466	VEOXTTNNBKPEBH-NRFANRHFSA-N	404.514	4.809	50	20	HJGD	
O=S(=O)(Nc1ccc(OCc2ccncc2)cc1)c1ccc(CCCCl)cc1	729666646	XYDRGJCRBZITPU-UHFFFAOYSA-N	416.930	4.633	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	730589197	KMUQMBURBSFTCS-KGENOOAVSA-N	415.420	4.981	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1	732442412	OBJMBVVIMAXPAC-FCHUYYIVSA-N	421.928	4.954	50	20	HJGD	
CCc1cc(NNC(=O)c2oc3c(C)ccc(C)c3c2C)nc(-c2ccccn2)n1	734357288	XYWPRPIRMNKKBC-UHFFFAOYSA-N	401.470	4.529	50	20	HJGD	
O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)C1CC=CC1	741044699	SOWJOXWUYPPBHJ-UHFFFAOYSA-N	416.399	4.582	50	20	HJGD	
CC(C)=CCSc1ccccc1C(=O)NNC(=O)Cc1cccc2ccccc12	741175140	MYUJETMGCNTUQW-UHFFFAOYSA-N	404.535	4.902	50	20	HJGD	
COc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl	741468352	HYDLFGGWJJGJCX-WUXMJOGZSA-N	402.686	4.994	50	20	HJGD	
O=C(NNC(=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)NC1CCCC1	741678282	OTWUUIPBYXVDGK-UHFFFAOYSA-N	410.276	4.686	50	20	HJGD	
CCc1nc(C)c([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)s1	741950924	PEZFJERYAUHADE-ZIZIWVQKSA-N	415.559	4.851	50	20	HJGD	
Cc1cc(C)c(NNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c(C)c1	743765700	ZCIGYCYSQKASNJ-UHFFFAOYSA-N	401.514	4.501	50	20	HJGD	
CCOc1cccc([C@@H](C)NC(=O)NNc2c(F)cc(F)cc2Br)c1	745785154	OYTZRPZNSYUYOX-SNVBAGLBSA-N	414.250	4.513	50	20	HJGD	
CC(C)C[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1	745841385	YOJGXUZUCBSHHP-HXUWFJFHSA-N	410.905	4.620	50	20	HJGD	
C[C@@H](Oc1cccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1)C(=O)O	746684277	MSHKAPZUJMWXKQ-UHPUNMKFSA-N	401.447	4.598	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	746750985	FCCZJOKVNRYDMV-JIGDXULJSA-N	423.279	4.640	50	20	HJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NNc1ccc(Cl)cc1Cl	747436729	JPLKRKABEMVKRM-UHFFFAOYSA-N	424.328	4.699	50	20	HJGD	
O=C(/C=C/c1ccccc1OC(F)(F)F)NNc1ccc(OC(F)(F)F)cc1	748498190	RYVRDEZPLXLAOA-BJMVGYQFSA-N	406.282	4.640	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc(-c2cccnc2)nc2ccccc12	748636971	CVEXBUHXKQMROE-UHFFFAOYSA-N	406.392	4.655	50	20	HJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)on1	748716675	QUFFKLVHOFHHSA-UHFFFAOYSA-N	418.862	4.594	50	20	HJGD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCC[C@@H]2CCSS2)cc1	750874805	OLGWPJZAMSXSDU-NHCUHLMSSA-N	422.660	4.974	50	20	HJGD	
O=C(NC[C@H]1CSCCS1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	756064818	XAMQLCDIIXFAJJ-CABZTGNLSA-N	416.943	4.876	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)n1	759408292	MKFYKWQQXMOTME-UHFFFAOYSA-N	402.882	4.794	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)c(Br)c1O	761013209	QGBGJUDAQFTZAP-WQLSENKSSA-N	424.197	4.555	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1	761591791	VJANNTHHFKRTMA-UHFFFAOYSA-N	411.380	4.689	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1	761996671	MMLSKBQDMBFKFL-OAHLLOKOSA-N	423.310	4.927	50	20	HJGD	
O=S(=O)(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cn2c(n1)CCCC2	762457204	QHMYNMGKAAQEKL-UHFFFAOYSA-N	403.398	4.678	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc(C#N)n1C	763080680	SNAHNGKQNSAIJT-UUASQNMZSA-N	407.886	4.528	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc(C(F)F)cc2)c(C)n1C[C@H]1CCCO1	764502502	DGECTGBLVDDAER-TUJQNWBVSA-N	414.452	4.872	50	20	HJGD	
Cc1cc(NC(=O)NNc2ccccc2C(F)(F)F)ccc1OC1CCOCC1	770035960	BNPGOINEMZYJRF-UHFFFAOYSA-N	409.408	4.720	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3cnccc3C)c2C)cc1	771385755	YZWBMBUZUYBVBO-LANLRWRYSA-N	414.509	4.591	50	20	HJGD	
C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)CCCC[C@@H]1CCSS1	772756801	RCUNAWFAHFEDPH-PKOBYXMFSA-N	415.628	4.986	50	20	HJGD	
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCS1	773348116	GTKJPFQASZEIKC-NSHDSACASA-N	404.426	4.637	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(OCC(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1	777425588	CCPKDJDVHZIKDJ-LBPRGKRZSA-N	414.811	4.633	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1	777479029	DJZYCDDGTCHELO-UHFFFAOYSA-N	410.477	4.577	50	20	HJGD	
C[C@@H]1c2cccn2CCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777853200	MRJIVLRCHPRTTQ-LLVKDONJSA-N	402.410	4.911	50	20	HJGD	
CC(C)(CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)N1CCCCC1	777875729	XGHLFNWWMGFAKN-UHFFFAOYSA-N	422.485	4.887	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccccc1OC(F)(F)F)C(=O)c1ccc(Cl)cc1	779210061	WDNUYLSYGYKSHK-NSHDSACASA-N	400.784	4.591	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2ccc(C(C)(C)C)cc2)c(C)n1C[C@H]1CCCO1	780805819	BYRVQDMQEBWFNE-QFXXMJIKSA-N	420.557	4.632	50	20	HJGD	
Cc1ccccc1[C@H](CO)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982060	VCEWZSIKVPHESC-HNNXBMFYSA-N	417.421	4.664	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1	785345392	OPAPQUZALVUPGQ-JYRVWZFOSA-N	400.221	4.694	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNC(=O)Nc1ccc(Cl)cc1	802017889	DJVVZDMVWVRGJW-UHFFFAOYSA-N	402.907	4.515	50	20	HJGD	
CC(C)(C)c1ncc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cn1	806941803	IXUWHUHWLJGHNJ-UHFFFAOYSA-N	418.122	4.600	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H]1COc2ccccc2[C@@H]1O	808843470	GBBPQBLHYTUREF-ZFWWWQNUSA-N	410.364	4.960	50	20	HJGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	810209621	UDBQVKUNHOIYFT-ZSOIEALJSA-N	403.419	4.513	50	20	HJGD	
C[C@H]1CN(C(=O)c2ccc(NCc3ccc(OCCCCl)cc3)cc2)C[C@H](C)O1	811501774	WTQQRKNYCUPZPF-ROUUACIJSA-N	416.949	4.556	50	20	HJGD	
CCn1c(SCC(=O)NNc2c(C)cccc2C(C)C)nnc1-c1cccs1	812766007	CUAQVYYZZWCXRH-UHFFFAOYSA-N	415.588	4.694	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)c1C	825747250	SUUSLEUITDODLE-IMEWXKHHSA-N	413.949	4.825	50	20	HJGD	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(/C#N)C(=O)NC1CCCC1	834902800	DBXIBPPNUCEMPO-LCYFTJDESA-N	422.838	4.819	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(-n3ccnc3)nc2)c(C)n1C1CCCCC1	914452098	GSVCETAARQSRGN-MOSHPQCFSA-N	414.513	4.737	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2cccc(F)c2)C(C)C)c1C	914501594	CDXNAUADVUTFMG-WQFTWXBESA-N	411.521	4.796	50	20	HJGD	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NN(C)c1ccccc1	916146898	JVAYQJQYZYEEQE-UHFFFAOYSA-N	417.893	4.883	50	20	HJGD	
CCOc1c(Cl)cc(C=NNC(=O)CCSc2ccc(F)cc2)cc1OC	916346016	LEXCCYZIISYAGL-UHFFFAOYSA-N	410.898	4.519	50	20	HJGD	
O=C(NNc1cncc(Cl)n1)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	918099944	IAIOYQVMWXQBNW-QGZVFWFLSA-N	422.703	4.853	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1	920387107	IMWVUYNKAPILPR-LCYFTJDESA-N	418.400	4.588	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCCc3cnn(C(C)C)c32)c1C	1325537946	BAHXHPQLQONASE-JFLYLQGUSA-N	407.562	4.783	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H]2CCSc3ccccc32)c(C)n1C[C@@H]1CCCO1	1344018978	YPFKTKNFNSKQQU-FCUASCOBSA-N	422.550	4.971	50	20	HJGD	
Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)s1	1786832274	IVOJXARGZXWQOT-GOSISDBHSA-N	408.926	4.658	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1828822860	BAWPTQBDCCQRKV-VQTJNVASSA-N	409.014	4.640	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	15188764	UNXNHRIDYZSCNV-FYWRMAATSA-N	403.394	4.799	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1C	50475126	CWZNVUPLWSIHTL-JCMHNJIXSA-N	418.541	4.573	50	20	HJGD	
CCN(Cc1ccc(Cl)s1)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	302896397	OFLXXYWNVAVTCA-BFERYNQYSA-N	419.978	4.983	50	20	HJGD	
COc1ccc2cc(/C=C\C(=O)NNC(=O)c3ccc(Cl)cc3Cl)ccc2c1	726269894	UZVCGPHXABNWLZ-OQFOIZHKSA-N	415.276	4.630	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(F)c(F)c2F)cnn1-c1cccc(Cl)c1	727759936	KJEVLOWQHRWSIS-UHFFFAOYSA-N	408.811	4.823	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	731984399	GQVGZEIPQSXRQQ-UHFFFAOYSA-N	404.378	4.681	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C(=O)OC)c2cccc(Cl)c2)c1C	733817404	MNULUPSWNARVFL-ZMUHTPIZSA-N	414.889	4.533	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2(C(F)(F)F)CCCCC2)c(C)n1C[C@@H]1CCCO1	735249236	SZFPRWOWGYZABJ-OVCORXIESA-N	423.479	4.572	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccsc3s2)c1C	735460660	DGAUDLHMNAWJBS-AAWHYMEISA-N	400.529	4.529	50	20	HJGD	
CC[C@@H](CC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccc(C)cc1	737543445	CJQCEHAFHANZTH-ZDUSSCGKSA-N	423.738	4.756	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)c1ccc(Oc2ccncc2)c(Cl)c1	741573073	SPCPBPBWUPOHIZ-UHFFFAOYSA-N	417.852	4.755	50	20	HJGD	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NNc1cccc(C)c1	743301312	BWXDFTWALNQUCY-UHFFFAOYSA-N	405.882	4.761	50	20	HJGD	
CC1(C)C(=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)[C@H]2CCCO[C@H]21	743431395	UJNDNKUFZGOEOE-FZKQIMNGSA-N	403.935	4.572	50	20	HJGD	
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NNC(=O)c1cccc2ccccc12	743576811	JPYZHOMDCCNAGC-ZDUSSCGKSA-N	416.308	4.722	50	20	HJGD	
CCOc1c(Br)cc(C(=O)NNc2c(C)cc(C)cc2C)cc1OC	743765514	UILWDSNHNHDTNJ-UHFFFAOYSA-N	407.308	4.539	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc(C)c1OC(F)F	748704573	JHIIRAGDXOTSEF-UHFFFAOYSA-N	404.335	4.603	50	20	HJGD	
C[C@@H](CCC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1	750537474	LKOYHVVNYSWUKY-AWEZNQCLSA-N	415.419	4.584	50	20	HJGD	
O=C(NN=C[C@H]1CCOc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccccc1	752155259	NIFWDRROCCTUFR-HXUWFJFHSA-N	422.488	4.821	50	20	HJGD	
O=C(CCCCc1ccc(Cl)c(Cl)c1)NNC(=O)Cc1c[nH]c2ccccc12	752993257	QKWPPEXUSMLLHL-UHFFFAOYSA-N	418.324	4.578	50	20	HJGD	
CC(C)c1ccc(C2(O)CCC(=NNC(=O)c3cc(Cl)ccc3O)CC2)cc1	753923507	IZDNNSIEFGYUID-UHFFFAOYSA-N	400.906	4.717	50	20	HJGD	
CC[C@H](C)c1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1	755806528	FYISTMYURHOSRN-ZDUSSCGKSA-N	415.419	4.828	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)cc1	755859832	MXVOSJWUFYGKCI-UHFFFAOYSA-N	421.404	4.563	50	20	HJGD	
CCc1nc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cs1	762656561	SKIBMLFEDFAAJF-UHFFFAOYSA-N	415.409	4.618	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cnc(-c2ccc3c(c2)OCO3)s1	763617889	WKYVKNGKMXSXEK-UHFFFAOYSA-N	408.266	4.603	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCc2c(ncn2CCc2ccccc2)C1	770532317	IHIJWSOHZHJNLR-LJQANCHMSA-N	415.628	4.725	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccc(Br)c(F)c2)c1	771681897	NYQCKSJVBAPMLG-UHFFFAOYSA-N	424.270	4.692	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cccn2[C@@H](C)Cc2ccccc2)c1C	774266437	VRWIRFQLSDCUDB-KRWDZBQOSA-N	406.555	4.540	50	20	HJGD	
CCCc1nc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)s1	777033481	KOLNLEAOOHLAOM-KPYNCUPYSA-N	400.548	4.575	50	20	HJGD	
N#CC1=CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)CC1	780688605	MTSAFOYIRITQGJ-XYUDRNGQSA-N	420.397	4.791	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2nccnc2-c2nc3ccccc3s2)cc1	780802962	ZIHUCYODEPRBJK-UHFFFAOYSA-N	403.511	4.808	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2ccc(Br)c3cccnc23)c1	785098020	SMRUJVGASJFWCQ-YBEGLDIGSA-N	423.266	4.656	50	20	HJGD	
CC(=NNC(=O)COc1ccccc1-c1ccccc1)c1cnn(C(C)(C)C)c1C	787151218	ZWAYQQMBQDMHOJ-UHFFFAOYSA-N	404.514	4.533	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1ccc(F)c(F)c1F	790633431	YWVWIOMHGJNAIV-UHFFFAOYSA-N	409.408	4.527	50	20	HJGD	
Cc1csc(-c2ccc(NC(=O)C(=O)NNc3cc(Cl)cc(Cl)c3)cc2)n1	792441251	MAVPIUMRCJGDRM-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
CC(C)CNC(=O)/C(C#N)=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	797333625	UHSRXINSONSNKP-NVNXTCNLSA-N	416.308	4.925	50	20	HJGD	
CS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	800556281	IAJKDMRURFGAPG-LBPRGKRZSA-N	422.441	4.775	50	20	HJGD	
O=C(NNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)Nc1ccc(Cl)cc1	802018913	RLWAURKJDQVYNZ-CCHVVGMOSA-N	415.843	4.642	50	20	HJGD	
C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccsc1	802585664	LHIXRPFGGHFPOH-VFZGTOFNSA-N	422.881	4.783	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1c(-c2cccc(Cl)c2Cl)noc1C	805383472	CBXCANOHXROQOF-UHFFFAOYSA-N	421.240	4.930	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2sc3cc(F)ccc3c2C)c1C	806864500	OJZVTUHRHNSLHP-UHFFFAOYSA-N	407.474	4.575	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2cccc(F)c2)C(C)C)c(C)n1C[C@H]1CCCO1	914503064	YAAUFEQCDAHDKK-LYRGBEMXSA-N	423.532	4.767	50	20	HJGD	
CCCCCNC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	915879070	IIGKQBCIONECRH-UHFFFAOYSA-N	405.951	4.767	50	20	HJGD	
O=C(NN=C1CSCc2ccccc21)c1cc(-c2ccncc2)nc2ccccc12	915934807	HSFRPJGPTMTSIW-UHFFFAOYSA-N	410.502	4.678	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccnn2[C@@H](C)CC(C)C)c1C	917667511	AMUNRLVVIPGZKF-KQWOTGNYSA-N	411.550	4.662	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H](CCc1ccccc1)c1ccccc1	918231414	IJJIBMCZMCXWHI-NRFANRHFSA-N	407.901	4.658	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)cc1	918605039	ZQOAOBMORGMQDX-OMNSNBSWSA-N	403.526	4.863	50	20	HJGD	
O=C(NN=C/C=C\c1ccco1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	920358403	CXEIIAGUPAHTRV-HFDXGNEISA-N	402.479	4.877	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNC(=O)c1ccc3ccccc3c1)c(C)n2C1CC1	1317958390	SRYHDJJCXGYESV-UHFFFAOYSA-N	413.477	4.521	50	20	HJGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	1318501468	MCDZBXNFXKXGJY-ZDUSSCGKSA-N	407.440	4.607	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccc2occc2c1	1788584942	MWKKNYYDQFYCLV-GOSISDBHSA-N	400.837	4.715	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@](C)(Cl)CCl)cc3)CCC2)o1	1790489011	KOQLFLMMZAAXES-IBGZPJMESA-N	409.313	4.572	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)c1Cl	1792111062	BVKCFHPFFJBAFQ-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)cc1	1803829478	YLSQUHYSFJYOMD-LRSLUSHPSA-N	410.945	4.623	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cccc(Cl)c2C)c1C	6609851	QKAIKHALYCMCMF-WOJGMQOQSA-N	413.905	4.566	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCCCc1nc(-c2ccncc2)cs1	110959208	UORDXHSRUVJYTP-INIZCTEOSA-N	407.630	4.968	50	20	HJGD	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727846993	NOUFNONYTSQDKW-NSHDSACASA-N	406.269	4.787	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2C)c1C	729539526	KTSLDILBHNTNOT-IDCRMVTHSA-N	421.541	4.999	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731015737	DCPQJMCHRZKHCG-JWGURIENSA-N	403.526	4.545	50	20	HJGD	
CCC(CSc1ccc(Cl)cc1)=NNC(=O)c1cc(Br)c[nH]1	734297084	SAWLWSVCYGQGBK-UHFFFAOYSA-N	400.729	4.719	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(C(=O)N(CC)CC)c2)c1C	741600038	QNWXMQDAVGUWRH-STZFKDTASA-N	407.514	4.510	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F	742035692	WCHMYEQVSDMMQC-VIFPVBQESA-N	405.203	4.577	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1	743819910	KHQJRYVTKQOXCT-JKSUJKDBSA-N	408.354	4.732	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C	744844990	BDSYMZAVEPYZGO-WQLSENKSSA-N	406.269	4.661	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3ccc(C(F)(F)F)cc3)c3c2CCC3)c(F)c1	747609124	KVCGYCYHOGBBOC-UHFFFAOYSA-N	418.394	4.584	50	20	HJGD	
O=C(NNc1ccccc1F)c1ccc(Oc2cccc(Br)c2)nc1	748050393	JSTNQHAMCPRHHP-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
CC(=O)[C@H](C)SCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	748651895	VMGPKPJZZLYWBR-HNNXBMFYSA-N	408.445	4.783	50	20	HJGD	
CCOCCCNC(=O)/C(C#N)=C/c1nc(-c2cc(Cl)ccc2Cl)cs1	753896968	HABPHGQQVQAZGT-XYOKQWHBSA-N	410.326	4.567	50	20	HJGD	
CC(C)n1ncc(C(=O)NNc2ccc(Br)cc2F)c1-c1ccccc1	754273453	CSVCDFQHYJJHKS-UHFFFAOYSA-N	417.282	4.790	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)Nc1cccc(C2SCCS2)c1	755533346	HXEACFDOYBMOLK-UHFFFAOYSA-N	409.536	4.785	50	20	HJGD	
C=C(C)COc1cccc(NC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1	756327364	QXHKJAYTQDYIDW-UHFFFAOYSA-N	422.510	4.540	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1	756407901	GRGNSGXRWPJRFV-QFIPXVFZSA-N	414.465	4.697	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1cccc(Oc2ccncc2)c1	756550946	UPTMMMZWMKPZTI-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1	760137371	LMJMSMRPKGUBJE-UHFFFAOYSA-N	407.276	4.751	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(\C#N)C(=O)c3cc(F)cc(F)c3)cc2)oc1C(=O)O	772174657	CMTGNMMWTVJOJJ-FRKPEAEDSA-N	423.371	4.933	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773145719	UCZJMBWJRYCVAN-DHDCSXOGSA-N	422.353	4.610	50	20	HJGD	
O=C(NC[C@H]1COC2(CCCC2)O1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	774025839	NTLDLMJQJOGTJF-SMDDNHRTSA-N	424.872	4.713	50	20	HJGD	
O=C(NNc1ncccn1)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12	775695531	OUFXLBDTBIWXIG-UHFFFAOYSA-N	406.833	4.619	50	20	HJGD	
COC(=O)c1sccc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777599834	SSAHTEPMNSYWEM-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
COc1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c(C)n1	777668728	COOVOCASIAIRLL-UHFFFAOYSA-N	404.382	4.857	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(-c4ccsc4)nc3C)c(C)cc2c1	778478964	LNTIWTCORPVLNS-UHFFFAOYSA-N	404.495	4.741	50	20	HJGD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CCO1	778756056	JGMNDBWFZVHAOC-VXKWHMMOSA-N	424.545	4.673	50	20	HJGD	
CCC(=NNC(=O)Cc1nc(O)c2c(C)c(C)sc2n1)c1cccc2ccccc12	780198146	NBNONUAXKAUSMO-UHFFFAOYSA-N	418.522	4.640	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1oc2ccccc2c1COc1ccccc1	780738882	QHFXCUYBQYCFJU-UHFFFAOYSA-N	416.433	4.555	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1	781834457	WDQRDCUONSBFGX-UHFFFAOYSA-N	411.651	5.000	50	20	HJGD	
N#C/C(=C/c1cccn1Cc1ccccc1C#N)C(=O)Nc1ccc(F)c(Cl)c1	782196987	DRHZEWILNPTKKE-YVLHZVERSA-N	404.832	4.746	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@H](CN2CCOCC2)C1	784460871	ZKSJNKGRDMNONI-CYBMUJFWSA-N	415.428	4.530	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)c1C	785701953	GIDRKVUOUOZZGP-BKUYFWCQSA-N	420.557	4.849	50	20	HJGD	
CSc1ccc(COC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	786388750	BXGZQSDRVUCUNP-OCBOALCKSA-N	410.539	4.656	50	20	HJGD	
Cc1cccnc1NNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1	791225432	OUUSCXMQKSMPHY-UHFFFAOYSA-N	417.900	4.712	50	20	HJGD	
O=C(Cc1ccc(OCc2ccccn2)cc1)NNc1cc(Cl)cc(Cl)c1	791733379	KYLMXQLDZJCKJW-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(C2CCC2)cc1	792333641	OZYYCGIRGWSSGO-UHFFFAOYSA-N	413.403	4.582	50	20	HJGD	
CC[C@H](C)c1ccc([C@@H](NC(=O)NNC(=O)c2cccc(C)n2)c2cccs2)cc1	792792227	OCAIIALHBFCIFJ-YCRPNKLZSA-N	422.554	4.699	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc1O	794885658	UYZRPDTYLSQTSW-OVCLIPMQSA-N	409.239	4.501	50	20	HJGD	
O=C(CCc1ccc(NCc2ccc(OCCCCl)cc2)cc1)N1CCCC1	811469380	COZXMBBRJRJMDV-UHFFFAOYSA-N	400.950	4.861	50	20	HJGD	
CC(=NNC(=O)COc1ccc2ccccc2c1)c1sc2nc(C)nc(C)c2c1C	863968164	GJXKBTHSIXEPEA-UHFFFAOYSA-N	418.522	4.689	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1C	881444990	YPQBLFNPBVBJSW-QNGOZBTKSA-N	420.557	4.979	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	913454733	YZUKYHMCGHAABJ-UHFFFAOYSA-N	413.587	4.927	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(OC2CCCC2)cc1	914833996	NKPQHHOQDXOKMS-UHFFFAOYSA-N	409.364	4.692	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)c3ccsc3)cc2OC)o1	915989271	BPDMHKPWSHKUEE-SXGWCWSVSA-N	423.446	4.505	50	20	HJGD	
CCSc1ccccc1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1	917511882	RAKNHGAMVGKTNY-UHFFFAOYSA-N	424.497	4.592	50	20	HJGD	
Cn1ccnc1[C@H](NC(=O)NNc1ccccc1C(F)(F)F)c1ccc(Cl)cc1	918198435	WLEMRTLSCJTGON-MRXNPFEDSA-N	423.826	4.508	50	20	HJGD	
CCC1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1	918658720	MGWCRUPSCSVESG-XMHGGMMESA-N	421.932	4.673	50	20	HJGD	
COc1cc(OS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)ccc1C=O	1116531264	IJXMXXURAFNFKC-UHFFFAOYSA-N	418.361	4.933	50	20	HJGD	
Cc1c(Cl)cccc1C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1785949119	BIUPWQLBGXWWLX-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCc4ccoc4C3)cc2)CCC1	1786217807	JANLCZOTQQMRMN-QFBILLFUSA-N	414.933	4.536	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)s3)cc2)CCC1	1789862439	DBLBCUVTFJUPOE-CYBMUJFWSA-N	412.342	4.562	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCC1	1790214007	RMOURYJWHHPMJS-FQEVSTJZSA-N	423.315	4.810	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1	1819552440	LLXUQVHECLVUNL-INIZCTEOSA-N	408.974	4.659	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2)n[nH]1	1820498654	FIWQLHXOOIRXLW-DOTOQJQBSA-N	423.344	4.777	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1OC(F)F	16437671	LULLEDNRRCRBQC-UKTHLTGXSA-N	424.350	4.834	50	20	HJGD	
Cc1occc1-c1nnc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)o1	23894456	MTIAYXNFJYVINM-RGJLELDCSA-N	410.480	4.641	50	20	HJGD	
Cc1cccc(NNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1	195662070	PUHAKALDPNZHOM-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCO[C@@H](c3ccccc3F)C2)c1C	727393399	AAPYWIOFNYLTFH-QFXXMJIKSA-N	409.505	4.551	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)CCCc1ccccc1	727717284	IKMDJWMKSLQHJG-UHFFFAOYSA-N	413.930	4.556	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	727793311	BTEXIYXWIYAYBH-UHFFFAOYSA-N	424.284	4.639	50	20	HJGD	
CCCC[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(OC)cc1	728595476	HRHXOQMDCKGGGX-JOCHJYFZSA-N	405.498	4.724	50	20	HJGD	
N#C/C(=C/c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)c1ccc(Br)s1	730436803	MHKAMENIMXBEFR-DNXIFWLFSA-N	418.312	4.858	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2cccc(NC(=O)C(C)C)c2)c(C)n1CC(C)C	733172661	CTEQSYJJOCWIPX-JAIQZWGSSA-N	407.514	4.868	50	20	HJGD	
CC1(C)C(=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)[C@@H]2CCCO[C@@H]21	743431399	UJNDNKUFZGOEOE-UGSOOPFHSA-N	403.935	4.572	50	20	HJGD	
COc1ccccc1-c1ccc(C(C)=NNC(=O)Nc2ccc(C(=O)O)cc2)cc1	743444683	SVBCYMCTBRZBOL-UHFFFAOYSA-N	403.438	4.606	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NN=C(C)c2ccc([S@@](C)=O)cc2)cc1	746370359	JKLIIEZEQNLICV-MUUNZHRXSA-N	400.544	4.537	50	20	HJGD	
CCCN(CC)Cc1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1	746893685	NPURTWMNBVYWNW-UHFFFAOYSA-N	404.436	4.566	50	20	HJGD	
C[C@H](c1ccco1)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	747000763	SBDNMAHHLQJJRB-HWPZZCPQSA-N	420.840	4.657	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccccc1CSc1nc2ccccc2o1	748004595	KYIKAIVZEDXDCE-UHFFFAOYSA-N	420.450	4.785	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCC(F)(F)F	750899604	JGZSCZSKWOGNIA-NTEUORMPSA-N	408.351	4.711	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	752485494	NXNINNWKQXERLD-LUJRCDHRSA-N	409.461	4.957	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)Cc2cc3c(ccc4ccccc43)o2)c1	753287178	FZRUTRSBAZJHFR-UHFFFAOYSA-N	407.470	4.594	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](C)c2nccs2)c(C)n1-c1ccccc1F	754735651	IVWFRKQWZRRNTB-DZBQEORWSA-N	408.502	4.517	50	20	HJGD	
C[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1nc(C2CCCCC2)no1	755067245	IZGIEHPMNRVIOA-IBGZPJMESA-N	423.497	4.782	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CCCc2csc3ccccc23)c1	755650949	YZIHQQSUTHUACK-UHFFFAOYSA-N	401.532	4.689	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(C#N)CCSCC2)c(C)n1-c1ccc(Cl)cc1	757988170	CBTZCIPPBRFTNE-LDADJPATSA-N	424.957	4.560	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2cc(Br)ccc2[nH]1	761590320	KNXXWQOXZJSEAS-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
O=C(COCCNC(=O)c1ccccc1)Nc1cccc(S(F)(F)(F)(F)F)c1	762529131	QZUKJOFOAXFIDJ-UHFFFAOYSA-N	424.391	4.729	50	20	HJGD	
Cn1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(-c2cccs2)n1	769551062	HUUTVYHNUWQKOJ-NTUHNPAUSA-N	424.334	4.794	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c1	770087984	VHMNXKWMXCIVBR-UHFFFAOYSA-N	419.190	4.955	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1nccnc1C(C)C)c(C)n2C1CCCC1	772890676	JHLPGBBTMRHQFR-UHFFFAOYSA-N	407.518	4.744	50	20	HJGD	
Cc1noc(C)c1[C@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773250940	DMGDHOYBGRKUNL-QMMMGPOBSA-N	413.368	4.765	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1ccc(C(F)(F)F)cn1	775261536	JJOUJPUZBRHBPN-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
CCCNC(=O)c1ccc(NC(=O)NNc2c(Cl)cccc2Cl)cc1Cl	775551445	MUJCXONALYFIEO-UHFFFAOYSA-N	415.708	4.935	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	776640451	GZHSKQRSNAUZEE-AQTBWJFISA-N	401.491	4.562	50	20	HJGD	
COc1ccccc1CC(=O)NN=Cc1ccc(Br)cc1SC(C)C	779772625	WCXWOEQDEQYVRE-UHFFFAOYSA-N	421.360	4.651	50	20	HJGD	
C[C@H]1C[C@@H](CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO1	784419615	ZYHAWBPBOSLHBO-RYUDHWBXSA-N	409.442	4.828	50	20	HJGD	
CC(C)Sc1cccc(Cl)c1C=NNC(=O)c1cc(Br)c[nH]1	786039123	SNSRTHHLGLBUJN-UHFFFAOYSA-N	400.729	4.695	50	20	HJGD	
COCCc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	786669947	PPLHXMRDAGZRFN-RCCKNPSSSA-N	417.484	4.968	50	20	HJGD	
COCCOc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1	787146540	ZETGCUUFVGFKQH-KNGSKEOJSA-N	419.308	4.803	50	20	HJGD	
COc1cc(NNC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)ccc1Cl	790186239	ADKOFXBRTUHSLM-UHFFFAOYSA-N	411.889	4.696	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1	798982256	GVHPANPKQUYHPE-NSHDSACASA-N	406.326	4.893	50	20	HJGD	
CC(C)(C(=O)NNc1nc(C(F)(F)F)cs1)c1csc(-c2cccs2)n1	800692100	BTLVWXURRUINTI-UHFFFAOYSA-N	418.491	4.768	50	20	HJGD	
O=C(NNC(=O)c1sccc1-c1ccc(F)cc1)Nc1ccc(OC(F)F)cc1	802045006	IEUZMKYCBLWUQL-UHFFFAOYSA-N	421.400	4.622	50	20	HJGD	
CC(C)(C)c1n[nH]cc1C=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	812385066	NTZWFLCZFHXYMI-UHFFFAOYSA-N	415.472	4.825	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC(c2ccc(Br)cc2)C1	814789472	DYXQESVGQUZECN-UHFFFAOYSA-N	407.695	4.775	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1	818032235	XCSBJBOYZJUXMJ-UHFFFAOYSA-N	400.482	4.595	50	20	HJGD	
Cc1cccn2cc(COc3ccc(C(=O)NNc4ccccc4Cl)cc3)nc12	844260668	WAJOOKWFOFDNMR-UHFFFAOYSA-N	406.873	4.632	50	20	HJGD	
Cc1ccc(NC(=O)NC(=O)[C@@H](C)OC(=O)CCCC[C@H]2CCSS2)c(C)c1	861788020	YVEJUNPVGVFJGN-CVEARBPZSA-N	424.588	4.597	50	20	HJGD	
C[C@@H](Oc1cccc(Br)c1)C(=O)NN=Cc1c(Cl)cccc1Cl	916344878	PBZKDDSJYBYQRY-SNVBAGLBSA-N	416.102	4.674	50	20	HJGD	
COc1ccc(-c2nn(Cc3ccccc3)cc2C=NN(C)C(=O)OC(C)(C)C)cc1	920381374	PTQKJOGZSQOKMF-UHFFFAOYSA-N	420.513	4.808	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cc4ccccc4s3)cc2)cc1	921193679	KCJWYSKYVJKNID-UHFFFAOYSA-N	422.531	4.799	50	20	HJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(OC)c(O)cc2Br)c1C	921262735	XYOJOJMXDNMAFT-NVNXTCNLSA-N	417.303	4.782	50	20	HJGD	
O=C(CCl)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1	1319674595	QHXOFFXBLWIRJP-HNNXBMFYSA-N	403.762	4.509	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cc2c(s1)CCC2	1787563928	JZJFDENGWGXVBG-KRWDZBQOSA-N	406.910	4.519	50	20	HJGD	
C[C@]1(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)CC=CCC1	1789650058	DSALXWVVODYRKJ-QFIPXVFZSA-N	414.622	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(F)c3)CCC2)cc1	1790484983	ZRNVWFCQZYHGRU-KRWDZBQOSA-N	418.896	4.599	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccc2ccoc2c1	1790891531	HSBUZEQPLNEJIE-GOSISDBHSA-N	400.837	4.715	50	20	HJGD	
CC(C)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2	1792886795	LLWISSPGWGVAOZ-KOUNCHBCSA-N	424.972	4.870	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)[nH]n1	1815321640	DTIXHJSDFNUZSF-HKUYNNGSSA-N	416.953	4.740	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1	1824614384	MPVKKXHNJPNIAL-FBWYZNFGSA-N	423.022	4.789	50	20	HJGD	
Cc1occc1C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	5273137	RMYWWPYEDQIVJZ-UHFFFAOYSA-N	405.841	4.531	50	20	HJGD	
CC(=NNC(=O)c1sc2nc(C)cc(C)c2c1N)c1sc(C(C)(C)C)nc1C	254307727	NIKUTXPWMGKCRZ-UHFFFAOYSA-N	415.588	4.712	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cccc(OCc2cccs2)c1	727792241	MLDJKDORXGMIKK-UHFFFAOYSA-N	421.305	4.709	50	20	HJGD	
Cc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3cnn(CCCl)c3)c2C)cc1C	728695951	IVABTEBPCNLZDU-JAIQZWGSSA-N	406.917	4.936	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)/C(=C\c1ccc(F)cc1)c1cccs1	732112504	AGRCHYQTGAVESO-LGMDPLHJSA-N	406.442	4.621	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)c1C	734257342	SGZIBCZCMUKSMT-UHFFFAOYSA-N	400.486	4.517	50	20	HJGD	
O=C(CCc1nc2ccccc2n1-c1ccccc1)NNc1cc(F)c(F)cc1F	734553129	FUYAEUNAAWVAQG-UHFFFAOYSA-N	410.399	4.519	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cc(Br)ccc3OC(F)F)nc12	741474274	WUMYNTLFUZNARI-WDZFZDKYSA-N	405.202	4.694	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3cnn(C)c3)cs2)c(C)n1CCC(C)C	741607526	IHEQNYRGQLFYIE-GIJQJNRQSA-N	422.558	4.554	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cn(C)c3ccccc23)cc1OCc1ccccc1	744782688	YKSJBIFBUORMFI-UHFFFAOYSA-N	413.477	4.530	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1cc(C)c(OCC(=O)OC)c(C)c1	746341010	ZOCISJWYVNVLQB-FYJGNVAPSA-N	420.509	4.526	50	20	HJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1cccc2cccnc12	747356571	UFICCHXFZIHFHF-UHFFFAOYSA-N	417.900	4.961	50	20	HJGD	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1)O[C@H](C)C2	747598965	LSVFHZACCNXNDD-PUECVXPYSA-N	420.431	4.674	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccccc1C(=O)c1cccs1	748199538	NYICIENXRJUYKV-UHFFFAOYSA-N	419.275	4.638	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F	748548610	CEBNEPULWNUDNQ-UHFFFAOYSA-N	402.420	4.788	50	20	HJGD	
O=C(CC1CCCC1)NN[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	749699835	ISVIWWGXZXYODD-HXUWFJFHSA-N	419.447	4.586	50	20	HJGD	
CC(C)C[C@@H](C)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	752231637	WPRFVYAPLNGHOR-UWCCDQBKSA-N	409.921	4.575	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1sc(C)cc1OC(F)F	753173799	NLZGKJVAPHZUDV-UHFFFAOYSA-N	405.264	4.740	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1ccc(SC2CCCC2)cc1	755736585	HWDPMLHNZWPUND-UHFFFAOYSA-N	422.510	4.843	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1	758016232	FBXIHURKKVNIHR-UHFFFAOYSA-N	420.419	4.509	50	20	HJGD	
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762965294	AUVIMJFEJSWACW-SNVBAGLBSA-N	410.430	4.631	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1	767723990	ZMPATLCJQCWYKS-QPEQYQDCSA-N	413.256	4.940	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)oc1C	767856417	ULGDPMXNUHRMSX-UHFFFAOYSA-N	412.511	4.610	50	20	HJGD	
CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	768385572	IIFSCKRQBNKVPH-GOSISDBHSA-N	406.368	4.572	50	20	HJGD	
COc1ccc(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)nc1	770129420	PHYRTSLPWGCVCC-CQSZACIVSA-N	405.829	4.631	50	20	HJGD	
N#C/C(=C/c1ncc(-c2cccc(Br)c2)[nH]1)C(=O)c1cc(F)cc(F)c1	773169375	AHQHIMFDERGBOO-QPEQYQDCSA-N	414.209	4.907	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCC[C@H](OC(F)F)C1	773487182	FJAGCGIEOAPKON-JTQLQIEISA-N	424.338	4.513	50	20	HJGD	
Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCCCSC#N	773594604	WIHWDLYRUQCSJO-UHFFFAOYSA-N	404.333	4.517	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1	777482081	XANMGHZPZHHIMB-UHFFFAOYSA-N	415.497	4.939	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(-c4cccs4)nc3C)c(C)cc2c1	778481299	GDRCYNMTZSQAQW-UHFFFAOYSA-N	404.495	4.741	50	20	HJGD	
C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CS2	782116049	ZDEJLPPABHNENR-FZMZJTMJSA-N	402.410	4.737	50	20	HJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NNc1ccc(C(C)(C)C)cc1	784803551	NPXYMNALWBDGDV-UHFFFAOYSA-N	411.546	4.689	50	20	HJGD	
COC[C@H](OC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C)c1nccs1	785548045	YOFSLMRLAVTGLK-SQWSFHKJSA-N	413.543	4.905	50	20	HJGD	
Cn1cnnc1SCc1ccc(C(=O)NN=C2CCC3(CCCCC3)CC2)cc1	786038523	WEHHAKZKVDSDRR-UHFFFAOYSA-N	411.575	4.718	50	20	HJGD	
O=C(NN=C1CCC2(CCCO2)CC1)c1cc(-c2ccncc2)nc2ccccc12	788017404	RMFZNHOLADREAC-UHFFFAOYSA-N	400.482	4.506	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC(CNC(=O)OC(C)(C)C)CC3)cc2C1	794883044	WDIOGERBDUYNHM-GICMACPYSA-N	419.591	4.674	50	20	HJGD	
CO[C@H](C)c1nsc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)n1	800990263	MHINACUFNKFOOW-CJMVGXJBSA-N	421.526	4.507	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1cc(C(F)(F)F)ccc1F	807150962	CQYVDVZPRILLNA-UHFFFAOYSA-N	408.351	4.788	50	20	HJGD	
CC(CCc1ccc(O[C@H](C)C(=O)O)cc1)=NNC(=O)c1c(Cl)cccc1Cl	814834007	XHAMCEIPYAQLIU-CYBMUJFWSA-N	423.296	4.584	50	20	HJGD	
O=C(CSc1ccc(O)cc1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014592	PKHNSENZOKEGOH-UHFFFAOYSA-N	410.339	4.665	50	20	HJGD	
Cc1cc(CSc2ccccc2C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)on1	818324079	QRHPWTRGXPUCTL-UHFFFAOYSA-N	423.538	4.648	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCc2cccc3cccnc23)c(C)n1CC(C)C	898827849	XAELDILWVMVWPR-UCQKPKSFSA-N	400.526	4.575	50	20	HJGD	
O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1cccc(Cl)c1	915880052	HXVIIFCHNGFYAG-UHFFFAOYSA-N	413.836	4.525	50	20	HJGD	
COc1cccc(C=NNC(=O)COc2ccccc2-c2ccccc2)c1OC(C)C	916295403	SVQGSTZQLIGXRF-UHFFFAOYSA-N	418.493	4.679	50	20	HJGD	
CCCCC/C(C=NNC(=O)c1nn(CC)c(=O)c2ccccc12)=C/c1ccccc1	916321672	WGZCOAPFLBMIPP-GPUCESTJSA-N	416.525	4.796	50	20	HJGD	
CN(C)c1cccc(Cl)c1C=NNC(=O)c1ccc(Br)cc1Cl	1320344212	IYMDJKOXIGVXQG-UHFFFAOYSA-N	415.118	4.586	50	20	HJGD	
CC(C)n1ncc2c1[C@@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)CCC2	1320546674	SOBVGLGOZCDVDI-LBPRGKRZSA-N	417.728	4.523	50	20	HJGD	
Cc1nc2ccccn2c1-c1nnc(/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)o1	1331875369	XGKJZBFGAZDWAL-YBFXNURJSA-N	400.486	4.831	50	20	HJGD	
CCOc1ccccc1C(=O)Nc1ccc(C2(NC(=O)[C@H](Cl)CC)CCC2)cc1	1790240741	HXMJGFLSYLHSSN-LJQANCHMSA-N	414.933	4.850	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)Cc3ccccc3)CC2)C1	1806164446	XXELNGLZVCXSBN-PZJWPPBQSA-N	419.009	4.504	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1I	59224706	ITJHQWUHSZYUHU-UKTHLTGXSA-N	422.653	4.799	50	20	HJGD	
O=P(CCN1CCCC[C@@H]1[C@@H](O)c1ccccc1)(c1ccccc1)c1ccccc1	726975300	VLWVYPHYSSJXER-FTJBHMTQSA-N	419.505	4.589	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3C(=O)O)c2)cc1	731563835	WCLSMDFDQWBWBV-MOSHPQCFSA-N	412.445	4.818	50	20	HJGD	
Cc1ccccc1[C@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)C(C)C	732676538	JZFXLQSMYSALBE-JOCHJYFZSA-N	421.497	4.508	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3cnn(C(C)C)c3)c2C)c1	732748972	RTSBKJPMMGTBML-ZIHVZMLCSA-N	415.541	4.964	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2Cl)c(C)n1-c1ccccn1	733807608	HZQUAHIKTCXBBW-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
Cc1cc(NNC(=O)c2cnc(-c3ccccc3F)s2)ccc1Br	734253361	VNKFARBRIIUQBQ-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
Cc1cccnc1[C@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)C(C)C	734675053	BNLVUCYLKOWEMY-GFCCVEGCSA-N	402.713	4.769	50	20	HJGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)Nc1ccccc1S2	741773999	RFQKYTJDWPZBPZ-UHFFFAOYSA-N	420.450	4.663	50	20	HJGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2sc3ccccc3c2Cl)cc1	744742906	KQWLXGJTFVMOJC-ZDUSSCGKSA-N	402.903	4.871	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cc1C(=O)N(C)C	751324297	DIFDBUCUZPUHCA-BKUYFWCQSA-N	420.557	4.707	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2CSc2cccs2)o1	752526365	CBCCJMFFUVVGNF-UHFFFAOYSA-N	412.492	4.763	50	20	HJGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	758415971	BECFGOMWHPFDLW-BKQORJHRSA-N	415.474	4.686	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(F)ccc2OC(F)F)c1C	760158212	GBTKXBZWUBLWIL-TUTDSIAXSA-N	421.419	4.599	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H]1c1cccc(Br)c1	767295282	POYMXNJJYANYDF-ZIAGYGMSSA-N	403.158	4.922	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(Br)cc1[N+](=O)[O-]	767717839	OQUXPKNYLMWIPC-ZSOIEALJSA-N	400.232	4.520	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@H]1CCc2c(O)cccc21	773373166	XGOJFEAXCXPYAR-AWEZNQCLSA-N	422.375	4.792	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCSCc1ccc(Cl)cc1Cl	775518808	ZBARMVDKQJOAMW-UHFFFAOYSA-N	420.793	4.709	50	20	HJGD	
CCN(Cc1ccccn1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777990732	YBHREWHSTJIOQY-UHFFFAOYSA-N	402.410	4.950	50	20	HJGD	
Cc1nnc([C@H](C)NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)s1	778070728	CHOXWUJJOOASKK-ZETCQYMHSA-N	409.427	4.543	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	785388509	XWOIFGAKJAQTAD-AWEZNQCLSA-N	408.467	4.944	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3c(F)ccc(C)c3Br)c(C)cc2c1	787502890	VJORTWFMQDUSOX-UHFFFAOYSA-N	418.266	4.519	50	20	HJGD	
COc1ccccc1SCC(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	789034092	MUAYWIKLPSUYKG-UHFFFAOYSA-N	417.943	4.715	50	20	HJGD	
Cc1c(C(=O)NNC(=S)Nc2ccccc2C(C)C)sc2ccc(C#N)cc12	794278279	HJDMEEIXECDGSB-UHFFFAOYSA-N	408.552	4.836	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F	799759732	VMQTWBMOAQUZCE-UHFFFAOYSA-N	402.420	4.827	50	20	HJGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)Nc4ccccc4S[C@H](Cl)C(F)(F)F)[C@H]1[C@H]3C2	806184208	VQRGKZAHHDKXHO-HRDLAQMESA-N	420.884	4.793	50	20	HJGD	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)s1	810042001	IGULSMPADYSAGE-UHFFFAOYSA-N	415.437	4.895	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(Cl)ncc1Br	810832009	HXFFVPRRDWEJAE-UHFFFAOYSA-N	413.461	4.700	50	20	HJGD	
Cc1ccc(CNCc2ccc(OCCCCl)cc2)c(-n2cc(Cl)cn2)n1	811493442	HMQVEIBFWIKWED-UHFFFAOYSA-N	405.329	4.527	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccc(F)cc2)C(C)C)c(C)n1C[C@@H]1CCCO1	914502839	SJPGEHNNEADJCN-MFUBYVTQSA-N	423.532	4.767	50	20	HJGD	
Cc1nc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c2ccccn12	914600637	CCQCYJKMTRCMPV-UHFFFAOYSA-N	423.451	4.761	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)o2)c([N+](=O)[O-])c1	915842327	MCMCIECTOMCWIV-JLHYYAGUSA-N	407.357	4.548	50	20	HJGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	916284562	LTBMIRRMQYSKKJ-UHFFFAOYSA-N	417.900	4.669	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CCCCc2ccccc2)c(C)n1C[C@@H]1CCCO1	916484511	AOYYVSWHBGLOMB-NJXRFNICSA-N	419.569	4.672	50	20	HJGD	
CC(C)CNC(=O)c1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	916691195	OTWKEKNZKMCULT-UHFFFAOYSA-N	416.525	4.816	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	917145227	OMSUGPBPULUUBS-CCNLRRDASA-N	404.901	4.927	50	20	HJGD	
O=C(Nc1ccccc1NS(=O)(=O)c1ccc(CCCl)cc1)c1ccccc1	917739948	UQBFZQGGDVRWBT-UHFFFAOYSA-N	414.914	4.521	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2csc(-c3ccc(C)cc3)n2)cc1	918713735	RGXLNJIYINIHDM-PDGQHHTCSA-N	417.490	4.841	50	20	HJGD	
Cc1cc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)cc1F	1792118224	LBZLGEGEMGFXSQ-KRWDZBQOSA-N	410.823	4.555	50	20	HJGD	
CCCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)CCl)[C@@H]1c1cccnc1	1812694524	UNEVEBAZFGJETD-DFQSSKMNSA-N	422.013	4.569	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2C)CC1	1823922431	BBAXICHCPKLZAU-TZIWHRDSSA-N	422.972	4.775	50	20	HJGD	
CC1(C)CCC(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)CC1	1827610610	CQFXIWIKDNQZMI-AZUAARDMSA-N	414.993	4.747	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(C)=O)c3)c2C)c1	17473176	MIHNMQORPWNGSK-CIAFOILYSA-N	413.477	4.851	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1	41013243	FSWZZWGNPTVTNB-FOWTUZBSSA-N	405.479	4.763	50	20	HJGD	
O=C(NNC(=O)c1oc2ccccc2c1CSc1cccs1)c1ccccc1O	63465291	MECQYYJMDCNIFZ-UHFFFAOYSA-N	424.503	4.567	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)ccc1SC	109417605	WEVZNAQHMCMYTE-LCYFTJDESA-N	403.301	4.725	50	20	HJGD	
Cc1ccc(OCc2nc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)cs2)cc1	141370852	LCHOGUZADHWJIL-DAQNXSASSA-N	403.507	4.815	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)c1ccc2c(c1)OCO2	207000030	VVMWQXGNZFYSMV-ODLFYWEKSA-N	401.393	4.923	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)cc2)cc1OC	207849725	CLVZTBQKVOSBCY-KQWNVCNZSA-N	412.489	4.637	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCn2c1nc1ccccc12	727432504	JDNCRGLHLBORTE-LCYFTJDESA-N	416.790	4.662	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1N1CCC(=NNC(=O)c2ccc(COc3ccccc3)o2)CC1	733907663	SABADAVENFPXQH-GCJKJVERSA-N	409.530	4.619	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)o1	734306850	UCDARSHZAGBHLN-LGMDPLHJSA-N	417.440	4.642	50	20	HJGD	
Cc1ccc2[nH]cc(C=NNC(=O)c3cc(-c4ccncc4)nc4ccccc34)c2c1	735608863	HVKMHOCZCAHUFX-UHFFFAOYSA-N	405.461	4.850	50	20	HJGD	
COc1ccc2sc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)c(C)c2c1	741922289	ADGQXLICPZOZJL-UHFFFAOYSA-N	409.294	4.600	50	20	HJGD	
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)CCCC[C@H]1CCSS1	742111824	BCFFMLVXVGDQEA-ULQDDVLXSA-N	416.653	4.900	50	20	HJGD	
Cc1cc(I)cnc1NC(=O)CCCC[C@@H]1CCSS1	743802213	MUDAGXHXUXKPGH-GFCCVEGCSA-N	422.357	4.647	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	746700757	BANYJGBCAASUST-QQJLWGBUSA-N	401.707	4.656	50	20	HJGD	
O=P(CCN[C@H](c1ccccc1)c1nccs1)(c1ccccc1)c1ccccc1	746873039	XKGVHIVHCXHVFZ-HSZRJFAPSA-N	418.502	4.836	50	20	HJGD	
CCCN(CC(C)C)C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	747003419	XDMSEKZXJNETNS-INIZCTEOSA-N	410.889	4.739	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)c1cc(F)c(Cl)cc1Cl	749540971	CJBQOZWKGGMTRA-VIFPVBQESA-N	410.232	4.584	50	20	HJGD	
CCCc1ccc([C@@H](NC(=O)NNC(=O)CCc2ccccc2)c2cccs2)cc1	750327698	FDQYFCKBXVUFGI-HSZRJFAPSA-N	421.566	4.753	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)C1(c2ccccc2C)CCOCC1	753175702	DKTZUYRBNZXVCD-UHFFFAOYSA-N	417.347	4.511	50	20	HJGD	
C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCS1	756277455	GZJZLGAXMUPQSV-SNVBAGLBSA-N	404.426	4.637	50	20	HJGD	
Cn1ccc([C@H](NC(=O)CCCC[C@H]2CCSS2)c2ccc(Cl)cc2)n1	762678845	IAAQODSZPCJONN-QFBILLFUSA-N	410.008	4.993	50	20	HJGD	
O=C(NNc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl	763534603	JRGDGQYRHOTILS-UHFFFAOYSA-N	414.824	4.756	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2ncnc3ccsc23)n1	766674971	FZHNGCPSXQXYSZ-UHFFFAOYSA-N	413.553	4.505	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1csc(COc2ccc(F)cc2)n1	766752824	UNKPBJQOEMTBBJ-HNNXBMFYSA-N	416.312	4.714	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21	768487018	SANMNIRPBVASBI-CQSZACIVSA-N	417.897	4.701	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	768984986	ZRHHQGQUDWEBPZ-AWEZNQCLSA-N	407.314	4.747	50	20	HJGD	
N#C/C(=C/c1cc(O)ccc1Br)C(=O)Nc1ccccc1C(F)(F)F	769774185	RWXGWFDNOCUCET-XFFZJAGNSA-N	411.177	4.719	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1ccc(N2CCc3sccc3C2)cc1	769994948	YDEPWPKXJCBMCY-UHFFFAOYSA-N	418.444	4.877	50	20	HJGD	
C[C@@H]1SCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1C	773281850	FARNIOOCCNMLAZ-ZJUUUORDSA-N	404.426	4.635	50	20	HJGD	
CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	775778553	ZVRTVHVJRXIDBF-HNNXBMFYSA-N	420.400	4.558	50	20	HJGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2cc(Cl)ccc2Cl)c(Cl)c1	783368849	AFIZPYZFSWDODW-UHFFFAOYSA-N	416.692	4.516	50	20	HJGD	
O=C1CC[C@H](C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n2cccc21	790718537	SYEUHURTWPAEEQ-WBMJQRKESA-N	402.825	4.864	50	20	HJGD	
NC(=O)c1ccccc1CCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	791493432	LKDKKDOPTBJNEE-KRWDZBQOSA-N	416.852	4.576	50	20	HJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)s1	797398552	IITIQTNNRPWNTC-WUXMJOGZSA-N	421.316	4.731	50	20	HJGD	
Cc1cccc2cc(C(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)oc12	804207962	SREIKWPUDHMLSH-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccccc1SCc1ccc(C#N)cc1	805379037	XDVOASLIEGLLBR-UHFFFAOYSA-N	418.478	4.824	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccnc(Oc2ccccc2Cl)c1	806303640	ZMHXDBUGVCVBAC-UHFFFAOYSA-N	410.865	4.733	50	20	HJGD	
CC[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H](C)S1(=O)=O	806422430	RSWDSFYYMBWMPP-PWSUYJOCSA-N	422.441	4.773	50	20	HJGD	
COCCn1nc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1C	813474021	MCTPRPVKXYWFMT-STZFKDTASA-N	423.561	4.616	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=C2CC(c3cc(F)cc(F)c3)C2)c1Cl	814737150	YEGTUEBJEHZCAV-UHFFFAOYSA-N	419.646	4.566	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)o1	817016969	RZTXSAVZXNRXRU-UHFFFAOYSA-N	417.103	4.837	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C	883411027	OQCHVWQXTPCOII-VCHYOVAHSA-N	422.920	4.685	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	915843610	KLNVVYJATFXPCC-UYRXBGFRSA-N	404.470	4.748	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(Br)cc2)c1)c1nc(-c2ccccc2)no1	917143278	XEIZNOIQUCHFTE-YBEGLDIGSA-N	418.254	4.749	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1C	917844451	UPNHKUPBAWCUFX-OMSQMXNNSA-N	409.505	4.598	50	20	HJGD	
O=C(NCc1cccc(Cl)c1F)NNC(=O)Nc1ccc(-c2ccccc2)cc1	1318777787	WPRQKBGYRMVRQT-UHFFFAOYSA-N	412.852	4.682	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)CCC1	1789315569	WFMKZQXIMAWEBE-SFHVURJKSA-N	424.932	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CC)c2ccccc2)CC1	1826311972	OJEQKRVIDZUSNZ-FSSWDIPSSA-N	419.009	4.817	50	20	HJGD	
Cc1ccc(-c2ccccc2C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(C)(C)CCl)cc1	1847439043	UDYWXJFPWRDANP-VXKWHMMOSA-N	424.972	4.742	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(C)c1OCc1ccccn1	207243646	XVOYOFJPLVBRLA-UYRXBGFRSA-N	401.441	4.962	50	20	HJGD	
C[C@@H](NC(=S)NNC(=O)CCCc1ccccc1)c1ccc(Cl)cc1Cl	727173247	SBAFPDJFMDNEGN-CYBMUJFWSA-N	410.370	4.573	50	20	HJGD	
Cc1ccccc1-c1cc(NC(=O)CCCC[C@H]2CCSS2)n(CCO)n1	727384469	QONIBGZMKMOPTB-INIZCTEOSA-N	405.589	4.503	50	20	HJGD	
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCCC[C@@H]2CCSS2)c(C)c1	728524580	QNARZQWFQSNZKE-AEFFLSMTSA-N	424.657	4.858	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H](Sc1cc(F)ccc1F)c1ccccc1	730205239	GFPCOMUOKXYCEW-IBGZPJMESA-N	415.421	4.850	50	20	HJGD	
CC[C@@H](C(=O)NNC(=S)Nc1ccccc1Oc1ccccc1)c1ccccc1	731941091	MXMJFAGUWNCFQZ-LJQANCHMSA-N	405.523	4.990	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(COc3ccc(F)cc3)o2)ccc1Br	734251517	SOSRRDYGBULFJI-UHFFFAOYSA-N	419.250	4.826	50	20	HJGD	
C[C@@H](NC(=S)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1cccs1	741870715	ZPHDZIWFBANUDQ-SSDOTTSWSA-N	423.778	4.970	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)COCC(F)(F)F)c(C)n1C1CCCCC1	742409285	AXKMKSQHEXZIOG-YFEUJDIGSA-N	411.468	4.601	50	20	HJGD	
CC/C(=C\C(=O)NNC(=S)Nc1cccc(Br)c1)c1ccc(C)cc1	743820320	CANSYXAWDXCDPV-SDNWHVSQSA-N	418.360	4.569	50	20	HJGD	
CN(C[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1)C(=O)OC(C)(C)C	744341170	DPKGBVWZAXVDIA-IAGOWNOFSA-N	416.653	4.806	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNc2ccc(Cl)cc2Cl)c1C	748018859	QDVWCIJXEBHSAD-TUTDSIAXSA-N	421.328	4.669	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccc(Oc2ccccc2)nc1	748213324	HAEWAISVZGIDBD-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	748561653	YBYGKHXSRCNVPP-LJQANCHMSA-N	401.482	4.623	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	748784403	GWROPWPYLNPRSP-JCMHNJIXSA-N	424.456	4.580	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1C	753262211	MUMHVVCRICHCMT-CPNJWEJPSA-N	419.447	4.792	50	20	HJGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)c1	756783740	LSOSQRZJWKENID-LCYFTJDESA-N	414.799	4.739	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cc(C)ccc2F)cc1	760137034	NWASCOOMCUDPQL-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)C3CCCCC3)cc2OC)o1	767713880	MVYODTWSCCTSHF-LDADJPATSA-N	423.465	4.710	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NNc1nc2ccccc2[nH]1	768503911	FKMXYRVBIDQNNL-UHFFFAOYSA-N	416.268	4.601	50	20	HJGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	769976506	OLCOFEVKDBMDSC-UHFFFAOYSA-N	404.873	4.690	50	20	HJGD	
O=C(NN=Cc1ccc(SCc2ccccc2)cc1)c1nnc(-c2ccccc2)o1	771876560	AJCBLSATDMVUGA-UHFFFAOYSA-N	414.490	4.793	50	20	HJGD	
CC(C)[C@H]1C[C@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO1	778055321	PTXAUSUWCYZWHH-BXUZGUMPSA-N	409.442	4.826	50	20	HJGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1	781790456	ZMIUGDQBOANWTI-ZHACJKMWSA-N	406.895	4.664	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1cccc([N+](=O)[O-])c1C	782019988	XUJOBGDKLHGOBY-UHFFFAOYSA-N	421.240	4.930	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(C3CC3)no2)c(C)n1-c1ccc(F)cc1	782353212	ZBZRCYOOFOLGDN-CLXYIWAZSA-N	420.444	4.705	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1c[nH]cc1-c1ccccc1F	787390795	NQBBHAQXSKBUNC-UHFFFAOYSA-N	410.193	4.618	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1cnc2ccccc2n1	790228643	WPLNMMYSLOCRJK-RGEXLXHISA-N	400.445	4.942	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(F)F)cc2F)c1C	801073954	HXDQXLLBTCTILD-KHAFMBKQSA-N	421.419	4.599	50	20	HJGD	
Cc1cc(Br)c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl	804270410	WFKQFLCWPGSSIL-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	804465129	DVXONLCKOUOCHC-MTJSOVHGSA-N	409.530	4.502	50	20	HJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1c(F)cc(F)cc1Br	805185722	NSILPTYDPLHVCK-LLVKDONJSA-N	420.257	4.597	50	20	HJGD	
CCC[C@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1cccc(C(F)(F)F)c1	806687505	MIKYSRUERNEVLC-SFHVURJKSA-N	418.419	4.714	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cc(C(F)(F)F)ccc1Br	811633604	QIRCYDFOXYKEAJ-UHFFFAOYSA-N	424.220	4.642	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)cc1C	812720873	FGXZKBLDNKAZGI-UHFFFAOYSA-N	422.481	4.505	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C1(Cc2ccc(F)cc2)CCOCC1	815903981	NVCUVPLEUBWZLN-UHFFFAOYSA-N	415.267	4.754	50	20	HJGD	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNc1cccc(Cl)n1	817004478	DNBFOBBTLHINLH-UHFFFAOYSA-N	421.309	4.768	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2OC(F)F)c1C	833413166	AKWQTQJUGCGYAC-UNOMPAQXSA-N	401.457	4.730	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NNc2ccccc2C(F)(F)F)c1C	912638493	JQBOQIDAELHKFP-SFQUDFHCSA-N	404.436	4.974	50	20	HJGD	
O=C(CSc1ncnc2scc(-c3ccccc3)c12)NNc1ccc(F)cc1	912710039	HLTHDJDNTSLETR-UHFFFAOYSA-N	410.499	4.733	50	20	HJGD	
C[C@@H](CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)CN1CCCC1	916677110	QXMVLEWAHNGQJM-SWLSCSKDSA-N	409.905	4.759	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC(c2nc3ccccc3s2)CC1	917853638	ZEGRUHKDBYVLCV-UHFFFAOYSA-N	420.987	4.646	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCCO2)C(=O)c1ccccc1F	921265731	RBTMQFCQSHUUPT-MDWZMJQESA-N	402.219	4.539	50	20	HJGD	
CCN1CCC[C@@H](CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	1251664914	SNWPXWUAJXMTRB-WFASDCNBSA-N	409.905	4.759	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(C)n(Cc3ccco3)c2C)ccc1Br	1324280837	LVJZRQMIJJDBOA-UHFFFAOYSA-N	402.292	4.574	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1	1787594850	XCBAXQAMXVRHHO-UHFFFAOYSA-N	415.921	4.565	50	20	HJGD	
CNc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)cc1	1787994529	HVBDLILSUQNVSK-UHFFFAOYSA-N	413.949	4.741	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1	1790494512	CGUKNVDHFZLHOX-HXUWFJFHSA-N	423.384	4.937	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1	1827072400	KHIOSNFINYXIIC-CSHXORCISA-N	423.022	4.646	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	5131211	NIVRLFBCBRNAAB-DTQAZKPQSA-N	403.394	4.799	50	20	HJGD	
CC(C)Oc1ccccc1C=NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1	254799551	YCTKRXPPIJNCCI-UHFFFAOYSA-N	413.477	4.542	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4ccc(F)c(F)c4F)cc3)o2)c1	727760013	QBHVFDLOFGHTIO-UHFFFAOYSA-N	424.382	4.886	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1sccc1-c1ccc(F)cc1	727791744	UAUVJRCGHVAWPS-UHFFFAOYSA-N	409.269	4.936	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)c2cccnc2)c(C)n1CC(C)C	728493741	ZXOHMXJQKPSDCT-TZPPZLRXSA-N	412.537	4.969	50	20	HJGD	
Cc1cc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)c(C)n1Cc1ccco1	730571130	SNHSDJRZBDNZAK-UHFFFAOYSA-N	418.522	4.563	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C(=O)O)c1)C(=O)Nc1ccc(F)cc1	731563869	XARCLRRSKMRZIX-PDGQHHTCSA-N	416.408	4.649	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccncc1)C1CCCCC1	732716788	ZQKOGZNCJRYWAG-SILNSSARSA-N	411.509	4.632	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1c(C)nn(CCCl)c1C	733932861	OILFWSVHZKKZCW-LBPRGKRZSA-N	420.941	4.801	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCC(C)(C)Cc2ccccc2)c(C)n1C[C@H]1CCCO1	735262971	IEGZOLOQUQJHCE-JXCKLXDISA-N	419.569	4.576	50	20	HJGD	
COC(=O)c1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1Cl	735753712	YQHLDAUHVYRBQB-UHFFFAOYSA-N	409.873	4.870	50	20	HJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	741471363	ZLBMVORVGZVHPD-WUFUFFIZSA-N	401.098	4.829	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1	741712776	DKVGENRDULWAKT-JXAWBTAJSA-N	400.438	4.522	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](CN(C)CC3CC3)C2)c(C)n1C1CCCCC1	746347281	ZKXVHBWJTARRRO-SGCYSOCQSA-N	422.617	4.707	50	20	HJGD	
Cc1ccccc1NNC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	747355179	VADJFBOZNQQBIK-UHFFFAOYSA-N	417.553	4.585	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)Cc1csc(-c2cccc(Br)c2)n1	748560700	BPUSGDPNDIXSBD-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1cccc(-c2ncco2)c1	752758035	OVZCFSRKLVUCJB-UHFFFAOYSA-N	401.264	4.815	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(-c2ccccc2)nn1)c1ccccc1C(F)(F)F	754471770	MAJDZGDAMFPQTP-CQSZACIVSA-N	400.404	4.799	50	20	HJGD	
CC[C@@H](C)c1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1	755806525	FYISTMYURHOSRN-CYBMUJFWSA-N	415.419	4.828	50	20	HJGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	757383362	NUFKREZYCURLMS-UHFFFAOYSA-N	408.329	4.835	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1F	766259991	MMOILHPTYIVCBW-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	768711838	HHOHRRKZCULMJA-UHFFFAOYSA-N	424.247	4.681	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N(Cc1ccncc1)C1CC1	773468052	LZYIWFIFLBJAEP-UHFFFAOYSA-N	421.391	4.869	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1csc(-c2ccc(Cl)s2)n1	775256687	HYSITWOLKRMDOK-UHFFFAOYSA-N	404.826	4.696	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cccc(NC(=O)C2CCCCC2)c1	775660971	BNGPAKGVOYBAGP-UHFFFAOYSA-N	421.423	4.768	50	20	HJGD	
O=S(=O)(N[C@H](CO)C1CCCCC1)c1cccc(S(F)(F)(F)(F)F)c1	777984028	RCUMJEHJRQVFHX-CQSZACIVSA-N	409.442	4.564	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H]1CC=C(c2ccc(F)cc2)CC1	778674803	ATLIQSDFVDXXSB-HXUWFJFHSA-N	403.457	4.559	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)cc1	779192887	CPANEIQDPYDLPR-UHFFFAOYSA-N	414.303	4.622	50	20	HJGD	
CC(C)(C)c1noc(-c2ccccc2C(=O)NNc2ccccc2OC(F)(F)F)n1	779209003	JEFOXGOOVJPAHP-UHFFFAOYSA-N	420.391	4.690	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cccc(Br)c3Cl)c(C)cc2c1	780742011	RYOCRBQZCLBHQH-UHFFFAOYSA-N	420.694	4.725	50	20	HJGD	
C[C@H](OC(=O)[C@@H](Br)C(C)(C)C)c1nnc(-c2cccc(Cl)c2)o1	784734063	YYVFIWUWBYIWGX-JOYOIKCWSA-N	401.688	4.804	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	785202274	SAWIUZAANIXYCV-UMLLEKMUSA-N	408.317	4.758	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)ccc1Cl	788606359	GDNVTWIRLNUAHV-UHFFFAOYSA-N	420.256	4.733	50	20	HJGD	
COc1cc(NNC(=O)c2c(-n3cccc3)sc3c2CCSC3)ccc1Cl	790178101	UYSJWIAHRZMCGV-UHFFFAOYSA-N	419.959	4.747	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(CNC(=O)C2CCCC2)cc1	791731018	JNTYZETVHCSZIG-UHFFFAOYSA-N	406.313	4.557	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c(C)cc1Cl	795102922	HWZRVPYACJFPIY-UHFFFAOYSA-N	421.810	4.585	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1nc2ccccc2[nH]1	798113614	NFRQHUGYBVMGQA-UHFFFAOYSA-N	402.241	4.590	50	20	HJGD	
Cc1nccnc1N1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	799412429	ZZYVDWGYPSUQJN-UHFFFAOYSA-N	423.411	4.797	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ncnn2C(C)(C)C)c(C)n1C1CCCCC1	801210585	PLTDBYWFBMLSNT-XDHOZWIPSA-N	409.534	4.607	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1cccc(OCc2cccc(Cl)c2)c1	805471432	JKIKYOMTUDUINZ-UHFFFAOYSA-N	408.889	4.733	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1nccnc1C1CCC1)c(C)n2C1CCCC1	805471464	KGHPMERGFBQJPL-UHFFFAOYSA-N	419.529	4.888	50	20	HJGD	
CC(=O)c1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cs1	815706100	QETXLOSEAFTKGE-UHFFFAOYSA-N	408.104	4.777	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc3ccccc23)c1C	914478324	HPKKUIZMISCOPH-QRAWFLTRSA-N	401.510	4.689	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)ccc1OCc1c(F)cccc1Cl	916138062	HWPBIEDHBIWORM-OVCLIPMQSA-N	422.847	4.624	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cccc(Br)c1	916348637	CBZMNSPVQVTCJP-UHFFFAOYSA-N	400.301	4.645	50	20	HJGD	
CC[C@@H](C)c1ccc([C@@H](NC(=O)NNC(=O)CC(F)(F)F)c2cccs2)cc1	918059771	MHOJYRLHQAAAMQ-SJKOYZFVSA-N	413.465	4.634	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])C1(c2ccc(Br)cc2)CCC1	918595390	PNRCSQDUBSZDPT-UHFFFAOYSA-N	424.682	4.576	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1	918680035	HJJHRBQJHLARQM-OAHLLOKOSA-N	417.600	4.536	50	20	HJGD	
O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)c1nnc(-c2ccccc2)o1	920381023	GZBFKERGDUKJSC-UHFFFAOYSA-N	407.433	4.649	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCCOC(c2ccccc2)c2ccccc2)c1	922877000	AFDGJZUPSWWIKN-QJOMJCCJSA-N	413.473	4.952	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2c(Cl)cccc2OCc2cccc(OC)c2)cc1	1115862224	JWCYDQZTOUCBFR-UHFFFAOYSA-N	424.884	4.700	50	20	HJGD	
Cc1nnc(SCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)o1	1317712998	HBQVVAFRXVBOAU-UHFFFAOYSA-N	420.416	4.556	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1ccc(CSc2ccccc2)cc1	1319627297	QRNKBTDQLOEHNC-UHFFFAOYSA-N	414.328	4.893	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccc(SC(F)(F)F)cc1	1320112111	GMTICURGJGWJPZ-UHFFFAOYSA-N	421.400	4.624	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)c1C	1337490139	ZJSQVSRCIMOUPA-YRUATGHUSA-N	407.562	4.783	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccsc3)CCC2)cc1	1786444042	PICUNJPGWJBKMU-GOSISDBHSA-N	404.963	4.832	50	20	HJGD	
COc1ccccc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1	1790229678	NLGKMYGJGILEQI-UHFFFAOYSA-N	414.933	4.708	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1	1828346709	XLAHTVWTJURGGU-ACRUOGEOSA-N	409.014	4.760	50	20	HJGD	
CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@](C)(Cl)CCl)CC1	1830257243	KZSKSUMQAZCFHP-RXVVDRJESA-N	417.421	4.589	50	20	HJGD	
O=C(c1ccco1)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124515	YVFMLYAAWUOLFJ-UHFFFAOYSA-N	408.970	4.846	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	6279675	WUJHEVFVTRRFRQ-XMHGGMMESA-N	405.498	4.588	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3cccc(C(F)(F)F)c3)cc(C3CC3)nc21	98071183	BPZKYETWSSHULT-UHFFFAOYSA-N	403.408	4.665	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)NNc2ccc(OC(F)F)cc2)ccc1OCC(C)C	726706342	IDTRERWTVSCDMR-CQSZACIVSA-N	423.460	4.719	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)c1c[nH]c2cc(F)ccc12	728439753	FHKCXCUCKSUHEI-WLRTZDKTSA-N	417.421	4.949	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cc(-c2ccccc2)nc2cc(F)ccc12	730288280	DBUVICZPOWSUSI-UHFFFAOYSA-N	408.436	4.768	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	730516967	GHCZXNACUYLHRE-QWHCGFSZSA-N	418.107	4.865	50	20	HJGD	
COc1cccc([C@H](C)C(=O)NNc2ccc(Br)cc2C(F)(F)F)c1	731477550	JLHJATAFAKCCSG-JTQLQIEISA-N	417.225	4.723	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1ccccc1	731997729	SZNNRRXEOJTKHL-RVPSJEOCSA-N	408.498	4.769	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@]2(C)CCOC2)c(C)n1-c1cccc2ccccc12	733116064	YHQJSOFJHMBHGZ-QRXKEHANSA-N	413.521	4.697	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2ccc(Br)c(C)c2)s1	734252813	APHMTSZCCDYDHF-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
Cc1cc(NNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)ccc1Br	734254681	DSPZVFOKUGVXOF-AWEZNQCLSA-N	401.226	4.937	50	20	HJGD	
CC[C@H](CC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccc(C)cc1	737543443	CJQCEHAFHANZTH-CYBMUJFWSA-N	423.738	4.756	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(-c3nc4ccccc4s3)s2)n1	747982257	XQCTYCUCZVDBLD-UHFFFAOYSA-N	401.904	4.534	50	20	HJGD	
O=C(NNc1ccccc1)c1cccnc1SCc1cccc(Br)c1	747989355	VUIOVTVEEYLEHI-UHFFFAOYSA-N	414.328	4.893	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2ccc(Br)cc2F)cc1OC	748199992	DHBJNZXRSATVGH-UHFFFAOYSA-N	411.271	4.533	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)n1	748336795	XNBQVODSWUHCJB-UHFFFAOYSA-N	423.835	4.656	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(C2CC2)nc2ccccc12	748703840	UUTFDAXRULHQLM-UHFFFAOYSA-N	401.388	4.810	50	20	HJGD	
Cc1nc(CCC(=O)NNc2cc(C(F)(F)F)ccc2F)oc1-c1ccccc1	754142292	DSOWHWGEBOQSNI-UHFFFAOYSA-N	407.367	4.884	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)c2cccc3ccccc23)cc1	755754934	CKQVXXDIQORVAC-DEOSSOPVSA-N	420.472	4.962	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cccc2[nH]c(-c3cccs3)nc12	759975524	IWUQFMSDJQGGOC-UHFFFAOYSA-N	413.300	4.811	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1	760134330	WVXCSQCZDXOICS-UHFFFAOYSA-N	405.882	4.888	50	20	HJGD	
CC[C@@H](NNC(=O)c1ccc(Br)s1)c1ccc(Br)cc1	760462101	KRJVXXJJYCHLKK-LLVKDONJSA-N	418.154	4.659	50	20	HJGD	
O=C(NCc1nnc(S)n1C1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	762976455	SSGPTWSDPZXXBI-UHFFFAOYSA-N	415.413	4.881	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N(CCc1ccccn1)Cc1ccc(F)cc1	767948115	LGTOIFFYEKDKQV-GOSISDBHSA-N	407.327	4.602	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(NC(=O)NNc2ccc(F)cc2Br)cc1	769952503	VKZIGCKZERGZJV-UHFFFAOYSA-N	423.286	4.721	50	20	HJGD	
Cc1cccc(NNC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)c1	770967074	YWOFOZZLDZFYTE-UHFFFAOYSA-N	403.511	4.530	50	20	HJGD	
C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)CCCC[C@H]1CCSS1	772756800	RCUNAWFAHFEDPH-MJGOQNOKSA-N	415.628	4.986	50	20	HJGD	
O=C(COC(c1ccccc1)c1ccccc1)NNc1ncc(Cl)cc1Cl	775275675	MPKQSCXWISFYKY-UHFFFAOYSA-N	402.281	4.638	50	20	HJGD	
COC(=O)Cc1cccc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	777466834	GITOVDQDAZDTOW-QGZVFWFLSA-N	417.836	4.874	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1csc(-c2c(F)cccc2F)n1	779207013	JGKLWZJGQBOXAC-UHFFFAOYSA-N	415.343	4.744	50	20	HJGD	
CN(C)Cc1ccnc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782933854	MKITVIQIBQLESV-UHFFFAOYSA-N	417.425	4.601	50	20	HJGD	
CCc1cnccc1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782984830	UJUWNWSZURMVJB-UHFFFAOYSA-N	402.410	4.780	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1	784804445	KYFBHXCIYHYBPM-UHFFFAOYSA-N	408.502	4.505	50	20	HJGD	
CC(C)N(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1	790102089	XTXHZNZZOVSQLN-GDNBJRDFSA-N	402.470	4.787	50	20	HJGD	
Cc1ccc(-c2noc(CCC(=O)NNc3cc(Cl)cc(Cl)c3)n2)cc1F	791719279	VAMVUJDICSNPAK-UHFFFAOYSA-N	409.248	4.567	50	20	HJGD	
CC(=O)Nc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)c1	791723708	ZAVARWFYLFLIIT-UHFFFAOYSA-N	406.191	4.728	50	20	HJGD	
N#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3ccc(C(F)F)cc3)cc2)cc1	794471085	CSTDGZHPLCXWOF-UHFFFAOYSA-N	405.404	4.692	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799705040	BZFZPGSRJHZKGZ-UHFFFAOYSA-N	401.394	4.781	50	20	HJGD	
Cc1cc(=O)oc2cc(N(C)CCP(=O)(c3ccccc3)c3ccccc3)ccc12	805770271	LPSFVFFFYABDQU-UHFFFAOYSA-N	417.445	4.552	50	20	HJGD	
O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)NNc1ccc(OC(F)F)cc1	807257539	APCGLZNBIYTNQL-UHFFFAOYSA-N	424.860	4.891	50	20	HJGD	
Cc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2)sc2ccc(Br)cc12	815849675	JHLFKTVQHOFPSO-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)c1C	819014824	RHNRRKAMXMTSKF-RCCKNPSSSA-N	418.541	4.966	50	20	HJGD	
COc1cccc2cc(/C=C(\C#N)c3nc(O)c4cc(Br)ccc4n3)oc12	914599518	HAHFKVAPYZRPAI-XYOKQWHBSA-N	422.238	4.917	50	20	HJGD	
Cc1nn(-c2ccc(C(=O)NNc3cccc(Cl)c3)cc2)c(C)c1Br	914755095	CZBRNIACOJPMSP-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
CCOc1ccc(-c2nc(C(=O)NNc3ccccc3C(F)(F)F)cs2)cc1	914755766	WPQRCWNBEWTQDC-UHFFFAOYSA-N	407.417	4.985	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1cccc(Br)c1	916294810	HTIIIXPPTOLESJ-UHFFFAOYSA-N	409.283	4.645	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)CCc3ccc(F)cc3)s2)cc1	917544434	GABLIAOZJJNTQJ-UHFFFAOYSA-N	411.502	4.884	50	20	HJGD	
O=C(NCC1(c2ccc(F)cc2)CCOCC1)NNc1ccc(Cl)cc1Cl	919917795	DLWFLYUXQFPDEJ-UHFFFAOYSA-N	412.292	4.507	50	20	HJGD	
Nc1cc(C(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc([N+](=O)[O-])c1	1248411446	YVBJEALZVFLLLK-UHFFFAOYSA-N	419.224	4.508	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)cc1	1319911630	OYZVWDJZQYLEPC-OJNRTJSBSA-N	404.388	4.610	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	1797868928	HIQVLIAQSRUMFO-XLXGLBAESA-N	409.014	4.639	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)s2)CC1	1825346594	BKIZLXYFIBYFQI-HZPDHXFCSA-N	414.974	4.528	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)s2)CC1	1825784886	BETQDSIPZPHBBR-QZTJIDSGSA-N	411.011	4.697	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1OCCCC#N	195746930	HNZOJIZYDFYIRT-YBEGLDIGSA-N	403.413	4.788	50	20	HJGD	
O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccco1	254700278	MZGVCHJAWWZYDH-UHFFFAOYSA-N	416.355	4.523	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1	725726271	SSNHPRAINLOVQH-FCEBOWQDSA-N	400.400	4.683	50	20	HJGD	
Cc1c([C@H](C)NC(=O)NNC(=O)c2c(Cl)cccc2Cl)oc2ccccc12	727841960	LHQLZZNAWJMTCG-NSHDSACASA-N	406.269	4.753	50	20	HJGD	
CCCCCC/C(C=NNC(=O)C1CCN(c2ncccn2)CC1)=C\c1ccccc1	728783212	DNWSEICTSZUAQO-ISNJHWMXSA-N	419.573	4.849	50	20	HJGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1	731904982	SXDYRANBTFQGPB-MRXNPFEDSA-N	423.538	4.683	50	20	HJGD	
O=C(NN=C1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccc(O)c(Cl)c1	734094353	MKBCLPSSWAGNFR-UHFFFAOYSA-N	415.877	4.779	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCc2ccc(F)cc2)c(C)n1C[C@H]1CCCO1	735604888	NMUHPOYEKRFJCM-LJJBLSSYSA-N	410.489	4.506	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccncc1	741586145	OPHUMBZEUIQOQY-HVUZKSCUSA-N	414.509	4.672	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c(C)n1C1CCCCC1	741644803	GWKDWLXWNCEROJ-HLHLGPMQSA-N	409.574	4.837	50	20	HJGD	
COc1ccc(NNC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1	746883334	OJNVTEBPYHSLIM-UHFFFAOYSA-N	415.902	4.728	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(=O)n(Cc2ccccc2Cl)c1	748007866	HEJJVIQKJVCRKJ-UHFFFAOYSA-N	422.699	4.614	50	20	HJGD	
Cc1c(NNC(=O)c2cn(Cc3ccccc3)c3ccccc23)cccc1[N+](=O)[O-]	748670651	VKSWHIIJMQGLDN-UHFFFAOYSA-N	400.438	4.663	50	20	HJGD	
O=C(NNC(=O)c1ccccc1SCc1cccs1)c1cc2ccccc2o1	749475048	VMGFHVMJROVNDZ-UHFFFAOYSA-N	408.504	4.861	50	20	HJGD	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=O)CCc2ccccc2)cs1	749747960	UZXOOXWHRHHSNO-UHFFFAOYSA-N	420.538	4.527	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(C#N)c(Cl)c2)nnn1-c1cccc(C(C)C)c1	753312794	GXGFEABJVUTPOU-UHFFFAOYSA-N	422.920	4.625	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1occc1CSc1ccccc1	754469897	JCSRTNHNZIYWHS-UHFFFAOYSA-N	402.479	4.786	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C	754565672	FGMWKHBGXPDHPP-XEZWEYARSA-N	409.505	4.598	50	20	HJGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1	756226714	BOBFJVJKZBIHKG-UHFFFAOYSA-N	411.355	4.590	50	20	HJGD	
CC(C)[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	762671271	NGSDZZRMCBRYKV-OCCSQVGLSA-N	416.412	4.602	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc(Sc2ccccn2)o1	766432804	BSTMHCHLVGMRAH-UHFFFAOYSA-N	420.519	4.642	50	20	HJGD	
CC(C)(C)C(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	770036386	OUFIDZVRSVVRAR-UHFFFAOYSA-N	417.375	4.559	50	20	HJGD	
Cc1noc(C)c1CSc1ncccc1C(=O)NNc1c(F)cccc1Cl	770197647	YNVFJYZPPZXOPZ-UHFFFAOYSA-N	406.870	4.528	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c(Cl)c1	775772591	TZCKPAOSFJWEGI-HNNXBMFYSA-N	423.300	4.551	50	20	HJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])s1	775794342	PXBQFGSHRUDHRQ-UHFFFAOYSA-N	402.863	4.745	50	20	HJGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)c1nc(O)c2cc(Br)ccc2n1	776720651	RNBKTNMAJAARIR-XCVCLJGOSA-N	404.626	4.955	50	20	HJGD	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NNc3ccc4ccccc4n3)c12	777463538	URZMDSFHACJUFX-UHFFFAOYSA-N	413.412	4.642	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12	780950030	AFDTWDFYPANDFD-UHFFFAOYSA-N	419.431	4.595	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1cccc(COCc2ccccc2)c1	785253366	LYUWVMORLOYINR-OEAKJJBVSA-N	400.453	4.766	50	20	HJGD	
CC(C)n1ncc2cc(/C=C(\C#N)C(=O)NCc3cccc(Cl)c3)c(Cl)nc21	786045216	ZDMPPBZJHIOUAW-VIZOYTHASA-N	414.296	4.542	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OC(F)F)cc1	787182438	HRNQKQUGKJXKHU-CDCQXCROSA-N	406.816	4.734	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)ccc1Cl	790181466	VPECAEHQTJXAPZ-UHFFFAOYSA-N	416.886	4.605	50	20	HJGD	
N#C/C(=C/c1cc(Br)c(Cl)s1)C(=O)N(CC(F)(F)F)C1CC1	790219851	OVNQQVIZAKEWRQ-CLTKARDFSA-N	413.646	4.624	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCOCC(F)(F)C(F)(F)F	792524377	AJPBJRHRRMKZLU-UHFFFAOYSA-N	410.408	4.927	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccc(Br)cn1	793412779	KFLOANVNJVAMKJ-SSDOTTSWSA-N	422.085	4.677	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3ccc(F)cc32)c(C)n1C[C@@H]1CCCO1	794055503	IUNCSCZJIUDASH-RMMTWQCYSA-N	421.516	4.524	50	20	HJGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1	794938402	PEDHZGFAMQYWSP-OVCLIPMQSA-N	424.806	4.897	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(F)cc1Br)c1ccc(C(F)(F)F)cc1	798981333	HKNQRSBSEIIWLB-SECBINFHSA-N	405.189	4.854	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccccc1Sc1ccccc1C#N	805377580	FAQQFNFNQUEUII-UHFFFAOYSA-N	404.451	4.683	50	20	HJGD	
Cc1cccc2c1[C@H](OC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]3CCCO3)c1C)CCO2	814031874	AMVCXXFCLUDDDH-OHTJAAIASA-N	420.509	4.566	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C(C)(C)c1csc(-c2cccs2)n1	816486186	RWGCBVKWBDEPPI-UHFFFAOYSA-N	421.979	4.859	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1C	913020455	XROMHDBJYNMBJF-YJADQXIJSA-N	409.505	4.551	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1C	913434383	NJURRKOJYGPYOF-ZDUSSCGKSA-N	406.555	4.541	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c1C	914486732	ATUDOXNKXDWNNI-TXSSHTDISA-N	423.557	4.884	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CC2CCCCC2)C2CC2)c(C)n1C[C@H]1CCCO1	917802328	GAVCVFHXRIQMGC-MGSPXPDISA-N	409.574	4.762	50	20	HJGD	
O=C(NCc1ccc(COCC(F)(F)F)cc1)NNc1ccccc1C(F)(F)F	918199909	SUTAORUWDOZWAO-UHFFFAOYSA-N	421.341	4.611	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1CCN2CCCC[C@H]12	918215315	BWWOZEQVFPFVIO-LNSITVRQSA-N	407.889	4.654	50	20	HJGD	
CCOc1c(Cl)cc(CNC(=O)NNc2ccccc2C(F)(F)F)cc1OC	918234150	CEWBBFCTSSVSSV-UHFFFAOYSA-N	417.815	4.592	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OC[C@H]2CCOC2)c(C)n1-c1cccc(C(F)(F)F)c1	918946816	YGAVMWDDXBFHJR-RSFAQHHSSA-N	418.415	4.600	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)c3nc4ccccc4n3C)cs2)cc1	920064549	FKHWUESEMWCJRG-RVDMUPIBSA-N	402.479	4.682	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)nc3C)cc2)CCC1	1789915933	WNTKFCKXRDCKLH-SFHVURJKSA-N	417.912	4.684	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3F)CCC2)cc1	1790489497	DUNQVRVAQVAVJA-INIZCTEOSA-N	406.860	4.730	50	20	HJGD	
CC[C@@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)CCl)C2)c1ccccc1	1795567445	JTIMJRSEXWQQOG-QNDFHXLGSA-N	419.009	4.720	50	20	HJGD	
O=C(NNc1ccccc1)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F	146172145	PNHUKRVQNOYVLC-UHFFFAOYSA-N	404.348	4.699	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c3cccnc3)c2C)cc1	303561265	IEVMOGSDWWOQFZ-LZAZYHHXSA-N	401.466	4.709	50	20	HJGD	
CCc1cccc(CC)c1Nc1nc(Cl)c(C=NNC(=O)c2ccc[nH]2)s1	725854908	PMPOPBZJCQQPRD-UHFFFAOYSA-N	401.923	4.757	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(Cl)c1	727842465	XBXYRXSKQAATES-CQSZACIVSA-N	400.693	4.742	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccccc1OCc1ccccc1Cl	728081500	ZUOMHZNAEATNTO-UHFFFAOYSA-N	420.856	4.726	50	20	HJGD	
C[C@@H](NC(=O)NNc1cccc(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1	728752233	DHBNFZFFUQFYEW-MRXNPFEDSA-N	404.445	4.664	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NNc1cncc(Cl)n1	730139257	KIXPAFWTIGOBBX-JTQLQIEISA-N	423.329	4.603	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc2ncccc12	730147264	RCCZBUWHLNKIOU-UHFFFAOYSA-N	402.435	4.635	50	20	HJGD	
Cc1cn(-c2ccccc2)nc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	730202066	ZOXXOVVYMYBDPM-CIAFOILYSA-N	401.514	4.801	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)c1sc2cc(Cl)ccc2c1Cl	730225327	AMWBNXBGQSEJHS-UHFFFAOYSA-N	416.289	4.831	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(OCc2occc2C(=O)O)cc1	730952589	ZRCITPVKHTYFFJ-LDADJPATSA-N	416.433	4.719	50	20	HJGD	
Cc1cc(NNC(=O)Cc2csc(-c3ccccc3)n2)ccc1Br	734252734	FEFAIFDNMOYWFA-UHFFFAOYSA-N	402.317	4.567	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)c2ccccc2)c1C	735438552	GYONVCHFCPVJSK-YLRSXTQRSA-N	419.447	4.815	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C)c1ccccc1	740761707	HRKQVOOTQRJSQA-NRFANRHFSA-N	408.933	4.846	50	20	HJGD	
CN(C)c1ccc(NC(=O)NN=Cc2ccc(-c3nc4ccccc4s3)o2)cc1	741765382	YDUVLCYNIRSJEQ-UHFFFAOYSA-N	405.483	4.778	50	20	HJGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1c(F)cc(F)cc1Br	742709030	UIGIPYIISMKJCB-JTQLQIEISA-N	401.226	4.578	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@H](C)C#N)c(C)n1-c1cccc(C(F)(F)F)c1	743876749	DSZXGHWDYAUTDW-UHPUNMKFSA-N	414.431	4.638	50	20	HJGD	
O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)NNc1ccccc1	745871880	UPGVWPXYXZPVIK-UHFFFAOYSA-N	402.376	4.719	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc(OC)c1O	747033065	NHYDRUAMBQITKN-CXUHLZMHSA-N	412.873	4.645	50	20	HJGD	
O=C(/C=C/c1ccccc1OC(F)(F)F)NNc1ccccc1Br	748059870	GAALRFZIXFNNON-MDZDMXLPSA-N	401.182	4.504	50	20	HJGD	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNc3cccnc3Cl)cc12	754477959	PSWCZDPJRZSQAN-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
O=C(NN=Cc1ccc(F)c(C(F)(F)F)c1)c1cc(F)ccc1Br	755698683	LVYMLILBXGIQJP-UHFFFAOYSA-N	407.136	4.510	50	20	HJGD	
C[C@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccc([S@@](C)=O)cc1	756738601	MFOPDXUFTNRGHG-OLUQVHSISA-N	420.749	4.772	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	758715416	QYDQEAWQKNTUSS-RHSMWYFYSA-N	415.362	4.530	50	20	HJGD	
O=S(=O)(N[C@H]1CCO[C@H](C2CC2)C1)c1ccc(S(F)(F)(F)(F)F)cc1	765176568	PLWXQKPCZPMWPT-FZMZJTMJSA-N	407.426	4.580	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)cc(Br)c1F	768090098	IOWONKQEUXFWTD-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
CS(=O)(=O)Nc1cccc(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	770513233	CIUXPWHUGNTFJS-OAHLLOKOSA-N	424.897	4.890	50	20	HJGD	
Cn1cnc(-c2cccc(NC(=O)NNc3c(Cl)cc(Cl)cc3Cl)c2)n1	771794834	YECZCOQYCZGVAN-UHFFFAOYSA-N	411.680	4.591	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc(Br)c1OC	772172566	VADHSVPJOQTXRF-VGOFMYFVSA-N	404.235	4.785	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1oc2ccccc2c1COc1ccccc1	772829692	DYNROPODNWVSAQ-UHFFFAOYSA-N	402.454	4.682	50	20	HJGD	
Cc1cc(-c2cc(C(=O)N3CC=C(C#N)CC3)c3cnn(C(C)C)c3n2)c(C)s1	780687603	FUBBECSBZQIBRY-UHFFFAOYSA-N	405.527	4.653	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)cc1	782451334	PRCJCFPWJZHASA-POEBIKTISA-N	420.509	4.816	50	20	HJGD	
O=C(Nc1ccc(Cl)c2cccnc12)C(=O)NN(c1ccccc1)c1ccccc1	782821497	PCTVLQSZZFSRIU-UHFFFAOYSA-N	416.868	4.696	50	20	HJGD	
Cc1noc(C)c1COc1ccc(CC(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791714577	KLVKZZQOFOPUJN-UHFFFAOYSA-N	420.296	4.863	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	794703485	SLBIVRMGUOXHCZ-WQLSENKSSA-N	401.228	4.812	50	20	HJGD	
CSc1ccccc1[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	799405277	QCPVADOGVOLHEF-KUTDZNSHSA-N	423.582	4.790	50	20	HJGD	
CCCN(NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)C(=O)OC(C)(C)C	804593167	WGDCDRMFWCBETA-UHFFFAOYSA-N	411.502	4.539	50	20	HJGD	
CC[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H](C)S1(=O)=O	806422428	RSWDSFYYMBWMPP-CMPLNLGQSA-N	422.441	4.773	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(OCc3ccccc3)CC2)c1C	843733021	GNUOXTQXSXHYIK-XQNSMLJCSA-N	405.542	4.630	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1C	915672882	VEWSACKWFIDCKW-CXUHLZMHSA-N	410.543	4.672	50	20	HJGD	
O=C(NN=Cc1c(F)cccc1F)c1cn(-c2ccccc2)nc1-c1ccccc1	915905172	AVXONMXINPYEPT-UHFFFAOYSA-N	402.404	4.581	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2cccc(C(F)(F)F)c2)cc(OCC)c1OCC	916289117	ZITIMCMYUWYUCB-UHFFFAOYSA-N	424.419	4.665	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1	916613765	VSABZJAYAYXWAP-PUMYGXPMSA-N	417.490	4.596	50	20	HJGD	
Cc1cc(OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)ccc1Cl	916855291	SKWUUQXENCYYKA-AQTBWJFISA-N	416.868	4.938	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)c(C)n1-c1cccc(Br)c1	918013961	BPAUCLMUYPOVHP-UHFFFAOYSA-N	402.267	4.753	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCN(c3ccccc3)C2)c(C)n1CCC(C)C	918565972	LBUZAUWTNBOPLR-VCOZGABYSA-N	418.585	4.701	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccccc2)n1)c1ccc(Cl)cc1Cl	918711023	BNZIJFONZWTRLK-UHFFFAOYSA-N	406.294	4.793	50	20	HJGD	
CCCCCCNC(=O)/C(C#N)=C\c1csc(COc2ccc(Cl)cc2)n1	918714013	WVAQUQYVJJBTJV-PTNGSMBKSA-N	403.935	4.979	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2OC(F)(F)F)o1	1320513100	ISQYVEYLKGDTNR-UHFFFAOYSA-N	424.762	4.573	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1	1785799404	AMUYGCGFDWSXGH-WMLDXEAASA-N	412.908	4.963	50	20	HJGD	
Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)cc1C	1786661264	KBMRLTURWARUSJ-FQEVSTJZSA-N	402.897	4.514	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2ccccc2)n[nH]1	1823492517	XZFHXCQZUDXSQE-HHXXYDBFSA-N	416.953	4.613	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1C	105285616	NSDGCDKGWWZXTB-DUPVFGOHSA-N	401.894	4.520	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3cnco3)c2)c1C	210095523	CXZNPUMSBGXAGV-UGNSCYDZSA-N	404.470	4.513	50	20	HJGD	
CCN1CCC(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	726275533	RCCNRUBNDPPYBK-HNNXBMFYSA-N	409.905	4.759	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)Cc2ccccc2C)c1C	728183829	UHVOCKRJBILFAS-QNDYCBLQSA-N	407.558	4.665	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C(=O)O)c1)c1ccc([N+](=O)[O-])cc1	731563537	RRVCCKLIVOWVSO-UNOMPAQXSA-N	400.390	4.936	50	20	HJGD	
CCOc1cccc2cc([C@H](C)NC(=O)NNC(=O)c3cccc4ccccc34)oc12	743526953	PMMKQETXWQCULU-HNNXBMFYSA-N	417.465	4.690	50	20	HJGD	
O=C(CCCCNC(=O)OCc1ccccc1)NNc1ccc(Cl)cc1Cl	748018501	DBHTWKGQMRPVQA-UHFFFAOYSA-N	410.301	4.533	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2ccc(OC(F)F)cc2)c(C)n1CCC(C)C	748638104	RFCPCGNLNNBPQJ-LDADJPATSA-N	416.472	4.803	50	20	HJGD	
Cc1c(NNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)cccc1[N+](=O)[O-]	748665692	BOLQUYXSPBKJTF-UHFFFAOYSA-N	421.379	4.610	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3cccc(F)c3)CC2)c1C	752400930	JKENAWXKJDMDNF-QRAWFLTRSA-N	423.532	4.765	50	20	HJGD	
CCCc1c(C(=O)NNc2nc3ccccc3cc2C)cnn1-c1cccc(F)c1	752757187	RPYSBHNDZKDCLU-UHFFFAOYSA-N	403.461	4.577	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)Nc1ccc(SC(F)F)cc1	755324817	PCPHZNWWQWIWLD-UHFFFAOYSA-N	401.438	4.550	50	20	HJGD	
Cc1nc(-c2cccc(NC(=O)NNC(=O)c3cccc4ccccc34)c2)oc1C	756193272	WVRYIFDYHIIGSF-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	757297272	KOEIGEDYDADFFL-GDLVEWKHSA-N	408.873	4.539	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(F)ccc2OC(F)F)c1C	760158208	GBTKXBZWUBLWIL-MJOIQJIUSA-N	421.419	4.599	50	20	HJGD	
COc1cc(Br)ccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	767403289	YSYSOGYOUTVNGI-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OC[C@@H]2CCO[C@@H]2c2ccccc2)c1C	769348896	PJHRZDMAKIVVHL-IPZXIYDWSA-N	422.525	4.540	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCCO2)C(=O)c1cccc(F)c1	772172222	PYDAXUOHZSFPHZ-VGOFMYFVSA-N	402.219	4.539	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	775536081	IYYOQGFVRQWUEM-UHFFFAOYSA-N	415.428	4.775	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(Br)c1OC(F)F	776726312	VVCMBBSHYBPTRL-XFXZXTDPSA-N	423.213	4.605	50	20	HJGD	
Cc1ncc(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)s1	778007854	LKNPFHJFEAQQJT-UHFFFAOYSA-N	408.439	4.630	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)c1	780955971	UKNHRORSDRMCPF-UHFFFAOYSA-N	410.323	4.750	50	20	HJGD	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NNc1ccc(C(F)(F)F)cc1	782752209	MQCQKLXDQYTYOC-UHFFFAOYSA-N	416.425	4.574	50	20	HJGD	
CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782910305	ILDHNASRPPBXNK-UHFFFAOYSA-N	416.393	4.504	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ncc(C(C)C)s2)c(C)n1C[C@H]1CCCO1	783476658	JQKRFPYTIYXMPR-PMEBHBLGSA-N	413.543	4.514	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ncc(C(C)C)s2)c1C	783490972	WYEPWNHRMQDGHC-AOVQIXHVSA-N	401.532	4.543	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1ccc(SC2CCCC2)cc1	784821001	HJBKTUJOBKCMOW-UHFFFAOYSA-N	423.460	4.822	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(-c3nccs3)c2)c1C	790872143	LMZWUXVBOPXYJC-IWEBCOIVSA-N	421.522	4.948	50	20	HJGD	
O=C(NNC(=O)c1ncoc1-c1ccc(F)cc1)Nc1ccc(-c2ccccc2)cc1	802039768	VFTFPBUMOSABGF-UHFFFAOYSA-N	416.412	4.614	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2	803602025	VASHEIGXRFYXNQ-NTEUORMPSA-N	403.429	4.549	50	20	HJGD	
O=C(NNc1ncccc1F)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	804215447	QQDUUGCNOINIDU-UHFFFAOYSA-N	418.837	4.690	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)C1CCN(c2noc3ccc(Cl)cc23)CC1	816163208	GTECIFFMEFMYSJ-UHFFFAOYSA-N	423.275	4.633	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1	857546639	YNPCALRPLISHJO-LLVKDONJSA-N	400.832	4.594	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccnc2)c(C)n1-c1cccc2ccccc12	911602871	VUUYDHZXXUEWFM-OEAKJJBVSA-N	406.489	4.866	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)N[C@@H](c1cccs1)C1CC1	916232485	JFFLZTRPUJLOPE-GOSISDBHSA-N	403.573	4.564	50	20	HJGD	
O=C(Cc1ccc(F)cc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1	916351054	YRNAMDGZTVGCFF-UHFFFAOYSA-N	416.431	4.510	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1C	916466766	DJKSXUIRDVIOAG-POEBIKTISA-N	407.514	4.618	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCCCC#N)c2)c(C)n1CC(C)C	917726744	OHIPAZNFTKYJEG-BKUYFWCQSA-N	404.514	4.989	50	20	HJGD	
O=S(=O)(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccc(CCCl)cc1	917899929	NZUMILPNCNBTIG-NRFANRHFSA-N	403.906	4.675	50	20	HJGD	
CCCN1CC[C@@H](CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	919796731	KESJYMQRQDVTRW-SWLSCSKDSA-N	409.905	4.759	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCc3c(Cl)cccc32)c1C	919873355	OIGGGTZAOJGVTA-ZPYIXXMXSA-N	411.933	4.676	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(C(C)(C)C)nn3)c3ccccc3n2)o1	1318939515	WSZPEGVZCCBELJ-UHFFFAOYSA-N	401.470	4.648	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CCC1	1785755516	GHGXVCSKHZOMOH-QGZVFWFLSA-N	420.340	4.890	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccc2occc2c1	1788584945	MWKKNYYDQFYCLV-SFHVURJKSA-N	400.837	4.715	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3c(C)cc(C)cc3C)CC2)C1	1806163963	SADFCDCVPAEKID-HXUWFJFHSA-N	419.009	4.864	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1	1815319992	TURYMGOIXCAYOZ-BQFCYCMXSA-N	406.958	4.556	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C(C)C)CCC2)[nH]n1	1815323850	DHKQOTJPDGFRMK-DOTOQJQBSA-N	408.974	4.636	50	20	HJGD	
CC(C)C1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)CCC1	1832489441	UPTJFXVMGCEULG-IBGZPJMESA-N	411.030	4.697	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	14150456	OBSCMIXVVCHWRE-DEDYPNTBSA-N	414.417	4.972	50	20	HJGD	
COc1ccc2nc(S[C@@H](C)C(=O)/C(C#N)=C3/Nc4ccccc4S3)[nH]c2c1	102088469	HFHIEZFJEWYTLL-UQGHUHRHSA-N	408.508	4.574	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC(F)(F)F)c2)c1C	105720623	MGIUNMMYSAQFNQ-KDVQLTRESA-N	421.419	4.757	50	20	HJGD	
O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1S[C@H](Cl)C(F)(F)F	219014290	JBCYUYNKNMUXAB-KRWDZBQOSA-N	417.836	4.858	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(COC3CCCC3)cc2)c1C	303748137	BBQGPQVHFQRIOF-JCMHNJIXSA-N	421.541	4.756	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1	725869767	TXKZUEOXMFUQKB-OAHLLOKOSA-N	409.873	4.838	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)c1oc2ccccc2c1COc1ccccc1Cl	728609975	NYMQCOZNASZTMF-UHFFFAOYSA-N	414.889	4.862	50	20	HJGD	
CCSc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CCOC)c2C)cc1	728835663	SCKASKQPSWUZQL-JPOGYNCRSA-N	411.571	4.648	50	20	HJGD	
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCCC[C@H]2CCSS2)cc1	731625740	YOUCLYROGLGPQM-IRXDYDNUSA-N	410.630	4.549	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)/C(=C/c1ccccc1OC)c1ccccc1)c1ccccc1	732000543	JVAFRLMWCVHRAD-SUFVQAABSA-N	414.505	4.577	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H]2CCCc3nc(C)sc32)c1C	733069466	OXDKYCLMLPQFHH-BRLFHKSJSA-N	413.543	4.605	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CSc2ccc(C(C)C)cc2)c1C	734259765	NRHCQRKVFKYVCI-UHFFFAOYSA-N	407.543	4.514	50	20	HJGD	
CCC(=NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12)C1CC1	741162090	SZHXHGUHTUCLBN-UHFFFAOYSA-N	403.482	4.825	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)Nc2ccc(Cl)cc2Cl)cc1	741503935	RQUJIYRSEVOSDC-UHFFFAOYSA-N	413.330	4.804	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(-c2ccc(Br)cc2)s1	743818329	SVTRFBOUUDISON-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)c1	748048150	HHXQLAQQUNBESU-UHFFFAOYSA-N	416.506	4.508	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccnc1SCc1ccc(F)cc1	748654452	RBQSKURWGUVANX-UHFFFAOYSA-N	419.428	4.871	50	20	HJGD	
COCCOc1c(Cl)cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1Cl	752752785	CTQGPTGTNBSVES-MDWZMJQESA-N	409.244	4.703	50	20	HJGD	
CCOC(=O)N1CC[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752975071	CGZSOSWCGMLCBQ-NSHDSACASA-N	403.373	4.696	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NNc3ccc(C#N)c(Cl)c3)c12	753298103	RCISCTPVHIGITG-UHFFFAOYSA-N	422.920	4.654	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)Nc1ccc(Br)cc1Cl	756017425	IVBQOOWPXPWREI-UHFFFAOYSA-N	415.622	4.726	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(COCc2ccccc2)cc1)c1ccccc1	756733179	NMRLRCKHVFXZOW-HSZRJFAPSA-N	417.509	4.750	50	20	HJGD	
COC(=O)c1ccc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)o1	762456172	FXEMAANKQPJSFA-UHFFFAOYSA-N	407.338	4.524	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1N1CCCC1)c1ccc(F)cc1Br	763355320	CJHUEYQBZJEQQR-UHFFFAOYSA-N	424.701	4.606	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(-c2ccc(Cl)s2)on1	771680847	MIYXDCYKHHYEFQ-UHFFFAOYSA-N	416.659	4.715	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3nccnc3C(C)C)c3ccccc3n2)cc1	772832283	XKDQYJHMNJCCDJ-UHFFFAOYSA-N	413.481	4.581	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc(Br)c1O	773155676	WRGWCAVREUVKGM-NYYWCZLTSA-N	410.626	4.746	50	20	HJGD	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)NNc1ccc(Cl)cc1	783336471	PFOJJCCYJJJXGK-INIZCTEOSA-N	423.900	4.870	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2csc(-c3ccc(C)cc3)n2)cc1	787155517	RPZBUEOFBRMABY-PUMYGXPMSA-N	403.507	4.912	50	20	HJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CCC2(CCCO2)CC1	788016292	SGWKYSOHVIFKPF-UHFFFAOYSA-N	403.935	4.860	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(F)c([N+](=O)[O-])c3)sc2C)cc1	788147625	JUDVDOQWDXJHSH-UHFFFAOYSA-N	401.419	4.536	50	20	HJGD	
COc1cc(NNC(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)ccc1Cl	789025406	GXRGLUNSZMNUAS-FQEVSTJZSA-N	410.905	4.662	50	20	HJGD	
N#C/C(=C/c1cccc(I)c1)C(=O)c1ccc2ncccc2c1	789158711	GKFHQMNDQHMPKD-SXGWCWSVSA-N	410.214	4.629	50	20	HJGD	
O=C(NNC(=O)c1occc1CSc1ccccc1)c1cc2ccccc2cc1O	789889292	KLUJBZMASDYLAD-UHFFFAOYSA-N	418.474	4.506	50	20	HJGD	
COc1cc(NNC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)ccc1Cl	790178105	VEHFELXKQHFVND-AWEZNQCLSA-N	411.889	4.650	50	20	HJGD	
CC[C@H](C#N)Oc1cc(CNC(=O)NNc2cc(Cl)cc(Cl)c2)ccc1OC	790354014	FGGVWCBYKFUUKZ-MRXNPFEDSA-N	423.300	4.509	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)c1C	790444020	UCKRPTCIGFSTFW-NEIUSJPKSA-N	424.472	4.654	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2oc(C(C)C)nc2C#N)c(OC2CCCC2)c1	790534466	PYYYYTZIRXTJEU-UHFFFAOYSA-N	412.490	4.537	50	20	HJGD	
Cc1ccc(NC(=O)N(C)C)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	798083329	BUUNLBCIZCQTBZ-JAIQZWGSSA-N	421.545	4.709	50	20	HJGD	
C[C@@H](C(=O)NNc1c(Br)cccc1Br)c1cccc(F)c1	801504444	NPSAMZQKENMEQI-SECBINFHSA-N	416.088	4.598	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc(N2CCCCC2)c(Cl)c1	806232611	FOSMHINNTPUTHN-UHFFFAOYSA-N	400.914	4.536	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1	813047399	UWNVQPWSYGQMIK-UHFFFAOYSA-N	407.436	4.695	50	20	HJGD	
O=C(NNc1ncncc1F)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1	814647309	VXHIPFHZRNUIEP-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
O=C(NNC(=O)c1cnc2c(F)ccc(F)c2c1)Nc1ccc(-c2ccccc2)cc1	816596250	UYPMKZOWHBKLJC-UHFFFAOYSA-N	418.403	4.647	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(NCC2CC2)nc1	817014671	SRIVJHHVDYJXPQ-UHFFFAOYSA-N	418.341	4.698	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2cccnc2)Cc2ccco2)c1C	864048615	LVYYXHUICZZTMJ-LPYMAVHISA-N	402.498	4.639	50	20	HJGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Br)s1	912773754	UGJJHZWDJHQEMV-VWLVURMCSA-N	406.301	4.663	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)[C@@H](C)c1cccc(OC)c1	914509863	FWAVVOHPGGUXAM-BAOAJVHZSA-N	423.557	4.838	50	20	HJGD	
CCOc1cccc(C=NNC(=O)c2ccc(Cl)cc2Cl)c1OC(F)F	916360111	HLKGGPIKGCWIJU-UHFFFAOYSA-N	403.212	4.757	50	20	HJGD	
N#Cc1cccc(OCC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	918563774	WPELMQPVZFEPRV-MRXNPFEDSA-N	400.809	4.795	50	20	HJGD	
CCCC(=O)NC1(c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3F)cc2)CCC1	1791140932	HHATWRGGWAPWGQ-GHRIWEEISA-N	423.463	4.806	50	20	HJGD	
C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccccc1	1791337249	BSHXYGSVTMOITB-MGPUTAFESA-N	402.897	4.849	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2C)CC1	1830314951	QVHKYDYIMUHYTH-LEWJYISDSA-N	404.982	4.554	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1	1832474546	VTYXMYKLLFYFJJ-UXHICEINSA-N	409.014	4.594	50	20	HJGD	
Cc1ccccc1-c1noc(COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)n1	28668814	GVBHMJQPRGEDHW-RGVLZGJSSA-N	418.497	4.770	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	102975300	HKZKEHOLZPIEMR-QINSGFPZSA-N	405.435	4.878	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3nccs3)c2)c1C	108726429	IUDHTSVBASHECP-VBNMEBLOSA-N	420.538	4.982	50	20	HJGD	
COc1ccc2cc(/C=C\C(=O)NNC(=S)Nc3cccc(Cl)c3)ccc2c1	213104918	CEUXNUSLAWHRPV-POHAHGRESA-N	411.914	4.533	50	20	HJGD	
CCN(c1ccccc1)c1ccc(CNC(=O)c2c(C)nn(CCCl)c2C)cc1	303937527	DDYGJMHHVLEKOI-UHFFFAOYSA-N	410.949	4.827	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(C2CC2)nc2ccccc12	727177758	FPPQHYDKLOFCJH-UHFFFAOYSA-N	404.539	4.867	50	20	HJGD	
O=C(NN=Cc1ccc(OCc2ccncc2)cc1)c1c(Cl)cccc1Cl	727779256	UMFRSYBVYCUIRH-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
Cc1c(NNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cccc1[N+](=O)[O-]	728128086	RWEGFTPORJRXDW-UHFFFAOYSA-N	423.454	4.599	50	20	HJGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	728600791	SYNAUHGDEOTWLT-LBPRGKRZSA-N	421.297	4.793	50	20	HJGD	
CCN(CC)C(=O)c1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)cc1	729166680	YUQCGCMNXJSVIO-UHFFFAOYSA-N	401.510	4.520	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H](Sc1ccccc1F)c1ccccc1	730031468	RUWLBYPPJQBJPE-LJQANCHMSA-N	420.469	4.852	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ncc(-c3ccc(Br)cc3)[nH]2)cc1	732713632	IXZLRGQUIPQXJO-GDNBJRDFSA-N	407.271	4.693	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc2[nH]c3c(c2c1)CCCC3	732977612	NRWWMNFVXBYSBA-UHFFFAOYSA-N	407.861	4.507	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1	734259074	PHKDZXLORNSILX-UHFFFAOYSA-N	415.419	4.612	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cs1)C1CC1	734304457	KEFYRNJVFIXJBZ-WUXMJOGZSA-N	406.294	4.755	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cccc(OC2CCCC2)c1	741981501	MSDUCGMRRVWOHG-UHFFFAOYSA-N	411.246	4.806	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cc(C)c(C)cc2OC(F)F)c1C	742350062	NXRCEVNPEFWOTB-CXUHLZMHSA-N	416.424	4.816	50	20	HJGD	
CC[C@H](C)C[C@H](C)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	742720394	XCJNSMUIPFYWHB-XGSMPBFLSA-N	423.948	4.965	50	20	HJGD	
CN1[C@H]2CC[C@H]1CN(C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)CC2	746024656	QYVZJPBQUXPNFW-SLEUVZQESA-N	407.889	4.606	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)NCc1ccc(C(C)(C)C)cc1	746223760	WRCJUAZRWGLGEL-UHFFFAOYSA-N	422.554	4.560	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1	747604812	FZWLELUEMGLGCZ-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
Cc1nc(-c2cccc(NC(=O)C(=O)NNc3ccc(Cl)cc3Cl)c2)cs1	747700771	SBKGFHQKPNDZFN-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
C[C@@H](C(=O)NNc1cccc2cnccc12)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	748776073	LNMJFDKQHNYOHU-IIBYNOLFSA-N	420.513	4.580	50	20	HJGD	
CCc1cccc2c(C(=O)[C@H](NNC(=O)c3ccccc3C)c3ccccc3)c[nH]c12	750298131	BKLSWPVXGWHMKW-XMMPIXPASA-N	411.505	4.897	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)cnn1-c1cccc(F)c1	752633217	YTZIFHLBVVMNGO-UHFFFAOYSA-N	422.382	4.619	50	20	HJGD	
CSc1cc(Br)ccc1C=NNC(=O)c1cc(-c2ccccc2)on1	755891583	CBFITBZPWQIGSV-UHFFFAOYSA-N	416.300	4.590	50	20	HJGD	
CC(CC1CCOCC1)=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	757560332	FVAPJYKZMRBLSX-UHFFFAOYSA-N	422.554	4.778	50	20	HJGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)NNC(=O)CSc1ccccc1O	763955597	JYWMGTUCBKGRQI-UHFFFAOYSA-N	419.572	4.536	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=CC2CCC(C(F)(F)F)CC2)cc1Cl	767380624	SKSZUSYZSDRAKX-UHFFFAOYSA-N	407.820	4.833	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	772892513	LQYBTUVLYSJSQI-LJQANCHMSA-N	414.481	4.855	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1	773625243	GLMGSWAPMCGACI-ZRDIBKRKSA-N	414.433	4.636	50	20	HJGD	
CN1C(=O)CCc2cc(/C=C(/C#N)C(=O)Nc3ccccc3Oc3ccccc3)ccc21	773906448	FTXPDOFVFLQGBT-SILNSSARSA-N	423.472	4.934	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cccc(-n2nccc2-c2ccccc2)c1	775251888	CYBXSCMVZFGJEG-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
CCCN(CCC)C(=O)c1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)cc1	775524421	PWRSYQSPXBASJF-UHFFFAOYSA-N	423.439	4.511	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c(Cl)c1	775772594	TZCKPAOSFJWEGI-OAHLLOKOSA-N	423.300	4.551	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc3ccccc3n2)o1	777463402	RQVWSQWSMMAJQF-UHFFFAOYSA-N	409.449	4.746	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	786042940	NGLPLMIZOAAJOM-MHWRWJLKSA-N	406.847	4.730	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccc(Br)nc2)cc1)c1ccccc1	788587740	MMNBYUOYIQORFU-AWEZNQCLSA-N	412.287	4.741	50	20	HJGD	
COc1cc(NNC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)ccc1Cl	788905164	PMHDWCPZXUHFAC-LLVKDONJSA-N	417.815	4.677	50	20	HJGD	
N#C/C(=C\c1cnc(-c2ccc(Cl)cc2)s1)C(=O)NCc1ccc(F)cc1F	789147045	FSWPSPUPLVULTA-VGOFMYFVSA-N	415.852	4.965	50	20	HJGD	
N#C/C(=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1cnc2ccccc2n1	790231274	NDFXJFIKZZZREA-NTEUORMPSA-N	402.255	4.847	50	20	HJGD	
O=C(NN=C(C[C@@H]1CCOC1)c1ccc(F)cc1)c1ccc(COc2ccccc2)o1	792943948	PEDMDGPYSZOSIL-KRWDZBQOSA-N	422.456	4.558	50	20	HJGD	
O=C(NN=C1CCCC12CCOCC2)c1cn(-c2ccccc2)nc1-c1ccccc1	799866852	WPJZOBHKDATAJT-UHFFFAOYSA-N	414.509	4.606	50	20	HJGD	
O=C(NNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)Nc1cc(F)cc(F)c1	802001170	GZEZCJHKBOCKMA-UHFFFAOYSA-N	416.815	4.510	50	20	HJGD	
CC(=O)CCCCCCC(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	802069678	NKVZQYTUXKYCPR-UHFFFAOYSA-N	408.713	4.729	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccoc2)cc1OCc1ccc([N+](=O)[O-])cc1	806557119	MNUOEGREYCMHPG-ZDLGFXPLSA-N	404.378	4.565	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)Nc1sc2c(c1C#N)CCC2	853000353	KQEBDJGIBUVBKY-QWHCGFSZSA-N	424.613	4.693	50	20	HJGD	
Cc1ccc(OCC(=O)NNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1C	912985798	UJFCHTVPLOYTGG-UHFFFAOYSA-N	423.321	4.665	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OCc2cc3ccccc3o2)c(-c2ccccc2)n1	918501191	VBXICDPJRNBTMS-MOSHPQCFSA-N	422.444	4.860	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(OCC(C)C)c2)c1C	919891663	ILIUZJKRPCGZCA-AOOMUMSASA-N	423.557	4.571	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3csnn3)cc2)c1C	919987752	SOLXOZAOIARRPE-UNOMPAQXSA-N	405.527	4.969	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1	920437285	VKGJAGXFRWXTMX-UHFFFAOYSA-N	422.325	4.634	50	20	HJGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1ccc2c(c1)oc1ccccc12	1329070160	VMLBTRWLOJNMIZ-UHFFFAOYSA-N	421.460	4.684	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)COC3CCCCC3)CCC2)cc1	1786009835	PQJTUIAHPQYUGS-UHFFFAOYSA-N	420.981	4.735	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2cccs2)[nH]n1	1815324786	XJYBGVOIWRXUIG-YCPHGPKFSA-N	422.982	4.675	50	20	HJGD	
CC(C)c1ccc([C@H](NC(=O)NNC(=O)c2cn(C)c3ccccc23)C(C)C)cc1	10260203	GQCLHMYVJXKGCW-JOCHJYFZSA-N	406.530	4.643	50	20	HJGD	
CCOC(=O)Nc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	20898917	JVNMHFXRIRFPHG-UHFFFAOYSA-N	402.665	4.972	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1C	211972306	GHNWCPVYLIDVDT-XKZIYDEJSA-N	415.493	4.757	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2oc3ccc(F)cc3c2C)c1C	303061981	XSUVXZJJRLWNOY-VRKJEAOJSA-N	423.488	4.729	50	20	HJGD	
CC(C)n1ncc2cc(C=NNC(=O)c3c(Cl)cccc3Cl)c(Cl)nc21	727778579	BAWUNTVQLLHJOO-UHFFFAOYSA-N	410.692	4.736	50	20	HJGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	729623710	LTEUWGKREWWDGT-GAJHUEQPSA-N	417.509	4.551	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	730244478	WVPDCLPFPWYGJP-DOTOQJQBSA-N	416.653	4.852	50	20	HJGD	
O=C(CCc1nc2cc(Cl)ccc2s1)NNc1ccc(Cl)cc1[N+](=O)[O-]	730528451	RQOJPMYYSDHXGG-UHFFFAOYSA-N	411.270	4.587	50	20	HJGD	
COc1cccc(COc2cccc(Cl)c2C=NNC(=O)c2ccccc2OC)c1	731488972	XVBVKVYRLMZKLN-UHFFFAOYSA-N	424.884	4.700	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ncc(-c3cccc(Br)c3)[nH]2)cc1	731938672	RCXYBRDAOCWVMV-GDNBJRDFSA-N	407.271	4.693	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C#N)cn2)c(C)n1-c1ccc(Cl)cc1	731989312	VCXMARVEPQOYOO-ZDLGFXPLSA-N	401.857	4.560	50	20	HJGD	
N#C/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)no1	733083563	LSHALJZQIRDYRM-DHDCSXOGSA-N	401.407	4.832	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	733812238	RZTOLTJDAZHQJM-NRFANRHFSA-N	422.460	4.885	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)c2cc(Cl)ccc2OC)c1C	733938124	DXGIZWITWRSYGV-BFERYNQYSA-N	415.921	4.544	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccn(C(C)C)n2)c(C)n1-c1ccc(F)cc1	735129802	ZJQRXUPPYCOYJH-XDHOZWIPSA-N	406.461	4.661	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(C)nc3ccccc23)c1C	735889986	OTHDQCBYTPUIAC-IUOVYFEOSA-N	417.509	4.819	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(F)cc1Br)c1ncc(-c2ccccc2)o1	740485775	ITPRZQRBIZUVQA-NSHDSACASA-N	419.254	4.631	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CC(F)(F)F)cc2)c1C	741594789	RHSZMRZUYFSFHZ-RPJLVFAOSA-N	419.447	4.963	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cc3ccccc3o2)c1C	746560037	JTVKHJSEDBTLRO-BYINCCNUSA-N	405.498	4.624	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc2noc(-c3ccc(F)cc3)c2c1	747590562	LNJXIZQUBAPHAW-UHFFFAOYSA-N	401.319	4.808	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1ccc(Oc2cccc(Cl)c2Cl)nn1	748335503	UYCVAVXLCRGHRX-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)cc1	748359773	LCWQDRJZPLZUQF-SEYXRHQNSA-N	423.460	4.525	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cnc2ccccc2c1C(F)(F)F	748710439	AMXPKIYSLYZMKU-UHFFFAOYSA-N	410.739	4.572	50	20	HJGD	
O=C(NCCc1nnc2ccccn12)Nc1ccc(S(F)(F)(F)(F)F)cc1	752986036	XWOYHBVAECCKGJ-UHFFFAOYSA-N	407.368	4.751	50	20	HJGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cccc(CSC3CCCCC3)c2)cc1	756599185	XTGRKZLECXTBOF-UHFFFAOYSA-N	408.527	4.591	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccccc2SCc2ccco2)c1	761654647	WSEQIHRXZPWTCA-UHFFFAOYSA-N	411.552	4.820	50	20	HJGD	
Cc1ccc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1C(N)=O	762455728	DDCBJRMLVHNSBP-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
O=C(O)c1ccc(O)c(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762456621	KRQBKYLVINSWMN-UHFFFAOYSA-N	419.349	4.549	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@@H](c1cccc(F)c1)c1ccccn1	766295885	SNGILNWYVSTRIR-SFHVURJKSA-N	405.260	4.943	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccc(F)c1F	766558835	HKBCTTBXIHNLLW-CQSZACIVSA-N	410.424	4.729	50	20	HJGD	
Cc1cccc(C(=O)OC[C@@H](C)CBr)c1NC(=O)c1ccccc1F	770345408	DWMKUFBNWNBOON-LBPRGKRZSA-N	408.267	4.574	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	773694750	PLBZAXMVXUXTNS-UHFFFAOYSA-N	412.276	4.646	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1	773729197	MTJWTEQHQHVFLG-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
CC(C)(C)c1ccc(Oc2ccc(C(=O)NNc3cnc4ccccc4n3)cn2)cc1	774768946	FFXQMQSIBPBDCW-UHFFFAOYSA-N	413.481	4.872	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc([C@H](C)OC)n2)c1C	782469656	LKUOYUGXCNXOOY-HKJBKDEOSA-N	401.532	4.719	50	20	HJGD	
CC(C)(C)c1nc2ccc(NC(=O)C(=O)NNc3cccc4c3CCCC4)cc2s1	783451099	SMDMYWGFSYXPMQ-UHFFFAOYSA-N	422.554	4.554	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	785343168	BNFDNRIZXZKAFU-OJLMPMFISA-N	422.790	4.836	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1C	790094267	QTENFQCTDUESQE-ZDLGFXPLSA-N	420.340	4.624	50	20	HJGD	
CCn1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)c(=O)c2cc(Cl)ccc21	791733408	SQANHPYTCYFCLB-UHFFFAOYSA-N	410.688	4.739	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2C(C)C)c1C	799426977	QLIOYIAHJRKNQJ-MOSHPQCFSA-N	407.514	4.727	50	20	HJGD	
Cc1sc(Br)c(C(=O)NNc2ccccc2OC(F)(F)F)c1C	799723272	CCOQPISMFOYWOB-UHFFFAOYSA-N	409.227	4.783	50	20	HJGD	
CC(=NNC(=O)c1ccc(-c2ccc(F)cc2)s1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814770208	USDHVVOMDBGXOA-ZBFHGGJFSA-N	402.491	4.797	50	20	HJGD	
CCCn1ncc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C1CC1	817015214	RMKRMHPPLUIWJZ-UHFFFAOYSA-N	420.357	4.965	50	20	HJGD	
CCOc1ccc(NNC(=O)CCSc2ccnc3cc(Cl)ccc23)cc1	817885596	FVKUZSHPDITAGF-UHFFFAOYSA-N	401.919	4.912	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3nccn3C(F)F)c2C)cc1	818010334	KGEKNSHYJCUWCC-WOJGMQOQSA-N	410.424	4.645	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(Br)c2)c1C	914475074	XVECGAOXGDRXDW-WOJGMQOQSA-N	400.320	4.501	50	20	HJGD	
Nc1cnnc(NNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)c1Cl	1116292307	COFSIRKSIKMRDV-UHFFFAOYSA-N	424.675	4.568	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(CN3CCCC3)c2)c(C)n1CC(C)C	1248613146	WLXYMKXHYZIMBN-OEAKJJBVSA-N	404.558	4.902	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccoc3)cc2)CCC1	1786747716	VMUXOTBUGRYYFZ-CEQQRPIWSA-N	400.906	4.834	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C3(c4cccc(F)c4)CC3)CCC2)cc1)[C@H](F)Cl	1788582161	CKQHKMSGPUMUFW-SFHVURJKSA-N	418.871	4.526	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2sccc2s1	1798029420	NJJZKYHGWNZCNE-CRWXNKLISA-N	410.992	4.622	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C)c2)CC1	1824614455	CSSVOLUKFJWLNP-TZIWHRDSSA-N	422.972	4.775	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2)CC1	1824616385	KRWCHTPJVKCMLR-SFTDATJTSA-N	404.982	4.636	50	20	HJGD	
CCCCC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CO[Si](C)(C)C)CC1	1829103279	FRSWQSDCSSRNAW-TZIWHRDSSA-N	424.702	4.674	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c2ccccc21	17475352	JPYZPPSZFBCKAW-SFQUDFHCSA-N	424.489	4.619	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)c1C	214752516	AJHOBUDPBWEMRE-ZDLGFXPLSA-N	418.415	4.867	50	20	HJGD	
CCSc1ccc([C@H](C)NC(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1	729053950	GXVMAEDIGDGIEC-ZDUSSCGKSA-N	423.991	4.636	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)NCc1ccccc1Cl	729306997	HRZWVCTYDYDABF-UKRRQHHQSA-N	401.981	4.602	50	20	HJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Br)c3c(c2)OCCCO3)s1	729820406	QGIRULIRJFUWTI-NTUHNPAUSA-N	404.285	4.770	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	730457842	RJCIMSNMJIXARG-RBUKOAKNSA-N	413.304	4.640	50	20	HJGD	
O=C(CCCCCc1cccs1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	731454981	YDRCHAAPSJBREL-UHFFFAOYSA-N	401.410	4.921	50	20	HJGD	
O=C(Cc1coc(-c2cccs2)n1)NNc1ccc(Br)cc1Cl	733808074	JVBDRYJKUUZYID-UHFFFAOYSA-N	412.696	4.505	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c1C	734354509	FJFLPVCGPWIAPV-HPKZAJHOSA-N	405.542	4.624	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1Cl	735519259	RRVDTUIGUVSVIU-ABROSTTOSA-N	410.345	4.601	50	20	HJGD	
C[C@H](NC(=S)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	741870037	LJBLNQABHAFXCB-VIFPVBQESA-N	417.749	4.909	50	20	HJGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	742005503	AITWIUWLJXWBLU-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743619962	VYDWREYXLDWMNQ-FPOVZHCZSA-N	424.545	4.531	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)oc1-c1ccccc1	748000294	KWTFPWQLBIXSBB-UHFFFAOYSA-N	400.394	4.674	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2	748012736	QLCJUFJPJCRZDA-UHFFFAOYSA-N	423.250	4.703	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(F)cc1Br	748073883	GJBKYFWXKIEPLF-UHFFFAOYSA-N	424.657	4.962	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)c(Sc2ccccc2)n1	748659209	HIHXRZXGKGXNDE-UHFFFAOYSA-N	401.438	4.900	50	20	HJGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748696151	ZMVUWFMZXQWMBE-UHFFFAOYSA-N	409.191	4.700	50	20	HJGD	
CN(C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1)C1CCCCC1	750807781	ITHYGWLCISXCPI-XDJHFCHBSA-N	405.473	4.776	50	20	HJGD	
Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(CCCCl)cc3)cc2)oc1C	751269742	DOAHUHCMTJTXRV-UHFFFAOYSA-N	404.919	4.931	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(C2OCCO2)CC1	752982961	XHVSKDKNRUXQET-UHFFFAOYSA-N	402.385	4.961	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1nc(-c2cccs2)oc1C	753185935	YIDHHGXVJYFJGS-UHFFFAOYSA-N	406.305	4.793	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(C#N)c(Cl)c2)c(Cl)c1	753316126	MIGDOGNULROPOQ-UHFFFAOYSA-N	421.284	4.969	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cccc(OCc2cccnc2)c1	754148519	KLASCXHLOAKNDN-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)NNC(=O)c3c[nH]c4ccccc34)c2)C1	756257042	KHYMZKZSWHDPKA-VQIMIIECSA-N	420.513	4.730	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1	757036127	YLJHHSYYWXTLBW-LICLKQGHSA-N	408.841	4.962	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1NC(=O)NC(C)(C)C	761588387	IZIRQEFDSQZXRR-UHFFFAOYSA-N	424.423	4.571	50	20	HJGD	
COCc1cccc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762633119	DNAYXCSKBMVEAV-UHFFFAOYSA-N	424.391	4.745	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1	776655870	GQRNGPAGDBBSTM-BOLOISJXSA-N	408.523	4.519	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1	776655871	GQRNGPAGDBBSTM-CHLKZYANSA-N	408.523	4.519	50	20	HJGD	
O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(S(F)(F)(F)(F)F)c1	778018183	RHUZVESZGGLEMU-MCIONIFRSA-N	419.437	4.580	50	20	HJGD	
COc1ccc(NNC(=O)c2sc3cccc(F)c3c2COc2ccccc2)nc1	781518197	DONTYSFTHCXQCP-UHFFFAOYSA-N	423.469	4.780	50	20	HJGD	
O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NNc1cccc(F)c1[N+](=O)[O-]	790588402	WTTWUHWJXNYWEL-UHFFFAOYSA-N	414.220	4.537	50	20	HJGD	
O=C(O)CCCCCCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790614404	AEPHTIJJTATTIN-UHFFFAOYSA-N	411.414	4.657	50	20	HJGD	
CCc1c(C(=O)NNc2cccc(Br)c2)cnn1-c1ccccc1Cl	790806933	NWEIFECNXURYIR-UHFFFAOYSA-N	419.710	4.608	50	20	HJGD	
N#C/C(=C/c1c(F)cccc1Br)C(=O)Nc1ccccc1Br	794875241	ONCBJKVOSCOIBM-NTMALXAHSA-N	424.067	4.896	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC2CC2)cc1	797398441	NKEIWISZBTZQFF-YVLHZVERSA-N	409.873	4.633	50	20	HJGD	
Cc1noc(C2CCC(=NNC(=O)c3cc(-c4ccco4)nc4ccccc34)CC2)n1	797399617	FRRJYKMDUMZVBM-UHFFFAOYSA-N	415.453	4.630	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2c(F)cccc2F)cs1	810420504	IVOKUEZJRUQFFX-UHFFFAOYSA-N	405.445	4.957	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1	816338064	TVQGXCONGSUQBJ-UHFFFAOYSA-N	405.451	4.534	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNc1ccccc1[N+](=O)[O-]	825020357	BYTLKYKNFMVPPO-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
COc1ccccc1OCC(=O)NN=Cc1ccc(-c2ccccc2Cl)s1	873977318	DAYIKKXOVMLTMY-UHFFFAOYSA-N	400.887	4.606	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)[C@H](C)c1cccc(OC)c1	914509866	FWAVVOHPGGUXAM-ZBAGDBNDSA-N	423.557	4.838	50	20	HJGD	
N#C/C(=C/c1csnn1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1	915986070	UATVXAYZOQNHBD-OQFOIZHKSA-N	408.295	4.514	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(C)c(SCC#N)s2)c1C	916088644	XSFULFQBADQJQS-BOPFTXTBSA-N	413.572	4.831	50	20	HJGD	
Cc1cccc(NNC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1	916162663	AWVDAYJBQBQASQ-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
CCCOc1ccc(C=NNC(=O)c2ccc(F)cc2Br)cc1OCC	917552249	DLJQVUBYJQKBJV-UHFFFAOYSA-N	423.282	4.540	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NCCC)cc2)c1C	917812646	ZBJRTQZTKDIUIG-RCCKNPSSSA-N	406.530	4.591	50	20	HJGD	
Cc1cc(O[C@H](C)C(=O)NNC(=S)Nc2cccc(Cl)c2)ccc1C(C)C	918679906	QIRVRWYGEZDQDN-CQSZACIVSA-N	405.951	4.557	50	20	HJGD	
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NNc1cncc(Br)c1	1261786579	LBAJQYROSLDGRL-DAFODLJHSA-N	420.616	4.673	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC)cc3)CCC2)cc1	1786443224	AZPHXRFJVDXFGO-HXUWFJFHSA-N	413.949	4.884	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Nc3ccccc3)cc2)CCC1	1789467737	LYCXRPATMYSTKK-UZLBHIALSA-N	413.949	4.639	50	20	HJGD	
Cc1cscc1C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Br)cc2)CCC1	1791434782	ZRFSSZKVNXUZSB-CYBMUJFWSA-N	421.360	4.588	50	20	HJGD	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@](C)(Cl)CCl)CCC2)cc1	1791730715	SZNYGTPDAVNAHW-HXUWFJFHSA-N	409.357	4.550	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(C(C)(C)C)c3)C2)CC1	1807445581	KMPWNVCIPRAJNU-GOSISDBHSA-N	422.013	4.565	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)cccc2F)[nH]n1	1815324081	JDHPSJSSONSLIU-PBHICJAKSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C)cc2)CC1	1824614678	PICCYPLNCRBDLS-VXKWHMMOSA-N	419.009	4.565	50	20	HJGD	
O=C(/C=C/C1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)C(Cl)Cl)CC1	1831879276	XDVPMOQPCNMWFZ-BBVFFXRHSA-N	415.405	4.546	50	20	HJGD	
Cc1cnoc1C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1844618768	KQGCNNDCJKFPRX-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1	7907151	KCQBCUBYCBCPKX-QZMYASAMSA-N	419.488	4.719	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(Br)cc1O	214138930	IOLGAPDXRUOUPH-OQLLNIDSSA-N	423.266	4.862	50	20	HJGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1csc(-c2csc(C)n2)c1	729145486	RNLWBJRVFXFVMB-UHFFFAOYSA-N	407.467	4.935	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)C(C)(C)c1ccccc1	731153203	FFJFCSVEUGJRON-UHFFFAOYSA-N	415.324	4.915	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1sc2cc(F)ccc2c1Cl	732836039	AYBZUZZGMVIMHW-UHFFFAOYSA-N	400.660	4.608	50	20	HJGD	
O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NNc1cnnc2ccccc12	733811565	LNEJTZNSHWUJTL-UHFFFAOYSA-N	418.884	4.548	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1	735688729	OJADEBLZHSOEDW-KRWDZBQOSA-N	423.300	4.899	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)c(C)n1CC(C)C	737726938	IFUWVCIRFKKJED-PPRFWAEMSA-N	420.557	4.532	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCO[C@@H](C(F)(F)F)C1	740434356	GQTUPCRTSSXNIC-GHMZBOCLSA-N	422.778	4.701	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc2cc(F)ccc2s1	742108415	PQLCNXCKQRHRSK-UHFFFAOYSA-N	401.207	4.838	50	20	HJGD	
CCN(CC)C[C@@H]1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)C1	742868181	QEXCJCZPJTVSFW-XUVWKZFSSA-N	410.606	4.707	50	20	HJGD	
CCN(CC)[C@@H]1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	743085196	WEEDLZWJOVHXOM-DOMZBBRYSA-N	409.905	4.854	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(Oc2cccc(Cl)c2Cl)nn1	743336059	CLUVWVMKTIOQRT-UHFFFAOYSA-N	411.195	4.611	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccncc2)c(C)n1-c1ccccc1F	743723378	ROPGVECVLNNJGI-RHTHQAGFSA-N	402.473	4.755	50	20	HJGD	
CCC(=O)Nc1ccc(NC(=O)NNc2ccc(Br)cc2CC)cc1	752501907	RGSLPXOXQUWGCF-UHFFFAOYSA-N	405.296	4.509	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1Cl	753318509	SNVIMAGAWZZYPE-UHFFFAOYSA-N	407.817	4.620	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(-c3cccc(Cl)c3Cl)nn2)c1C	754686892	WYVYPLQFFLIKKG-NTEUORMPSA-N	412.280	4.737	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C=NNC(=O)c1c(Cl)cccc1Cl	755697995	MBNRFKWPVKXLSU-UHFFFAOYSA-N	407.688	4.905	50	20	HJGD	
CC[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CC[C@@H]1NC(=O)OC(C)(C)C	757365473	QTFALEMUJIWXSO-ZACQAIPSSA-N	416.653	4.852	50	20	HJGD	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccc([N+](=O)[O-])c2ccccc12	757435184	IDGAKJLVIMNNJW-UHFFFAOYSA-N	424.412	4.822	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(C(F)F)ccc2Cl)c2ccccc2n1	757734945	NSJNHXSLYWADDD-UHFFFAOYSA-N	404.804	4.601	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1sc(-c2ccccc2)nc1-c1ccccc1	759285862	QRWLBPJZPAKFSU-UHFFFAOYSA-N	417.450	4.537	50	20	HJGD	
Cc1cn2c(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3Br)c(C)nc2s1	765614005	ZJFFPLAZZZCRFJ-VZUCSPMQSA-N	403.261	4.748	50	20	HJGD	
O=C(O)c1cc(F)cc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	766546798	DPMQHJULCUCRCI-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cs1	766546805	DRBMSNLLVYFELL-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
O=C(NNc1c(F)cccc1F)Nc1ccc(OCc2ccccn2)c(Cl)c1	775571143	AUXAQVUUPDAECP-UHFFFAOYSA-N	404.804	4.741	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1	777481693	PJNOKCDVZNNEET-UHFFFAOYSA-N	410.477	4.802	50	20	HJGD	
NC(=O)Nc1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782909815	GHHHAFPYFSFTTO-UHFFFAOYSA-N	417.381	4.635	50	20	HJGD	
O=S(=O)(NCC1(CO)CCCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	782984353	IYNIDRIZWAMMQC-UHFFFAOYSA-N	409.442	4.565	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCOC2(CCCC2)C1	782985294	NRKVHGMZVRCUCD-UHFFFAOYSA-N	407.426	4.678	50	20	HJGD	
COc1ccc(COCc2cccc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)c2)cc1	787215798	MFWDMDQQEAPCEC-BKUYFWCQSA-N	414.461	4.663	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	790591197	JESYLQYKQAXPIK-RBUKOAKNSA-N	421.428	4.560	50	20	HJGD	
Cc1cc(C)c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1C=O	793573914	CDOUJTQIRGKPTC-UHFFFAOYSA-N	416.102	4.942	50	20	HJGD	
N#C/C(=C/c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc2ncccc2c1	794885429	RMLGIBIWMUNUQF-NVNXTCNLSA-N	408.211	4.695	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	802822941	HEEGPDCRUHPVBO-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc3occc3c2)c(C)n1C[C@@H]1CCCO1	802852321	UWDLRAUKWNIWOJ-ZAAFRKLLSA-N	404.466	4.681	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1	813048479	XHWCBLFQMWMXGL-UHFFFAOYSA-N	403.910	4.641	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc(F)cc2)C(C)C)c1C	914501825	FVXNLFMLAQOVFJ-YPKZHZFPSA-N	411.521	4.796	50	20	HJGD	
COc1ccnc(NNC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)n1	914861544	WGPONJXHLVUXQB-UHFFFAOYSA-N	421.460	4.611	50	20	HJGD	
C[C@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)C(C#N)=C1Nc2ccccc2N1	915994744	LNFSFOFYWWMMEI-NSHDSACASA-N	409.902	4.549	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)[C@H](C#N)c2ccc3ccccc3n2)c(C)n1C[C@@H]1CCCO1	916848701	NQPBPNZEXIQAII-FHRPGNHBSA-N	424.504	4.616	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2ccncc2)nc2ccccc12	917213290	CNJIZYKCBNKQHZ-UHFFFAOYSA-N	419.828	4.615	50	20	HJGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(O)c(CN2CCCCC2)c1	917546751	GLDFKDAEGBEORG-UHFFFAOYSA-N	401.510	4.685	50	20	HJGD	
O=C(NCCCCn1ccnc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918029847	HDDPDVLLDMNTPG-AWEZNQCLSA-N	406.861	4.704	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)c1	918686897	CDMBPXPQFPWNKV-LLVKDONJSA-N	414.383	4.800	50	20	HJGD	
N#Cc1cccc(NNC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)c1	920920825	MMDVBXHOQLZNTO-FQEVSTJZSA-N	421.298	4.736	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1116096311	IPJYJQIVCIBYPO-CQSZACIVSA-N	410.547	4.593	50	20	HJGD	
COc1cccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)c1Br	1325692377	ZNJHHNZLHDZCPB-UHFFFAOYSA-N	420.185	4.505	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2)nc2ccccc12	1340309471	XZFSWOWFRDBQOB-UHFFFAOYSA-N	419.828	4.615	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccnc3Cl)cc2)CCC1	1785751912	QEDWHZBIDQOQLS-KRWDZBQOSA-N	420.340	4.890	50	20	HJGD	
Cc1ccc(/C=C/C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)s1	1788587360	CFYVOHSHMDJYGS-QZEKMECESA-N	406.910	4.738	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1	1824616053	IKOQPNLRKYPLIN-VXKWHMMOSA-N	419.009	4.944	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1	1826527417	RTYFRFJTYGHZLT-VIOKTNGOSA-N	416.993	4.585	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2)cc1	207820663	ULEGZOXFDGPEHQ-ZHZULCJRSA-N	411.461	4.802	50	20	HJGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	727060929	ADQGUJKNVHGDCW-BOPFTXTBSA-N	419.308	4.632	50	20	HJGD	
C=CCOc1ccc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1Cl	727255594	KIEQKXLXZBUYIC-UHFFFAOYSA-N	411.914	4.721	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2scnc2-c2ccccc2)c1C	727993391	SJGYBWUJJAKLMR-IWEBCOIVSA-N	420.538	4.982	50	20	HJGD	
CCCOc1c(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)cccc1OCC	730571174	URUDULJPYPADSV-UHFFFAOYSA-N	423.538	4.690	50	20	HJGD	
O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NNc1nc(-c2ccccc2)no1	732113389	SZLSSDBDQPUCKU-TWGQIWQCSA-N	408.767	4.565	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(-c4nc[nH]n4)cc3)c2C)c1	732160138	QVPPQSKHGBQUKO-BKUYFWCQSA-N	422.492	4.733	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@@H]1Cc2cc(F)ccc2O1	740648605	UOMLLKRMCDRXTP-XJKSGUPXSA-N	405.800	4.987	50	20	HJGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1c(F)cc(F)cc1Br	742707660	CABUFLBIVHTNHK-SNVBAGLBSA-N	401.226	4.578	50	20	HJGD	
CN(C)Cc1c(C(=O)NNc2ccc(Br)cc2Cl)oc2ccccc12	743337839	WQBPUGYOHZPRGV-UHFFFAOYSA-N	422.710	4.667	50	20	HJGD	
CN(C[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1)C(=O)OC(C)(C)C	744341172	DPKGBVWZAXVDIA-IRXDYDNUSA-N	416.653	4.806	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1	744502446	QLZWQLVQHFKZIM-JQFNYASXSA-N	407.857	4.834	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3nc2Cl)ccc1SC	746340584	LROBSXJYNKODKU-UKTHLTGXSA-N	410.886	4.559	50	20	HJGD	
Cc1nc(Cl)sc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	748547757	SNYVXYMDQTVEDT-UHFFFAOYSA-N	415.527	4.931	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn(-c2ccccc2)c1CC	753170905	XZDIQFAGLKXBSJ-UHFFFAOYSA-N	413.319	4.517	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)c(Br)c1O	761013142	VYAOVJBHTGMXCP-DHZHZOJOSA-N	420.213	4.972	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccc(NC(=O)C2CCCCC2)c1	761584396	GHANRNIYRJPJCU-UHFFFAOYSA-N	421.419	4.861	50	20	HJGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)cc(Cl)c1O	765613348	KQFNAEUPTUDKSN-ONNFQVAWSA-N	409.623	4.789	50	20	HJGD	
C[C@H](NC(=O)NNc1c(F)cccc1Cl)c1cccc(OCc2ccccn2)c1	771301454	JSHPYKMICCDPDW-AWEZNQCLSA-N	414.868	4.840	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NNc1cccc(Cl)c1	775570357	ZAADSGRGOJMDBJ-HNNXBMFYSA-N	400.910	4.812	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	777477688	VPYSMSNJIQALLX-QHCPKHFHSA-N	423.472	4.754	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3csc(-c4ccccc4C)n3)c(C)cc2c1	778478697	GVJUTINASIZILZ-UHFFFAOYSA-N	404.495	4.741	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2c(Cl)ccc3cccnc23)cc1OC	781121884	NUTPXZDJODJPSY-UHFFFAOYSA-N	411.889	4.840	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1	782451970	XJVRNNNMXSPRSH-GYZOOYGHSA-N	421.428	4.794	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cn(-c2ccc(F)c(Cl)c2)nn1	782888165	UZOZSURISVPCOV-JYRVWZFOSA-N	405.820	4.639	50	20	HJGD	
N#C/C(=C/c1cn(Cc2cccnc2)nn1)c1nc(-c2ccc(Cl)cc2)cs1	783702375	XEKWMRDRUKUUQG-PXNMLYILSA-N	404.886	4.562	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1	787315853	YSAUOOIOTGQJMY-YVLHZVERSA-N	406.388	4.795	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1	790495736	KJGBGXHFXZTQOQ-KRWDZBQOSA-N	405.389	4.538	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccc(OC(F)(F)F)cc1	795175003	ZNISILVKDQVCIV-UHFFFAOYSA-N	411.767	4.959	50	20	HJGD	
O=C(COc1ccc2ccccc2c1)NNC(=S)Nc1cc(Cl)cc(Cl)c1	797132674	BXSNUWFJZZUJAU-UHFFFAOYSA-N	420.321	4.543	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ncnc(Cl)c3C(C)C)o2)c(C)c1	798143386	RKYRXMPBYZAMQK-UHFFFAOYSA-N	414.893	4.799	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)c1nc(-c2ccc(C#N)cc2)cs1	801647411	CUFSLVHHSZDHPU-YBFXNURJSA-N	408.490	4.944	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812249094	WGYBVAFXZUUXFZ-XYOKQWHBSA-N	400.809	4.612	50	20	HJGD	
CC(CCc1ccc(OCCC(=O)O)cc1)=NNC(=O)c1ccc(Cl)cc1Cl	814762419	ZYIFTQQMVARBIX-UHFFFAOYSA-N	423.296	4.585	50	20	HJGD	
CCOC1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCCC1	815067088	QPAVGOMBQZPLET-UHFFFAOYSA-N	409.442	4.972	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccc(NC(=O)NC2CC2)cc1	916645865	LEAHJWUTGSDYRD-NSHDSACASA-N	422.316	4.665	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2cccnc2)nc2ccccc12	917213577	PVEXXFGPUYKJCK-UHFFFAOYSA-N	419.828	4.615	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)c1ccsc1	921268313	AMDIFJVAKQCNHW-DHDCSXOGSA-N	406.301	4.716	50	20	HJGD	
O=C(CCl)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1	1253963060	KFKZFSHYMOHWDH-OAHLLOKOSA-N	403.762	4.509	50	20	HJGD	
Cc1ccccc1C(=O)NC1(c2ccc(NC(=O)CCBr)cc2)CCC1	1787674033	IECWFMMIMAKKCB-UHFFFAOYSA-N	415.331	4.528	50	20	HJGD	
CCCOc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)cc1	1788586370	IGPHPUCQVGBNQG-LJQANCHMSA-N	418.896	4.758	50	20	HJGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(C)c1Cl	1803534407	KNQJIWNHVLOSOC-QVHKTLOISA-N	417.764	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1	1831790344	HOUDZFHVUTUKDB-UXHICEINSA-N	411.030	4.984	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)cc1	22747656	BRVSFUMLTJAREJ-CPNJWEJPSA-N	402.425	4.959	50	20	HJGD	
CSc1ccc(COC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	23970080	BXGZQSDRVUCUNP-FVIRYLMMSA-N	410.539	4.656	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2ccc(Oc3ccccc3)cc2)cc1	727497400	PGQUDNHCDJZUEQ-UHFFFAOYSA-N	421.522	4.898	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(OCc2ccncc2)cc1	729516522	YSNDCTTYGKPHEA-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
O=C(Cc1ccccc1F)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1	731320508	MFYLVECFVPVBHD-UHFFFAOYSA-N	416.431	4.510	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCCCNc2ccccn2)c(C)n1C1CCCCC1	731632896	UGKXUIQIBJXHEF-XLNRJJMWSA-N	419.573	4.921	50	20	HJGD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)NNc1ccc(Br)cc1Cl	733805410	HVDZOQTZDOEPPW-UHFFFAOYSA-N	413.102	4.923	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1	733911319	CGEYJLBOYYNCTF-UHFFFAOYSA-N	411.918	4.663	50	20	HJGD	
COc1ccc2cc(-c3cc(C(=O)NNc4cnccn4)c4ccccc4n3)ccc2c1	734244192	SWTHYPGOMGLHCW-UHFFFAOYSA-N	421.460	4.611	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1	736212637	SGHOEMLTXYJVCW-WNPPMXKSSA-N	424.928	4.618	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc2ccccc12	741463067	WXQMOHRSGGUHMD-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
Cc1ccc(C[C@H](C)NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)s1	743624587	MBWBUVJMDRETDZ-HNNXBMFYSA-N	408.527	4.690	50	20	HJGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(C)c1	743765512	UFXRADHRNTVGRN-GOSISDBHSA-N	420.340	4.667	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3nccs3)c2C)cc1	746362099	USSGJIJYAIQURP-UYRXBGFRSA-N	420.538	4.515	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nnn(-c2ccc(OC)cc2)c1C	748667161	IMFXBHZTJOSODC-UHFFFAOYSA-N	421.526	4.535	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c(C)n1Cc1ccccc1	748702598	XNXFBUFKDUSHPX-UHFFFAOYSA-N	417.431	4.851	50	20	HJGD	
O=C(CCc1nc2cc(Cl)ccc2s1)NNc1ccc([N+](=O)[O-])cc1Cl	748726786	RTTIMZJFNHGVIG-UHFFFAOYSA-N	411.270	4.587	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1nccc2ccccc12	748833064	KLRNBPPZVXPJTC-UHFFFAOYSA-N	424.835	4.538	50	20	HJGD	
CC(C)C[C@@H](C)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	752231638	WPRFVYAPLNGHOR-YAJBTMAUSA-N	409.921	4.575	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(Br)cc2F)cccc1-c1ccccn1	755181563	XUTXNOVYFXZTKF-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1	767932442	VGWQJWXGOVGFED-KRWDZBQOSA-N	421.310	4.504	50	20	HJGD	
COc1ccc(NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	768331992	MRCHJSQPYQKIFA-FQEVSTJZSA-N	409.467	4.580	50	20	HJGD	
CC(=O)N(Cc1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1)C1CC1	770033915	HHJAWYUKSTYGMA-UHFFFAOYSA-N	407.301	4.653	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1ccccc1OCCOc1ccccc1	770197119	JIWUDIFNAHLMBL-UHFFFAOYSA-N	400.837	4.694	50	20	HJGD	
N#C/C(=C\c1ccc2ccc(Br)cc2n1)C(=O)c1ccc2c(c1)OCO2	771521571	SZFKGTIAKCWILJ-VGOFMYFVSA-N	407.223	4.516	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	776616700	QWSYZHLETSLRNX-QFXXMJIKSA-N	407.473	4.729	50	20	HJGD	
C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782911565	WSWMFZGVWLNYOP-GFCCVEGCSA-N	417.421	4.920	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2noc(-c3ccccc3)n2)c1C	784634576	IOVYWGUNYLZAQH-NNIWKIFQSA-N	404.470	4.776	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1	786042630	AHFABJWIMFBYRG-GZTJUZNOSA-N	402.497	4.744	50	20	HJGD	
COc1cc(NNC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)ccc1Cl	788905165	PMHDWCPZXUHFAC-NSHDSACASA-N	417.815	4.677	50	20	HJGD	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)CCCCCl	790465459	VNRMFCGHMLCFSO-UHFFFAOYSA-N	411.795	4.505	50	20	HJGD	
CN(C)Cc1cnc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	794692805	XHVAUFRVCOGJLB-VBKFSLOCSA-N	404.495	4.543	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1	794695415	NWFLEMSSCCHXEL-GRSHGNNSSA-N	417.412	4.538	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccnn2-c2ccc(F)cc2)c(C)n1CC(F)(F)F	794874077	XFDQATYOQVALBB-GDNBJRDFSA-N	416.378	4.782	50	20	HJGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	798367396	CZUHYZNJNMKZHI-QFYYESIMSA-N	403.857	4.698	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl	805383945	VJLOOJLEANJWMO-UHFFFAOYSA-N	418.881	4.688	50	20	HJGD	
COCCOCc1ccc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	809147754	UTCNZZZIPRFEAA-WJDWOHSUSA-N	405.281	4.702	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccccc3Br)cc2)n1	810680166	GSVFNXKZROZOAL-UHFFFAOYSA-N	403.305	4.715	50	20	HJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	815855194	IJDPHQCGWAPEQA-UHFFFAOYSA-N	412.209	4.713	50	20	HJGD	
O=C(NCc1cn2ccsc2n1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	915341228	POKMRVRDUSGXTH-LBPRGKRZSA-N	420.869	4.937	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)Cc2ccccc2Cl)c1C	915631181	ROVHEAUWYNUQNB-XJAIPMTRSA-N	413.949	4.620	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1	916628082	LFGAXDBFQAITGO-INIZCTEOSA-N	407.901	4.505	50	20	HJGD	
COc1cc([C@H](C)NC(=O)NNc2cccc(C#N)c2)ccc1OCc1ccccc1	918232910	WUIICQJQDGPSSM-KRWDZBQOSA-N	416.481	4.533	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCN(c3ccccc3)CC2)c(C)n1CCC(C)C	919699811	HADWBWSKJDZDMW-HAVVHWLPSA-N	418.585	4.843	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]ccc4n3)cc2)CCC1	1789267565	RIPPUCLNZDUNKA-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)CC3CCCC3)CCC2)cc1	1791360206	SFXAPTKYXJRLOC-SFHVURJKSA-N	421.379	4.874	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)C(=O)NC1CCCC1	14204641	IPJFNFBZTNWSGI-XNTDXEJSSA-N	403.313	4.512	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1	18139929	LILLBUSZUNERQT-UHFFFAOYSA-N	411.449	4.514	50	20	HJGD	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)Nc1ccc(C(=O)O)cc1	27058086	LXSZTLKABHWFCL-RVDMUPIBSA-N	419.418	4.567	50	20	HJGD	
Cc1cc(C(=O)CCC(=O)NNc2ccc(Br)cc2Cl)c(C)s1	729276404	DWWMOVTWQCRGTK-UHFFFAOYSA-N	415.740	4.887	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	732112410	XWNDDDXHFLRQAX-HZPDHXFCSA-N	417.494	4.539	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NNc3ncccc3Cl)c2C)cc1	734246294	MZPBXUMNJNSXGB-PDGQHHTCSA-N	405.889	4.501	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	734249195	NQMGHQHOHVEPNS-UHFFFAOYSA-N	404.282	4.546	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1ccccc1Nc1ccc(SC(F)F)cc1	735688321	NZLLCHSSPHEENO-UHFFFAOYSA-N	421.860	4.945	50	20	HJGD	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cccc(Cl)c1	737066962	NKOIVABGOVVXCX-SFHVURJKSA-N	413.930	4.638	50	20	HJGD	
COC[C@@H]1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1	739757795	VEJIMDWHQSWNRM-RXULLKCLSA-N	413.521	4.649	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(CCC(=O)NNc3c(C)cc(C)cc3C)c2C)cc1	743764944	BZKUCYHAPDKUGQ-UHFFFAOYSA-N	404.558	4.858	50	20	HJGD	
Cc1ccc(CCCNC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c(C)c1	744470172	PSNJSMVNQXTCGF-AIAVXMCLSA-N	419.569	4.557	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3ccc(OC(F)F)cc3)s2)cc1	748659856	BYSGVFLBXZSPTN-UHFFFAOYSA-N	419.453	4.876	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(Oc3ncccn3)c2)c1C	751193315	DAYZTNGLQKOIGQ-CPNJWEJPSA-N	402.454	4.610	50	20	HJGD	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1	752303608	WBVJBDOQDHDJCW-IZZNHLLZSA-N	414.489	4.772	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccco1	754144084	UBSJSOBEYLKKJX-UHFFFAOYSA-N	413.352	4.508	50	20	HJGD	
COc1ccccc1OCc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)o1	754148047	FBJWSVDYZBEKCW-UHFFFAOYSA-N	424.350	4.782	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNc3ccc(-c4ccccc4)nn3)c2)cc1	754467812	RTDDZAJCJQIJMO-UHFFFAOYSA-N	407.433	4.564	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1ccccc1Oc1cccc(F)c1	756166789	OWXWLJUTHMGYJU-UHFFFAOYSA-N	416.412	4.633	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc(-c2cc(Cl)cc(Cl)c2)s1	759297115	BYLOKWAOSRGPFM-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
O=C(CCc1nc(-c2ncccn2)no1)Nc1cccc(S(F)(F)(F)(F)F)c1	762527369	AVEDONRBWUNROS-UHFFFAOYSA-N	421.351	4.755	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1csc(-c2cccc([N+](=O)[O-])c2)n1	763615490	FYLBWMDHTAUNMB-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccccc1NCc1ccco1	764096796	SMOAFAKZTPITCL-UHFFFAOYSA-N	408.527	4.647	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c1C	765323953	VQEJJVOSPFWXJY-NIEXSRPFSA-N	405.542	4.849	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(F)F)ccc1Cl	769338801	UHGGOIPIPNVGKY-UHFFFAOYSA-N	408.619	4.666	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3cnoc3C3CC3)c2C)cc1	773426792	DIJAJBJDTASRID-ODLFYWEKSA-N	417.465	4.619	50	20	HJGD	
CN(C)CC[C@@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(C)(C)C	777949568	HMSUHJBSTUDYNF-CQSZACIVSA-N	424.501	4.989	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CCCCCc2ccc(F)cc2)c1C	779380103	LJJKFBCYRNKHTC-UHFFFAOYSA-N	407.493	4.541	50	20	HJGD	
O=C(NC[C@@H](c1ccccc1)C(F)(F)F)NNc1ccccc1OC(F)(F)F	779661109	NAMUFVCWHRGZIV-LBPRGKRZSA-N	407.314	4.557	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)c2nc(O)c3cc(Br)ccc3n2)cc1F	780005047	RLUHRYNBEMRYJF-KPKJPENVSA-N	414.234	4.700	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)CCCCCNC(=O)NC2CCCCC2)cc1	780802025	BSRRPZDRQWREOQ-UHFFFAOYSA-N	402.583	4.620	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C	782042625	REHYZWGAEDKTNR-UHFFFAOYSA-N	420.252	4.500	50	20	HJGD	
CCN(CCc1ccccn1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982539	INJJJCPQNBYOJA-UHFFFAOYSA-N	416.437	4.992	50	20	HJGD	
CCN(Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1)C(=O)OC(C)(C)C	786944495	YFAAQUZTAFEXFI-UYRXBGFRSA-N	421.497	4.695	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)c1C	794101796	YGSCPMRPDMGPKG-PDGQHHTCSA-N	424.476	4.546	50	20	HJGD	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)OC(C)(C)C	797609296	XUPDNZKWOQXUAQ-UHFFFAOYSA-N	414.289	4.941	50	20	HJGD	
C=CC[C@H](CC)NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12	798496150	UZJQQNZYBNLBOM-SFHVURJKSA-N	402.498	4.509	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1[nH]ccc1-c1c(Cl)cccc1Cl	799524011	GZLMPICJRDKUTI-UHFFFAOYSA-N	413.264	4.545	50	20	HJGD	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	809302535	BATITGYSNSDEEK-RAUCFSQZSA-N	423.557	4.838	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c1	810453248	QJTSLJRFNSXUJD-QGOAFFKASA-N	411.527	4.754	50	20	HJGD	
O=C(NN=C1CCC(c2ccc(O)cc2)CC1)c1ccc(F)cc1Br	814811608	MRRAEYLJTDVHJL-UHFFFAOYSA-N	405.267	4.737	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc(Cl)ccc1OC1CCCC1	857545575	HBTYALQEQHMCHB-UHFFFAOYSA-N	409.317	4.985	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)cc1	864797270	VMCJESMHBNOCDU-STZFKDTASA-N	412.493	4.907	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1	915660938	SBZQORPNEXXRKH-UYRXBGFRSA-N	415.468	4.929	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNC(=O)CC(C)C	916344392	UPXSRUQUCUXONH-UHFFFAOYSA-N	401.725	4.696	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)N[C@H](CC(C)(C)C)c3ccccc3)n[nH]2)cc1	916518174	KOLBFHZTNHJZIM-OAQYLSRUSA-N	419.529	4.507	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3ccncc3)s2)cc1Cl	916540426	WRGLEECPTYAELU-UHFFFAOYSA-N	406.298	4.661	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNC(=O)NCc2cc3ccccc3o2)cc1	916646364	JDNPQWZGZVGRJM-UHFFFAOYSA-N	409.486	4.536	50	20	HJGD	
Cn1cc(C(=O)NNC(=S)Nc2ccccc2Oc2ccccc2)c2ccccc21	917573408	UEHMGJDTBKVFEW-UHFFFAOYSA-N	416.506	4.602	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc1	919719877	HIPSKFBAPSZAEK-ZHZULCJRSA-N	412.493	4.831	50	20	HJGD	
Cc1nc(N2CCCCC2)sc1C=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	1248410627	KQIGYHSYEPLXST-KRWDZBQOSA-N	422.554	4.513	50	20	HJGD	
Nc1ccc(C=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)c(Cl)c1	1327706390	NBZKJQRWNZYGSS-UHFFFAOYSA-N	405.310	4.650	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3CC)CCC2)cc1	1786442818	RECQCXNVJBNUNO-LJQANCHMSA-N	413.949	4.799	50	20	HJGD	
CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)cc1	1814697706	WZEPXJHNPLXJMA-GOSISDBHSA-N	416.953	4.543	50	20	HJGD	
CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@](C)(Cl)CCl)CC1	1830257238	KZSKSUMQAZCFHP-GHTZIAJQSA-N	417.421	4.589	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NNc1ccccc1[N+](=O)[O-]	14217620	NTHYMUXVMZANSJ-UHFFFAOYSA-N	421.240	4.633	50	20	HJGD	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1	16409080	YRJADOSHJXHFIS-MDWZMJQESA-N	420.437	4.573	50	20	HJGD	
COC(=O)c1cc(-c2csc(NC(=O)CCCC[C@H]3CCSS3)n2)c[nH]1	26208397	LVAGLFNQLCCKNL-LBPRGKRZSA-N	411.574	4.577	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1OC(F)F	207926948	TZPIHLQPJWPMDW-WQLSENKSSA-N	412.314	4.861	50	20	HJGD	
CCOc1ccc(OCC)c(NC(=S)NNC(=O)CCCC2CCCCC2)c1	727495401	ZXCWJTCUNYAPQJ-UHFFFAOYSA-N	407.580	4.552	50	20	HJGD	
COC(=O)c1ccc(-c2ccc(C=NNC(=O)c3c(Cl)cccc3Cl)o2)cc1	727781476	OEZOVFMXUSVTMG-UHFFFAOYSA-N	417.248	4.804	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCc2nc3cc(Cl)ccc3s2)cc1C	730595742	BXADXEFPULBNSA-UHFFFAOYSA-N	418.975	4.517	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)N(CC(F)(F)F)C1CC1	732714619	BBGXTCCLCYEPIZ-YVLHZVERSA-N	418.390	4.865	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)o2)cc1	732978055	DYSKDYXSLWWHHF-UHFFFAOYSA-N	422.828	4.610	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)c1C	733248784	MFVZTEPONUDCFB-FUEBBJGZSA-N	419.569	4.761	50	20	HJGD	
Cc1cc(NS(=O)(=O)c2ccc(CCCl)cc2)ccc1OCC(F)(F)F	737756567	HGCDQJLNJUVXAT-UHFFFAOYSA-N	407.841	4.518	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)c1C	738507463	ORKOSSOSUPPCDZ-CYBMUJFWSA-N	409.477	4.519	50	20	HJGD	
CCOc1cc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)cc(Cl)c1OC	741771345	RPQJWNJXYGNUDY-UHFFFAOYSA-N	413.808	4.504	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2ccccn2)c(C)n1-c1ccc(F)cc1	743656079	YEENPRBSRZIMOT-HJHGFDQJSA-N	402.473	4.755	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)c(C)c1	743764050	IMBXLOLZGUKOHZ-UHFFFAOYSA-N	405.836	4.540	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)c(C)c1	743764152	BUSQFMSSUMOELB-UHFFFAOYSA-N	414.509	4.904	50	20	HJGD	
C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CCCCC1	743925050	YWASZXJOMFLKDH-APPDUMDISA-N	422.900	4.929	50	20	HJGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1	747003501	IHTXLQBGENEYAJ-GRSHGNNSSA-N	416.444	4.512	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cc4cccc(C)c4o3)cc2)cc1	747206761	SYVYWICSQNFWPN-UHFFFAOYSA-N	420.490	4.639	50	20	HJGD	
CCCCCn1nc(C(=O)NNc2ccc(Cl)cc2Cl)c2ccccc2c1=O	748018811	NIEZTAVTLMCLQW-UHFFFAOYSA-N	419.312	4.650	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1cccc([N+](=O)[O-])c1C	748671090	YRCDIBXJMMEYHL-UHFFFAOYSA-N	408.892	4.807	50	20	HJGD	
O=C(CC1CCCC1)NC1CCC(C(=O)NNc2cc(Cl)ccc2Cl)CC1	752813007	OTXPKQWSFPQISE-UHFFFAOYSA-N	412.361	4.692	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1cc(-c2ccccn2)ccc1Cl	754826262	LGZAZGGCKLLXSL-UHFFFAOYSA-N	415.880	4.559	50	20	HJGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@@H]1C	758098294	CCNHFBIQXNEDES-SUMWQHHRSA-N	402.491	4.639	50	20	HJGD	
Cc1ccc(-n2cc(/C=C(\C#N)c3nnc4n3CCCCC4)c(C(C)(C)C)n2)cc1	759118792	DIKZQSDRTZUXQU-NBVRZTHBSA-N	400.530	4.860	50	20	HJGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762519444	UIUMRPSMZLPSGY-UHFFFAOYSA-N	409.336	4.745	50	20	HJGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1Br	765614176	SFSVXHBNYWEEQI-NVNXTCNLSA-N	407.227	4.878	50	20	HJGD	
Cc1nc(COc2ccccc2C(=O)NNc2ccnc3cc(Cl)ccc23)cs1	767227690	UGMFHERVYMXHTE-UHFFFAOYSA-N	424.913	4.989	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCCC2(C1)OCCO2	767558783	FBRUVENGQAKPQO-RISCZKNCSA-N	424.872	4.713	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Br)c1)C(=O)c1ccc2c(c1)OCO2	768269471	UDWHPDQRADISSG-LFYBBSHMSA-N	422.181	4.569	50	20	HJGD	
CN(C(=O)c1ccc(NC(=O)NNc2ccccc2)cc1Cl)C1CCCCC1	769973892	KJVVLCUEXDWOCA-UHFFFAOYSA-N	400.910	4.893	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	771291941	NQZRMGKQBBGZSM-NXEZZACHSA-N	401.326	4.670	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cs1)C1CC1	773154467	YQUYMTZODBLESP-WUXMJOGZSA-N	423.391	4.606	50	20	HJGD	
CC(C)CSCCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773439381	HQCJHDSKSGMSFC-UHFFFAOYSA-N	406.442	4.788	50	20	HJGD	
O=C(NNc1ncc(F)cn1)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12	775693789	AEHGVJTVBCZJJT-UHFFFAOYSA-N	424.823	4.758	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccn2Cc2ccccc2C#N)cc1Cl	782197251	GFSGVHRAWCPTRT-WQRHYEAKSA-N	416.868	4.616	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)C(=O)Nc1ccc(Cl)cc1-c1ccccc1	785995630	ZQNFUDRKYXEXOP-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
C[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1nc(C(F)(F)F)cs1	786150899	IOYHLWQYMOZGAO-HNNXBMFYSA-N	424.428	4.827	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	787323201	ASUOQHFHIFPSSA-WNOSOOIWSA-N	415.468	4.780	50	20	HJGD	
Cc1cc(C)nc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	787343098	RTLSWPJIHODHGC-ZDLGFXPLSA-N	405.889	4.700	50	20	HJGD	
O=C(NCc1ccc(NC(=O)c2ccco2)cc1)NNc1cc(Cl)cc(Cl)c1	790135950	VEOZFBUQCGOINY-UHFFFAOYSA-N	419.268	4.665	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cn2cc(Cl)cc(Cl)c2n1	799712106	XZTUEEDYBLJJOG-UHFFFAOYSA-N	407.154	4.556	50	20	HJGD	
CCCN(NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)C(=O)OC(C)(C)C	804593136	VEYJHWPTCFVCPV-UHFFFAOYSA-N	418.519	4.684	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1nccnc1C1CCC1	805462317	GAFBGDYHLRSYCY-UHFFFAOYSA-N	424.508	4.662	50	20	HJGD	
CCc1nn(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c(=O)c(C#N)c1CC	806590621	XMIONKIEOOMCPN-UHFFFAOYSA-N	411.622	4.810	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn2ccc(Br)cc2n1	811686113	NTNSWUQYFBUWBQ-KPKJPENVSA-N	415.678	4.604	50	20	HJGD	
Cc1ccc(-n2c(N(C)C)nc(/C=C(/C#N)c3nc4ccccc4n3C)c2Cl)cc1	913619870	YWJMCIHQWNWGLN-SSZFMOIBSA-N	416.916	4.851	50	20	HJGD	
Cc1ccc(NNC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)cc1	916162731	ISAQWEKGADAREG-UHFFFAOYSA-N	403.313	4.790	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cs1	916324093	YGKRIEKSEZHPCI-UHFFFAOYSA-N	420.538	4.889	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(F)cc1Br)c1ccccc1OC(F)F	916409630	JJHGRHUZMDMWJV-VIFPVBQESA-N	418.213	4.577	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cccs1	917596476	UORRCKJSSKFCKH-CZIQQLCMSA-N	410.539	4.938	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCCc1ccc(F)c(Br)c1	918371824	PNDMJTWQSQEWMG-ZDUSSCGKSA-N	406.386	4.961	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2cc3ccccc3s2)c1C	920473741	WQNFXNILMOMKGW-OBLBUWMUSA-N	407.539	4.750	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	1318682349	GNUTWJXZIJMIMX-UHFFFAOYSA-N	410.264	4.756	50	20	HJGD	
COc1ccc(C(=O)NNC(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)cc1	1319024919	KPFHZOZQQLEBDC-OAQYLSRUSA-N	423.538	4.614	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@H]2OCCC[C@H]2C1	1338424812	XHLMAJDTIKGBHJ-SMDDNHRTSA-N	407.426	4.534	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc(OC2CCC2)c1	1344086296	HCFZMDCQZCSMHB-UHFFFAOYSA-N	419.325	4.807	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3[nH]cc4c3CCC4)CCC2)cc1	1786012372	ADTVFFOFYPQWIL-UHFFFAOYSA-N	413.949	4.516	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3F)CCC2)cc1	1790488397	NJSVTIOXSTULEL-SFHVURJKSA-N	420.887	4.659	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](C)CC2)n[nH]1	1822941568	NAYZSPVHEBSRDD-YFHUEUNASA-N	408.974	4.636	50	20	HJGD	
O=C(NNC(=O)c1ccccc1SCc1cccs1)c1cc2c(s1)CCC2	15720377	DXTICCVXLKCBJT-UHFFFAOYSA-N	414.577	4.665	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cc2ccccc2nc1N1CCOCC1	21190195	LRAMUGQXDGJMNK-HMMYKYKNSA-N	422.488	4.651	50	20	HJGD	
Cc1occc1-c1nnc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)o1	23894454	MTIAYXNFJYVINM-RJYNFHTFSA-N	410.480	4.641	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(CC#N)cc3)c2C)cc1	26083656	HUUSATGZQNMTFI-RCCKNPSSSA-N	410.477	4.715	50	20	HJGD	
CCCc1noc2nc(C3CC3)cc(C(=O)NNc3cccc(Br)c3)c12	195593057	QVHVHNIIESDKQD-UHFFFAOYSA-N	415.291	4.572	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2cccnc2)c(C)n1-c1ccccc1F	195722092	UZHIBNJWYCKZGX-RSZPVBOMSA-N	402.473	4.755	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)c1ccc2c(c1)OCO2	207000207	QVXWZMBOYHAZRV-ZROIWOOFSA-N	404.403	4.842	50	20	HJGD	
CC[C@H](C)C(C)=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1	254854022	KWPRETHAHLXZEE-INIZCTEOSA-N	407.543	4.565	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1c2ccccc2C[C@H]1O	726847840	JWGZHIHILFMGKZ-KBMXLJTQSA-N	416.852	4.686	50	20	HJGD	
C[C@H](Oc1ccccc1Cl)C(=O)NNc1ccc(Br)cc1Cl	729277132	ZAFJAXHMSZDSJM-VIFPVBQESA-N	404.091	4.667	50	20	HJGD	
N#Cc1ccccc1OCc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)o1	729515039	UONJCJPPTLXOCK-UHFFFAOYSA-N	418.840	4.689	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NN=c2cc[nH]c3ccccc23)c(C)n1C1CCCCC1	730288561	LBRUGQLNZSCHEM-HKWRFOASSA-N	413.525	4.631	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	731489196	ADTQWOPWINWEFC-QPEQYQDCSA-N	404.221	4.933	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccccc1	732785072	VLDQBLMIIWMASL-MOSHPQCFSA-N	414.461	4.828	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1ccc(NC(=O)NC(C)C)cc1	741766434	VCGCSJVIUYVIEV-UHFFFAOYSA-N	401.898	4.724	50	20	HJGD	
O=C(Cc1coc2cc3c(cc12)CCC3)NNc1c(F)cc(F)cc1Br	741980470	JYLMAPBFYYJIPT-UHFFFAOYSA-N	421.241	4.648	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)sc1C	743782997	LBXONAZDGTWUST-ZDLGFXPLSA-N	408.502	4.530	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2c(CC)cccc2CC)cc1	744572219	XXWBPIBRIQMGIQ-VKZJTJHYSA-N	420.509	4.687	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccccc3F)c2)cc1	748059638	YIOCGLGDLGFCBJ-UHFFFAOYSA-N	406.457	4.683	50	20	HJGD	
O=Cc1cccc(OCc2ccccc2C(=O)NNc2cccc3c2CCCC3)c1	748587717	BCYKXODEUDOZGO-UHFFFAOYSA-N	400.478	4.714	50	20	HJGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)o1	749450728	DBCKYIXHIZMHCA-DHDCSXOGSA-N	421.478	4.661	50	20	HJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)Nc3ccccc3Br)co2)cc1	749892024	QSFRYDBDNOYLRD-GDNBJRDFSA-N	408.255	4.958	50	20	HJGD	
N#C/C(=C/c1cnc(-c2cccs2)s1)C(=O)Nc1nc(-c2ccncc2)cs1	751512602	JEGNRIMUENHBQG-JYRVWZFOSA-N	421.532	4.936	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)c(C)n1CC(C)C	755377606	PPAQVANWIPCVPT-JAIQZWGSSA-N	419.504	4.764	50	20	HJGD	
O=C(NCC1Cc2ccccc2C1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762658493	LTKXTMJQDMCNEX-UHFFFAOYSA-N	420.403	4.814	50	20	HJGD	
CO[C@]1(C)C[C@@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1(C)C	762666953	RUECXOPCEKJZHL-MLGOLLRUSA-N	416.412	4.602	50	20	HJGD	
CC(C)[C@H](CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCOCC1	762978754	QHRNWEXUOXSRIZ-HNNXBMFYSA-N	417.444	4.822	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)C(=O)Nc1ccc(F)c(Cl)c1	767887500	IYVSMSYMPYDTSD-CHHVJCJISA-N	415.255	4.923	50	20	HJGD	
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NNc2nc3ccccc3s2)C1	769949594	SKMSGQDBQMUPCH-GJZGRUSLSA-N	423.542	4.563	50	20	HJGD	
C[C@H](OC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1nc2ccccc2n1C(F)F	769981584	IKEZCKBKUGJEHQ-DDWFUNMISA-N	413.262	4.989	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H](Cn2cnc3ccccc32)C1	773107328	VEXMLJRYCQUBMA-MSOLQXFVSA-N	403.617	4.989	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cc(Br)c1O	773155677	WRGWCAVREUVKGM-WCIBSUBMSA-N	410.626	4.746	50	20	HJGD	
CCOc1ccc(-c2nc(CC(=O)NNc3ncc(Cl)cc3Cl)cs2)cc1	775271158	BLQUTXCMHAMLDX-UHFFFAOYSA-N	423.325	4.596	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)cn1)c1ccccc1	775276057	ZRQRVQABYIOKTA-LBPRGKRZSA-N	403.269	4.680	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc2oc(C(F)(F)F)nc2c1	775586962	WCDLIOIAXMMHCK-UHFFFAOYSA-N	406.151	4.697	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1	775620406	GRVMNBBVFHOKQZ-UHFFFAOYSA-N	405.845	4.613	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)c1ccc(OC(F)F)cc1	776259675	OLSUQCWWDOQYOQ-RQZCQDPDSA-N	413.811	4.976	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)NNc3ccc4ccccc4n3)cccc21	779053690	JEANLOBXGWBFOF-UHFFFAOYSA-N	418.497	4.679	50	20	HJGD	
CC[C@H]1C[C@@H](CC(=O)NNc2c(Cl)cc(Br)cc2Cl)CCO1	781684992	RIQFWNCCEJLIQQ-ONGXEEELSA-N	410.139	4.794	50	20	HJGD	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NNc1cc(F)c(F)cc1F	782755424	XMLPYGWFANSAJU-UHFFFAOYSA-N	415.293	4.843	50	20	HJGD	
CN(C)c1ccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	782980933	VJUCTVLNAXVLNR-UHFFFAOYSA-N	416.437	4.889	50	20	HJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1Br	783688455	KVGNLBHJOHYPHI-YRNVUSSQSA-N	406.623	4.556	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1Cl	787146134	VROGYYZDWFRLHW-KWZJRMENSA-N	415.324	4.773	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccc2[nH]ccc2c1	789671892	MCAKCGYFXHGTST-RQLGBQGVSA-N	416.525	4.725	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(/C#N)C(=O)c3ccc4ncccc4c3)cnc12	794965602	WMFIVTCYZYIXID-SXGWCWSVSA-N	417.266	4.743	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCOC[C@H]1c1nc2ccccc2s1	800629666	WEYBABXJLIGOBH-ZBFHGGJFSA-N	408.614	4.910	50	20	HJGD	
COc1cc(NNC(=O)c2cc(C)c(Br)c(Cl)c2)ccc1Cl	803262143	UBPGYRZCPWVKRY-UHFFFAOYSA-N	404.091	4.830	50	20	HJGD	
C/C(N)=C(/C#N)c1nc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1	811632864	CNWKXHHSBPYLHD-JXMROGBWSA-N	400.813	4.589	50	20	HJGD	
N#C/C(=C/c1cc2ccccc2nc1N1CCCCC1)C(=O)Nc1ccccc1F	915843351	DUFJLMUSJSMZAS-CYVLTUHYSA-N	400.457	4.910	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccccc3)c2C)cc1Cl	915848641	HCTMORMEJMEEQF-WQRHYEAKSA-N	420.900	4.756	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2)c1C	920006123	KRZITRSCQATBCX-YIRPMMGJSA-N	406.530	4.589	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(OC)ccc2Cl)c1C	920817367	NSPWTDFUQRWSPU-DUPVFGOHSA-N	401.894	4.520	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)[C@H](C#N)c2nccn2Cc2ccccc2)c1C	1122706570	KQSWFUIBCNVJQO-DZSAKIAFSA-N	411.509	4.543	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@@H]2OCCC[C@@H]2C1	1253191127	VYVNZDKKZSEBRW-ZLDLUXBVSA-N	408.873	4.939	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(-c3cccc4ncccc34)o2)c1C	1257876464	ISANLKFJSCPEEL-PUMYGXPMSA-N	413.481	4.975	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)c(C)n2C1CC1	1319482794	OYDAUFQTKBWIJO-UHFFFAOYSA-N	414.849	4.612	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccn(C(C)C)n3)CCC2)cc1	1786447030	MRKHMZGUJNWXOG-SFHVURJKSA-N	416.953	4.619	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1	1787618444	JIGFILMSGGHUNY-FQEVSTJZSA-N	411.373	4.937	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@]3(F)CCCCC3(F)F)cc2)CCC1)[C@H](F)Cl	1789164064	ICGXRWOHGFYRDF-KBXCAEBGSA-N	420.834	4.573	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OC(C)C)cc1Cl	57398675	LVHYZQRXPYSCIR-GDNBJRDFSA-N	400.862	4.690	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(COCCc2ccccc2)c1	303507714	BQZOEZXZMGWKNJ-UHFFFAOYSA-N	411.933	4.750	50	20	HJGD	
O=P(CCN1CCCC[C@H]1[C@H](O)c1ccccc1)(c1ccccc1)c1ccccc1	726975301	VLWVYPHYSSJXER-IZZNHLLZSA-N	419.505	4.589	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1	727843978	XWLRHHPOAOIUGS-VIFPVBQESA-N	420.218	4.717	50	20	HJGD	
N#C/C(=C/c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1Br	727974397	JPNZCOPHGKAFPF-WQLSENKSSA-N	411.177	4.893	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1	729272180	MABVRHCTJJQLSU-UHFFFAOYSA-N	408.845	4.551	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@@H](CC1CCCCC1)c1ccccc1	730127305	OFRCZGQQSKCPND-QHCPKHFHSA-N	416.525	4.891	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2occc2C(=O)O)cc1)C(=O)c1c[nH]c2ccccc12	730952480	XEWVTYLWMZCRHV-LFIBNONCSA-N	412.401	4.828	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)c2cc(Cl)ccc2OC)c1C	733938130	DXGIZWITWRSYGV-ZNBBLSJYSA-N	415.921	4.544	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(COc2cccc(F)c2)c1	733952104	UKGLDYMFTMFHOG-UHFFFAOYSA-N	415.808	4.723	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cccc(Oc2nccs2)c1	736674212	AFGYLPAEMXKGII-UHFFFAOYSA-N	412.540	4.690	50	20	HJGD	
CC(C)=CCSc1ccccc1C(=O)NNC(=O)CCSc1ccc(F)cc1	741206619	AWAQKMIFXSGUCL-UHFFFAOYSA-N	418.559	4.827	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1	742765182	DUYPTAHDXBJNQT-SDXDJHTJSA-N	422.481	4.969	50	20	HJGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	743288805	GRHUARDZIBHFMU-CYBMUJFWSA-N	408.329	4.833	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c(C)c1	743763038	UCUJFFHRABCEMP-UHFFFAOYSA-N	413.319	4.625	50	20	HJGD	
O=C(/C=C/c1ccc2ccccc2n1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743827243	VITIPOJGVSCVKM-WUKNDPDISA-N	408.461	4.768	50	20	HJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3ccc(C(F)(F)F)cc3)c12	747608969	HBKUKMWNMZWPNL-UHFFFAOYSA-N	404.392	4.999	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccccc2Br)cc1NC(=O)OC(C)(C)C	748065991	KPGUAQPJXJGAMH-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc2cc(Br)ccc2o1	748066736	XDZIDUZHJJBOTL-UHFFFAOYSA-N	410.065	4.715	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1F)c1ccc(Br)s1	748191739	RXAQUCPIQCSXKM-ZETCQYMHSA-N	422.117	4.659	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc1	753023158	KNPNUBYVJRNZTM-AQTBWJFISA-N	419.456	4.679	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn(-c2cccc(C)c2)c1C	753167944	FRCVUZKGAPRJKJ-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cccc(NC(=O)c2cccs2)c1	754147316	JFBRFIWNLNFOEP-UHFFFAOYSA-N	423.391	4.915	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)Nc3ccc(Oc4ccccn4)cc3)cc2C1	756568099	BAAGJFPZWNBWNO-AWEZNQCLSA-N	422.510	4.527	50	20	HJGD	
C[C@@H]1CN(CCCNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCO1	763854913	OTQHUHVIXYXWOS-CYBMUJFWSA-N	417.444	4.966	50	20	HJGD	
N#C/C(=C/c1sccc1Br)C(=O)Nc1nc(-c2ccncc2)cs1	764886610	JDOUYLLKJXBNJT-XFFZJAGNSA-N	417.313	4.575	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12	765177297	CPNLYCQIPAAVEQ-UHFFFAOYSA-N	412.421	4.727	50	20	HJGD	
CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NNc3cccc(C(F)(F)F)c3)cc2C1	769606320	QXUCUEPAYLFWRW-UHFFFAOYSA-N	421.419	4.713	50	20	HJGD	
Cc1ccc(F)cc1-c1nnc(NC(=O)NNc2ncc(Cl)cc2Cl)s1	791900451	ATUQMYJCWRWYHX-UHFFFAOYSA-N	413.265	4.503	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cccnc1N1CCOCC1	792548726	WCLKOHIOOCGJQU-UHFFFAOYSA-N	409.380	4.828	50	20	HJGD	
C[C@]12CCN(CCP(=O)(c3ccccc3)c3ccccc3)C[C@@H]1C2(Cl)Cl	792914775	XRDLZTZNLXUZMT-PMACEKPBSA-N	408.309	4.516	50	20	HJGD	
CN(C)Cc1cnc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	794692801	XHVAUFRVCOGJLB-FOWTUZBSSA-N	404.495	4.543	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccc(F)cc1OC1CCOCC1	806646989	GSRPNYOMFLXICH-UHFFFAOYSA-N	414.264	4.839	50	20	HJGD	
CN(Cc1ccc(OCCCCl)cc1)[C@@H](c1cccc(F)c1)c1cnn(C)c1	811460424	JSIRFINLWUNAAO-QFIPXVFZSA-N	401.913	4.788	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(C#N)cc1C(F)(F)F)c1cccc(Br)c1	812564360	UDIAMMYMIDOXAY-JTQLQIEISA-N	412.209	4.586	50	20	HJGD	
O=C(Cc1ccc(F)cc1)NN=Cc1sc(Sc2ccccc2)nc1Cl	814757056	LAFRBJRKDLKMRF-UHFFFAOYSA-N	405.907	4.780	50	20	HJGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	844152046	BHNKYEUBFRZXKH-YBEGLDIGSA-N	404.278	4.517	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C2CCC(C)CC2)C2CC2)c(C)n1C[C@H]1CCCO1	914487419	JQRLWWAQODSFTO-CFAJUKJUSA-N	409.574	4.761	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2OC(F)F)c1C	914506671	CPLRPKGRGOQEEQ-PWDRBQJJSA-N	401.457	4.901	50	20	HJGD	
CCNC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	915175592	PEJAQSXQRWUMCW-HMMYKYKNSA-N	418.541	4.906	50	20	HJGD	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)Nc1ccc(Cl)cc1Cl	915879429	QNWMWGKHUPEMTO-UHFFFAOYSA-N	420.252	4.632	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)c3occc3C)cc2)CCC1	1788694587	LWZWTJLNWQZUTC-MRXNPFEDSA-N	419.319	4.509	50	20	HJGD	
CCCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](Cl)CC)n[nH]2)cc1	1820858142	KIRXTFMUYSONOW-HKUYNNGSSA-N	416.953	4.686	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1	1824009990	COSMQACRTLXRHW-PMACEKPBSA-N	422.972	4.582	50	20	HJGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)c1ccc2c(c1)OCO2	59270917	MNJNXDLTZWYFQO-DHDCSXOGSA-N	404.403	4.842	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(N)c3ccccc3n2)ccc1OCc1ccccc1	97046309	LKKGZJRFGORZQJ-UYRXBGFRSA-N	408.461	4.864	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OC	215874159	SQZILVHZMPPVBX-GHXNOFRVSA-N	421.678	4.665	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c1C	727717963	FPTONCQWWYODKI-NURJGKTBSA-N	409.534	4.586	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc(Br)s2)ccc1Oc1cccnc1	732711900	WWHACGXTCRDIFH-UHFFFAOYSA-N	416.300	4.770	50	20	HJGD	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NNc1ccc(Br)nc1	732836542	JYSUVPSDKLZESJ-MRVPVSSYSA-N	421.147	4.775	50	20	HJGD	
CN(C[C@@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1)C(=O)OC(C)(C)C	742882375	HKRXBSWVJRSSLD-JKSUJKDBSA-N	402.626	4.558	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccon2)c(C)n1-c1cccc(C(F)(F)F)c1	744548400	NMSUTTFCOBCEGG-CXUHLZMHSA-N	415.371	4.751	50	20	HJGD	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNc1cccc(C#N)c1	748029640	LQIFGQDIAVDDJS-UHFFFAOYSA-N	410.886	4.591	50	20	HJGD	
Cc1ccccc1-c1cc(C(=O)NNc2ccccc2F)c2cnn(C(C)C)c2n1	748050133	FJHRUFKFCHXZAW-UHFFFAOYSA-N	403.461	4.884	50	20	HJGD	
O=C(NNc1ccccc1F)c1ccccc1C(=O)c1ccc(Br)cc1	748057448	XSPJYPWUVWPZSU-UHFFFAOYSA-N	413.246	4.576	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccc(Oc2ccccc2)nc1	748077122	FMNWMXJWQIJCQZ-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(Br)cc(OC(C)C)c1	752409195	SYEAGNGOFDMLBE-UHFFFAOYSA-N	414.731	4.541	50	20	HJGD	
CC(C)CC(C)(C)CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	752761288	MSXXJRQLIMPQTL-MOSHPQCFSA-N	403.530	4.559	50	20	HJGD	
CCCn1nc(C)c(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1C	755512370	HWQXTAYGUBNKCL-UHFFFAOYSA-N	424.932	4.906	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)Nc1cccc(C2SCCS2)c1	755535445	OCZNZPBQKHTYPF-UHFFFAOYSA-N	409.536	4.785	50	20	HJGD	
Cc1cc(NNC(=O)c2c[nH]nc2-c2cccc(Cl)c2)ccc1Br	755805047	SZIYCJRZUPOZHD-UHFFFAOYSA-N	405.683	4.558	50	20	HJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC)c(O)c2Br)c1C	761014477	GCMPQBUTKMPXSF-XNTDXEJSSA-N	417.303	4.782	50	20	HJGD	
Cc1ccc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)s1	762634132	JKMGTBYVDZHYNN-UHFFFAOYSA-N	400.394	4.969	50	20	HJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2ccnc(Br)c2)c1	771537108	FBGZWOVXTKDDMQ-UHFFFAOYSA-N	406.349	4.944	50	20	HJGD	
N#Cc1ccc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c(F)c1	772832695	JTEVPLNHONRDSQ-UHFFFAOYSA-N	407.832	4.694	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2sc(CCOC)nc2C)c1C	773915771	VJBZIUHNLVZVRZ-LSPINASFSA-N	415.559	4.680	50	20	HJGD	
O=S(=O)(N[C@@H]1CCO[C@H](C2CC2)C1)c1cccc(S(F)(F)(F)(F)F)c1	778072202	HOWYIJMEQAUEDL-RISCZKNCSA-N	407.426	4.580	50	20	HJGD	
COc1cc(C(=O)NNC(=S)Nc2ccccc2C(C)C)cc(OC)c1C(C)C	781423040	TWHKZORKDTWVPS-UHFFFAOYSA-N	415.559	4.582	50	20	HJGD	
COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)NNc1ncc(Cl)cc1Cl	787462084	NFBLLIJBJINOKY-SECBINFHSA-N	419.696	4.604	50	20	HJGD	
C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	796381640	XBHPZRBMJHWXSH-KNQAVFIVSA-N	404.671	4.503	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1OCc1cn2ccccc2n1	799758770	ASEVDGNHRMZADB-UHFFFAOYSA-N	400.482	4.541	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cc(Cl)ccc1SC1CCCC1	803436096	GSEZFZIJVFGFAN-UHFFFAOYSA-N	413.930	4.973	50	20	HJGD	
CCOC1CC2(CCN(C(=O)/C(C#N)=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2)C1	804629801	KBPOZZKFWPRZNO-UDWIEESQSA-N	421.516	4.558	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C	805385905	ZTJLMOQKJOKTSW-UHFFFAOYSA-N	420.347	4.642	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc3cccnc23)c1C	808438622	IJSWYHUSFQCFOF-MTEVNVADSA-N	403.482	4.511	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1Cl	810281945	IDRQUFDDMQUMIC-UHFFFAOYSA-N	409.833	4.556	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cn2ccc(Br)cc2n1	811686017	LAPCYXYFEXNYSI-MDWZMJQESA-N	405.255	4.676	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1	817908796	OKEUIYPMPVJMMG-UHFFFAOYSA-N	407.518	4.528	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)c1C	819020901	UTSBJRDMRWZYPX-XSFVSMFZSA-N	404.514	4.576	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(SC(F)F)cc1)c1cccc2ccccc12	913478932	IXNHPFAZELZQAH-UHFFFAOYSA-N	403.479	4.786	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3ccccc3nc2N2CCCCC2)cc1	915850827	FOCKMISPRNMKEI-SILNSSARSA-N	412.493	4.779	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cccc(OCc2ccccc2F)c1	920364781	VMSXDACQVHUSAY-UHFFFAOYSA-N	401.441	4.579	50	20	HJGD	
Cn1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1	1327884915	BEUQDIRBCZONJQ-UHFFFAOYSA-N	419.247	4.838	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)nc3F)CCC2)cc1	1786441787	BKAFLAYFOWRAMV-MRXNPFEDSA-N	421.875	4.515	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1	1786443864	KNJWJOVBORDAOQ-GOSISDBHSA-N	415.921	4.707	50	20	HJGD	
Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)s1	1788582562	OCWRCXKCXDIGRH-SFHVURJKSA-N	408.926	4.658	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)[nH]n1	1815317881	LBUCYIXWVODOIY-NYQNCTAXSA-N	414.937	4.523	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C)CCCCC2)n[nH]1	1822328365	PWHVVBHIJVSTNJ-DOTOQJQBSA-N	408.974	4.780	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830348133	ZNHNYOUUSVEDED-GOHIESPPSA-N	409.014	4.760	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)CC1	1832400887	CASFNDWRXBJEPZ-XXBNENTESA-N	409.014	4.618	50	20	HJGD	
N#C/C(=C\c1sc2ccccc2c1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1	17474828	TXDCUUWBCLJGJZ-FYWRMAATSA-N	423.925	4.937	50	20	HJGD	
N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1nccs1	18908538	WPFGZVLVCBSIHB-FMIVXFBMSA-N	400.257	4.711	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	726865298	XDCVOLBZKKNAEQ-STQMWFEESA-N	418.752	4.519	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccc(CSc3ccccc3)cc2)c1	727498040	PXFAUOBRUGUYOH-UHFFFAOYSA-N	417.559	4.592	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccsc2)n1)c1cc(F)ccc1Br	728436799	SSMJFVMDCIGVBD-UHFFFAOYSA-N	410.293	4.537	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)o1	731342759	XUUSVUXDHXLUNH-UHFFFAOYSA-N	413.437	4.749	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)cc1	732129827	PTDQSKXAPFZQEP-KOMLCTQHSA-N	407.514	4.517	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2C)C2CC2)c1C	732746056	ZTNRLAPLVMRCCQ-NZGQIRARSA-N	405.542	4.795	50	20	HJGD	
CCOC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)C1	733763494	XPGDJFLOICUKSK-KURUZVKSSA-N	405.542	4.585	50	20	HJGD	
Cc1ccccc1-c1cc(C(=O)NNc2ncccc2Cl)c2cnn(C(C)C)c2n1	734246207	CRYBLEXFZUIOGF-UHFFFAOYSA-N	420.904	4.793	50	20	HJGD	
CCC[C@H](C(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1	734257988	AMIPVXLFTBZDRE-HNNXBMFYSA-N	415.419	4.584	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	734304734	UVIVAAMLTYPNSY-ATVHPVEESA-N	403.463	4.855	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3cc(F)c(F)cc3F)cs2)cc1	734555048	RTKKGEDONYSBFH-UHFFFAOYSA-N	407.417	4.773	50	20	HJGD	
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NNc1ccc(Cl)nn1	735687193	YFKPOCGWWJVBDP-LJQANCHMSA-N	419.337	4.749	50	20	HJGD	
O=C(NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1)c1ccccc1F	741881783	PHWKRTKQWNYHSA-UHFFFAOYSA-N	408.395	4.508	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](C)c2ccccc2C(F)(F)F)c(Cl)c1	743560150	DCLKVGWEIAHKMT-LLVKDONJSA-N	414.815	4.764	50	20	HJGD	
O=C(NNC(=O)N1CCC[C@@H]1c1cccc2ccccc12)c1cccc2cccnc12	747460139	CUGIQTYPZFWDTI-JOCHJYFZSA-N	410.477	4.580	50	20	HJGD	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NNc1ccc(C(F)(F)F)cc1	747588439	HZDKTOJKKFILQQ-UHFFFAOYSA-N	409.389	4.678	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NNc3cccc(C#N)c3)cc12	748032071	FERQDFWOPKQPIJ-UHFFFAOYSA-N	421.913	4.737	50	20	HJGD	
N#Cc1cccc(NNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1	748033538	YCHKUBRJMMVZLG-UHFFFAOYSA-N	401.253	4.596	50	20	HJGD	
Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)cc1	752033247	BPSRBDKVBAUUQC-UHFFFAOYSA-N	412.493	4.574	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(Br)cc1F	753177309	LSJUAPWZLXQBKC-UHFFFAOYSA-N	416.088	4.670	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1C	754674081	BILKRAFTSRVOFG-GRSHGNNSSA-N	404.518	4.776	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1SC	755031806	JDMSHXBIHVUOQH-UKTHLTGXSA-N	403.301	4.725	50	20	HJGD	
O=C(Cc1ccccc1F)NNC(=O)Nc1ccccc1SCc1ccccc1	755534656	MDYAICIZWUXLAG-UHFFFAOYSA-N	409.486	4.513	50	20	HJGD	
O=C(NN=Cc1cccn1Cc1cccs1)c1ccc(COc2ccccc2)o1	755580892	HJOXZSWXKHDEEU-UHFFFAOYSA-N	405.479	4.534	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2O[C@H]2CCOC2)c(C)n1CCC(C)C	760154735	TZJBUJCFSKPDMV-BHJKQYKASA-N	421.541	4.864	50	20	HJGD	
CSC[C@H]1CCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762665702	AFIYEEPRFJWGIN-LLVKDONJSA-N	404.426	4.637	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCC(C(F)F)CC1	762668895	NCNSWRBCKNHPJJ-UHFFFAOYSA-N	408.339	4.786	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1ccc([N+](=O)[O-])cc1	768246577	ATIJQZNZGUJAEU-UHFFFAOYSA-N	413.437	4.513	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccc(Br)cc2Br)c(C)c1	768422426	SIRWCCQMDSSZKR-UHFFFAOYSA-N	412.125	4.894	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)c3cccc(F)c3)c2)cc1	772179445	PSFLBBUFZNMQGL-XDHOZWIPSA-N	400.409	4.876	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@H](c1cccnc1)C1CC1	773441992	IEANMOQNCGSJKC-HNNXBMFYSA-N	421.391	4.945	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cccc(Br)c1OC(F)F)c1ccccc1	776725292	ITRMHSWJFUZLDX-JXCQQFQQSA-N	421.241	4.835	50	20	HJGD	
CCCc1nc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)s1	777033484	KOLNLEAOOHLAOM-YFEUJDIGSA-N	400.548	4.575	50	20	HJGD	
C[C@]1(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO[C@@H]1C1CC1	778062489	UDGNJZRPYWRLSQ-KGLIPLIRSA-N	407.426	4.580	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1	788184647	NUIAHPGTRUFEGZ-UHFFFAOYSA-N	408.458	4.505	50	20	HJGD	
CCOC(=O)Nc1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1C#N	792338898	YTMZEHICKJEYDF-UHFFFAOYSA-N	408.245	4.582	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCCc3ccc(F)cc32)c1C	794056707	AUGCMSWBBKFKCU-AXNLJKSNSA-N	409.505	4.552	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[C@H]1CCCOC1	794881834	DRBMIDWXPCASAA-HEUOVEHFSA-N	412.829	4.943	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccc(C(=O)Nc2ccccc2)c1	802828654	DQOUOMWZPMQONB-UHFFFAOYSA-N	415.371	4.594	50	20	HJGD	
CC[C@@H](CC(F)(F)F)NC(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	805284829	XWEZHWONDZVGRG-LBPRGKRZSA-N	421.345	4.520	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccccc1OCc1ccc(Cl)cc1	805462885	UJYGUCPHCSTJEO-UHFFFAOYSA-N	408.889	4.733	50	20	HJGD	
Cc1csc([C@@H](NC(=O)NNc2ccc(Br)cc2Cl)C2CC2)n1	812059907	UDPAJDPWTUNTLE-ZDUSSCGKSA-N	415.744	4.645	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccccc1OCc1ccccn1	819843123	UPJLAJRWYBUYGM-UHFFFAOYSA-N	411.914	4.556	50	20	HJGD	
CC(=NNC(=O)c1ccc(Br)s1)c1sc2nc(C)nc(C)c2c1C	863967713	UAQRMROEJZFIPE-UHFFFAOYSA-N	423.361	4.595	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CCC(c3ccccc3)CC2)c1C	914488916	HHOSNADAKYMTQH-KQWNVCNZSA-N	405.542	4.501	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1cccc2ccccc12	915903056	UOPGUPMFDVEQPX-AWEZNQCLSA-N	413.930	4.677	50	20	HJGD	
O=C(NN=Cc1ccc(-c2cccc(Br)c2)o1)c1ccc(Cl)nc1	915979451	UAJURMDPDDGPJN-UHFFFAOYSA-N	404.651	4.521	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)c2ccsc2)cc1	915989521	IWOZLUUAOXUCKG-UDWIEESQSA-N	403.459	4.904	50	20	HJGD	
O=C(NN=Cc1cc2ccccc2nc1N1CCCCC1)c1ccc2ccccc2n1	916244471	XZBWMCZXQRNIPW-UHFFFAOYSA-N	409.493	4.537	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1OC	916350486	OEYLESFJLHZIBR-UHFFFAOYSA-N	418.493	4.827	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@H](c1ccccc1)c1ccc(F)cc1	918013522	JDLYPBTYZKMWHL-HSZRJFAPSA-N	413.452	4.713	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H](CCc1ccccc1)c1ccccc1	918231415	IJJIBMCZMCXWHI-OAQYLSRUSA-N	407.901	4.658	50	20	HJGD	
CCCn1nc(-c2nnc(CCCC[C@@H]3CCSS3)o2)c2ccccc2c1=O	1261427907	QHTZONCXPCJNJD-CQSZACIVSA-N	416.572	4.723	50	20	HJGD	
CC(C)c1ccc(-c2noc(CCC(=O)NNc3ncc(Cl)cc3Cl)n2)cc1	1320422293	OYFYQHAKNVBPMO-UHFFFAOYSA-N	420.300	4.638	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1	1786074307	KDWXHLZWNCPQBC-HZPDHXFCSA-N	419.363	4.508	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccco3)CCC2)cc1	1786446614	MLLZDKLNNPMZLH-UZLBHIALSA-N	416.949	5.000	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccc2ccoc2c1	1790891532	HSBUZEQPLNEJIE-SFHVURJKSA-N	400.837	4.715	50	20	HJGD	
CC(C)(C)CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Cl)[nH]n1	1822116058	UFCMLSGIPNSYKF-YJBOKZPZSA-N	414.953	4.933	50	20	HJGD	
CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@](C)(Cl)CCl)CC1	1830320307	VKVYSSYUEUASQS-RXVVDRJESA-N	417.421	4.589	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2nc(-c3ccc(C(C)C)cc3)no2)cc1	7770005	GIVLAMYDXKBSGJ-DEDYPNTBSA-N	417.465	4.909	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)c1C	25734688	KTSLDILBHNTNOT-ISXGRJCASA-N	421.541	4.999	50	20	HJGD	
CC[C@@H](C)C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	28279586	QDSZMDWPCADSHD-GOSISDBHSA-N	402.494	4.740	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1	301757095	ARFNPVAGNXGARV-ATVHPVEESA-N	422.535	4.775	50	20	HJGD	
O=C(NCc1cc(-c2ccccc2)on1)NNc1nc(Cl)c(Cl)cc1Cl	726853150	WPAWKVKIBCYLCZ-UHFFFAOYSA-N	412.664	4.523	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](n3ccnc3)C2)c(C)n1C1CCCCC1	728543053	UEHVVCJESRPLGR-LJJBLSSYSA-N	405.546	4.577	50	20	HJGD	
CCc1nnc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)o1	732310915	PSZMOVQHCGAOKR-DAQNXSASSA-N	404.470	4.559	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)[C@@H](Sc1ccccc1)c1ccccc1	732837303	DWNZUYDPHJKOOX-SFHVURJKSA-N	414.328	4.821	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	734552467	SOJIRXGMXMNIPW-UHFFFAOYSA-N	402.216	4.898	50	20	HJGD	
Cn1nc(-c2ccccc2)c(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1Cl	734753647	ZKRLZONNTHKIGW-WJDWOHSUSA-N	418.305	4.732	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c(C)c1	743764417	HNWANNFGWHIFLU-UHFFFAOYSA-N	405.420	4.514	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ccc(Cl)nc2)cc1	743816899	WFDJIKVBBDXPMO-UHFFFAOYSA-N	417.900	4.712	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2ccc(Cl)nc2)c(-c2ccccc2Cl)n1	743817435	ZEQJOYBPHYFFTR-UHFFFAOYSA-N	404.301	4.764	50	20	HJGD	
CCCN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc(OC)cc1	746144074	QROZMETWDQUXNI-UHFFFAOYSA-N	407.494	4.921	50	20	HJGD	
O=Cc1cccc(OCc2ccccc2C(=O)NNc2cccc(C(F)(F)F)c2)c1	747996196	ZYCRNCQSVLZSSE-UHFFFAOYSA-N	414.383	4.854	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(Oc2cccc(Br)c2)nc1	748548571	ADFCSERVPYGBMM-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
C/C(=C\C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1OC(F)F	748695680	PQRGNJHYQPBHEH-ZRDIBKRKSA-N	416.346	4.776	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1	748769900	RWRZOUIVOBVVSR-UHFFFAOYSA-N	423.451	4.984	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](C3CCOCC3)C2)c(C)n1C1CCCCC1	754883553	AETGRMMLWYVDCV-VQYZLWMVSA-N	409.574	4.792	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)Nc1ccc(CCC(F)(F)F)cc1	757614415	TXVWNTBGLXTJEX-UHFFFAOYSA-N	401.388	4.801	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cn(Cc3ccccc3)nc2C(C)(C)C)n1	763290805	SCAYKJQKXZRDHC-BOPFTXTBSA-N	420.538	4.926	50	20	HJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	764124107	BZTNTVUAVDHKNZ-UHFFFAOYSA-N	409.298	4.912	50	20	HJGD	
Cc1csc(CCC(=O)NNc2c(Cl)cc(Br)cc2Cl)n1	766762324	QUWWRSQCNRIKRH-UHFFFAOYSA-N	409.136	4.597	50	20	HJGD	
O=P(CCN1CCC[C@H](Nc2ccccc2)C1)(c1ccccc1)c1ccccc1	768556123	MOOYBPYTKQMWIN-QHCPKHFHSA-N	404.494	4.577	50	20	HJGD	
CCO/C=C(\C#N)C(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1	771385084	QHHIMTXFPVYFEL-LBKOFNPBSA-N	422.378	4.525	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1sc2cc(F)ccc2c1Cl	771535567	UAWIZRDNKSIINQ-UHFFFAOYSA-N	400.660	4.608	50	20	HJGD	
Cc1cccn2cc(COc3ccc(C(=O)NNc4ccc5ccccc5n4)cc3)nc12	777466777	MOGTZRCSOMOPJB-UHFFFAOYSA-N	423.476	4.527	50	20	HJGD	
N#C/C(=C/c1cc2c(cc1OC(F)F)OCO2)C(=O)c1cccc(C(F)(F)F)c1	782369804	PTQONVJTUAJODH-QCDXTXTGSA-N	411.282	4.825	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2ccc(Br)c3cccnc23)cc1	785019888	JAGXLFJUUUDFEL-WJDWOHSUSA-N	423.266	4.656	50	20	HJGD	
O=C(Cc1ccc(Br)c(Cl)c1)NNc1ccc(Br)cc1	787133891	OMQOKOQKANVROY-UHFFFAOYSA-N	418.516	4.551	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)ccc1Cl	788658732	WZNNQIARQBTQTK-UHFFFAOYSA-N	409.833	4.700	50	20	HJGD	
Cn1cc(C(=O)NNc2ccccc2C(F)(F)F)c(-c2ccc(Cl)s2)n1	789610723	VIXLGUQPSMYDJG-UHFFFAOYSA-N	400.813	4.578	50	20	HJGD	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)NNc1c(F)cccc1F	793708349	ATHHUOSKQDHIRX-UHFFFAOYSA-N	422.229	4.702	50	20	HJGD	
O=C(NN=C1CCC12CCOCC2)c1cc(-c2ccc(F)cc2)nc2ccccc12	799867952	QOYAYIXLDNRNED-UHFFFAOYSA-N	403.457	4.717	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(Cl)nc2Cl)c1C	800079186	NNCSSXHCWAHTGJ-KCXFFNSDSA-N	422.312	4.665	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ncccc3F)c3cnn(C(C)C)c3n2)c(C)s1	804211289	JQKUVGUHYZAEEN-UHFFFAOYSA-N	424.505	4.649	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	805380404	OWOFHCCJGIHGKW-UHFFFAOYSA-N	402.410	4.519	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCCN1C(=O)C(F)(F)F	807250375	BCGSKINPHIEVDY-JTQLQIEISA-N	412.302	4.836	50	20	HJGD	
N#C/C(=C\c1cscc1C(F)(F)F)C(=O)Nc1nc(-c2ccncc2)cs1	811626283	GHXOCAYUEJTMNE-VZUCSPMQSA-N	406.414	4.831	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)cc1Cl	812548068	SVEKTGCESHMPQV-UHFFFAOYSA-N	406.751	4.642	50	20	HJGD	
CC(Cn1cccn1)=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	814713529	QPYXZSVQDLUFHC-UHFFFAOYSA-N	403.873	4.558	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1	818307024	NIWOEQXCRGLIDY-FQEVSTJZSA-N	423.563	4.546	50	20	HJGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)c1	914554826	VKZHXBDUDJYVTB-UHFFFAOYSA-N	424.932	4.795	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(Br)cc1F	916349761	VQOATADLSTYLDX-UHFFFAOYSA-N	418.291	4.784	50	20	HJGD	
O=C(Cc1ccc2c(c1)OCO2)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918563202	NBCONBXCVKKZLZ-MRXNPFEDSA-N	403.809	4.816	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cscn2)c(C)n1-c1ccc(Cl)cc1	920280382	CQEWPMVSMPYQJL-MFOYZWKCSA-N	410.930	4.770	50	20	HJGD	
O=C(NC1CC1)[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	1116617280	YQVJAQCXJUPDMJ-LLVKDONJSA-N	413.412	4.867	50	20	HJGD	
Cc1c(Cl)cccc1C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788580491	NPOILYBTMBZJLU-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1	1810502386	RVVFRPBUEXNEGK-INIZCTEOSA-N	422.978	4.747	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1	1822957941	IPJWJRCRIGJDQL-REOHEROTSA-N	420.985	4.780	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1	1824618326	FHJBVYSGNXTBQQ-UXHICEINSA-N	411.030	4.984	50	20	HJGD	
CC1(C)CCC(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)CC1	1827610616	CQFXIWIKDNQZMI-UYAOXDASSA-N	414.993	4.747	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	7156232	DPTDDBKJUJKNRV-GZTJUZNOSA-N	408.864	4.886	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)NC1CCCC1	206897495	PQWUQAWYNDYMAP-AQTBWJFISA-N	402.523	4.626	50	20	HJGD	
O=C(CCCc1ccccc1)NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1	727838214	LNPZMBVWIFPUIY-VWLOTQADSA-N	411.505	4.736	50	20	HJGD	
O=C(CCCC1CCCCC1)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	728217849	STEUOZGOYMQWPM-UHFFFAOYSA-N	415.559	4.681	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C2CCC(c3ccccc3)CC2)c1C	743414439	SSVYXODAKFUUAV-UHFFFAOYSA-N	401.514	4.573	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1ccc(Br)cc1Cl	743434089	KNAVKXPLQHTXFI-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
N#CCOc1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1	744685209	IBLWZZMJWAFFPG-UHFFFAOYSA-N	424.435	4.707	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCn2cnc3ccccc32)c(C)n1C1CCCCC1	746525960	YQOVGVHNQRRVFD-QNGOZBTKSA-N	415.541	4.683	50	20	HJGD	
Cc1nc(-c2cccs2)sc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746893282	CUZZSHMTHKATLM-UHFFFAOYSA-N	408.430	4.827	50	20	HJGD	
CC[C@H](C)n1c(SCC(=O)NNc2cc(C)cc(C)c2)nnc1-c1ccccc1	748362920	ZYRKLPQUJVBDSK-KRWDZBQOSA-N	409.559	4.768	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	752811873	ARATXSMNUXZLOY-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccsc1	754148686	NFGVYMZQGJYVEB-UHFFFAOYSA-N	423.391	4.915	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)Nc1cccc(SC(F)F)c1	756333819	ZHRINOTXYWFMEM-UHFFFAOYSA-N	417.890	4.600	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cccc(Br)c1F	760469697	VPQGGNXINVZFPS-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	761590612	DBFXTBQLIMOGJM-UHFFFAOYSA-N	414.383	4.882	50	20	HJGD	
Cc1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)nc2nc(O)nc(O)c12	762517312	IDIWQRZDFBVBKT-UHFFFAOYSA-N	422.335	4.654	50	20	HJGD	
O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(S(F)(F)(F)(F)F)c1	762519058	ZPEBDKBFUUBKHU-UHFFFAOYSA-N	405.348	4.693	50	20	HJGD	
CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	762671269	NGSDZZRMCBRYKV-JSGCOSHPSA-N	416.412	4.602	50	20	HJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCc3cc(C)c(C(=O)O)o3)cc2)cc1	764891693	NGXIQJUDLFIDPJ-XDHOZWIPSA-N	401.418	4.964	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1C	765864442	ZZOVFIHPMWTDES-BYQGBLLGSA-N	422.312	4.870	50	20	HJGD	
CCn1nc(C)c(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1C	766546360	ALONFZODKPTBSH-UHFFFAOYSA-N	405.414	4.978	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1cccc(OCc2ccc(Cl)cc2)c1	766673819	IYKNCCITJUCLDP-UHFFFAOYSA-N	410.886	4.681	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NNc1ccc(F)c(F)c1F	769982873	IVUBIKZNNKZDQF-CYBMUJFWSA-N	420.435	4.576	50	20	HJGD	
C[C@@H](CBr)CN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1	770654403	SFZOUGMUVJELOR-HNNXBMFYSA-N	402.336	4.720	50	20	HJGD	
COc1ccc(NNC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)nc1	772641550	RZPCQAHWUGOAIM-UHFFFAOYSA-N	403.866	4.791	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	772848118	MMTMKICWTZYIEG-UHFFFAOYSA-N	408.314	4.787	50	20	HJGD	
O=C(Cc1nc(-c2ccc(F)cc2)cs1)NNc1ccc(OC(F)(F)F)cc1	773460585	ZRWJVWUEIMHOCU-UHFFFAOYSA-N	411.380	4.534	50	20	HJGD	
CC(=O)Nc1sc(NC(=O)[C@@H](Br)C(C)(C)C)nc1-c1ccccc1	775283795	FNHBOTXCGNZHAG-CYBMUJFWSA-N	410.337	4.517	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12	780955449	NVGSSVHMTNQAIA-UHFFFAOYSA-N	417.774	4.509	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ncc(C(C)C)s2)c(C)n1C[C@H]1CCCO1	783476657	JQKRFPYTIYXMPR-MMWCCMKASA-N	413.543	4.514	50	20	HJGD	
C=C(CBr)CN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	791458202	FXWONNVNPFLMKH-UHFFFAOYSA-N	418.310	4.779	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1ccccc1	792633670	LORHOSBNUNGYRC-PXLXIMEGSA-N	405.523	4.678	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	797397884	IBMKKMJKFGTEHB-ACCUITESSA-N	413.264	4.733	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799706825	XOHHHADOVCLLMQ-UHFFFAOYSA-N	419.384	4.920	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1	806267847	MXOQJWFDSAYGNV-UHFFFAOYSA-N	418.432	4.840	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1c(Cl)nc(Cl)n1-c1ccccc1)c1ccccc1	814845643	QKWZNBJMOSTYIM-INIZCTEOSA-N	401.297	4.823	50	20	HJGD	
O=C(COc1cc(Cl)c(Cl)cc1Cl)NNc1ccc(OC(F)F)cc1	857474235	XEPHHWAMLACMIQ-UHFFFAOYSA-N	411.619	4.770	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3cc(Cl)ccc3s2)c1C	899895430	TZXUMXXMHWVEFO-DHDCSXOGSA-N	414.918	4.560	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)c1cccc(C)c1C	914528901	HITBAZRMSGDDGW-XUKJQLKWSA-N	405.542	4.861	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccccc1N1CCCCC1	916349767	VXNHHMBBMJSYNA-UHFFFAOYSA-N	404.539	4.873	50	20	HJGD	
O=C(CC(F)(F)F)NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	917551990	WEQWPDSGROLCFA-UHFFFAOYSA-N	412.371	4.688	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2cc(F)ccc2F)c(C)n1C[C@H]1CCCO1	918953366	SIRJFBXAQPFBKW-TWARNOMTSA-N	414.452	4.774	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1C	1322350269	CVGQDURJSWCEHZ-KNGGAZFVSA-N	415.541	4.704	50	20	HJGD	
Cc1cccc(OCc2nnc(/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)o2)c1	1322687550	HDNYOQKKOMLUAS-PZDOZLBDSA-N	418.497	4.619	50	20	HJGD	
Cc1cc(Cl)ccc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1785948538	JLDJXJYXPXGOKM-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)n3cccc3)CCC2)cc1	1786446261	GLQNRIMQAQPYNZ-VQIMIIECSA-N	401.938	4.591	50	20	HJGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788588009	VBPPHVHTVFZPEG-AUUYWEPGSA-N	420.887	4.673	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3cccnc3)CCC2)cc1	1790487828	CQAMWQCGIHTETF-VISDOYDDSA-N	411.933	4.636	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3)CCC2)cc1	1790493456	NVEAQTDVUACPDG-FQEVSTJZSA-N	423.315	4.810	50	20	HJGD	
CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)cc1	1820605217	JGRSXMRVSOSECD-GOSISDBHSA-N	416.953	4.543	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(C)s2)n[nH]1	1822736392	YXWPOOMYKDWEFN-FKLRVFMWSA-N	420.966	4.503	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1	1824870365	BUZVYXZRCBRFFD-DLBZAZTESA-N	424.935	4.746	50	20	HJGD	
O=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1Cl	5703869	JATYLKXXVALRQQ-UHFFFAOYSA-N	415.276	4.647	50	20	HJGD	
O=C(CSc1ccc([N+](=O)[O-])cc1)NNc1c(Cl)cc(Cl)cc1Cl	14824274	WSGZZGOHTSAUNE-UHFFFAOYSA-N	406.678	4.790	50	20	HJGD	
O=S(=O)(Nc1cccc(OCc2cscn2)c1)c1ccc(CCCCl)cc1	727113656	UDNIPZQGUIIPAH-UHFFFAOYSA-N	422.959	4.694	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@@H]1CCC[C@H]1CCC(C)C	727847722	RVVWPYGNWLULGZ-FUHWJXTLSA-N	414.575	4.667	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1ccnc2ccccc12	731478621	GJJRQEFBBZWDJT-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
CCOC[C@H]1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)C1	733763482	XIPGNKBOTOMTJT-VSIOZEBNSA-N	405.542	4.585	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cn(Cc2ccccc2)nc1-c1ccccc1	735694151	HBGOMVXCEMISHZ-UHFFFAOYSA-N	404.420	4.634	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1	742962117	KUFWREXSFRUXPE-YSIZTSBISA-N	404.510	4.585	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c(C)c1	743761845	CVYYVSAQULMICL-QFIPXVFZSA-N	400.478	4.823	50	20	HJGD	
COc1cc(CCC(=O)NNc2cccc3c2CCCC3)ccc1OCC(F)(F)F	748588298	IZOJFASJZNVPPX-UHFFFAOYSA-N	422.447	4.591	50	20	HJGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1	756462949	BQRBGCGQLFCVJS-UHFFFAOYSA-N	422.488	4.811	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2O)c1C	760424707	COLVLNWCNSQJAK-BYQGBLLGSA-N	422.312	4.870	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1Cl	761996855	RVMFOPCWHJFYJE-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NC(=O)NCC(F)(F)F	762410167	KMDQXOJRGYJJFW-ZETCQYMHSA-N	415.306	4.533	50	20	HJGD	
Cc1ncc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c(Cl)c1Cl	769470923	WATBCFDLQVTJLT-UHFFFAOYSA-N	424.284	4.639	50	20	HJGD	
CN(C)C(=O)Nc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)c(Cl)c1	771998568	HTWPHHFZQIXAFC-UHFFFAOYSA-N	422.916	4.785	50	20	HJGD	
C[C@](O)(CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1	782981565	RDRUYWDJPKFPGU-HNNXBMFYSA-N	417.421	4.530	50	20	HJGD	
Cc1ccc(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	783461086	KZYDIUKGPPFLEY-UHFFFAOYSA-N	401.378	4.771	50	20	HJGD	
Cc1cccc([C@@H]2CCN(C(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)C2)c1	784520525	UKIZPUPDBRJSEU-VBIMKKMXSA-N	417.553	4.515	50	20	HJGD	
O=C(NCc1ccnc(Oc2ccccc2F)c1)NNc1ccc(Cl)c(F)c1	787391810	YCYAEHQGZGSADU-UHFFFAOYSA-N	404.804	4.632	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1	787531006	VHNDMJCIUMKQTG-YCZZBHQNSA-N	415.262	4.564	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Br)cc2Cl)cnn1C1CCCC1	789818774	MQBNATROPIQBLK-UHFFFAOYSA-N	411.731	4.733	50	20	HJGD	
CC(C)N(C)c1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cn1	790100666	GQYWNEMNZPAQGO-OVCLIPMQSA-N	410.326	4.571	50	20	HJGD	
CCC(=O)c1ccc(Cl)c(NC(=O)/C(C#N)=C\c2cc(C)n(CCOC)c2C)c1	791950617	YNHIAFHJGHKTDL-WQRHYEAKSA-N	413.905	4.543	50	20	HJGD	
O=C(NNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1)NC1CC1	793201648	OZLJZGUGXFLFEU-UHFFFAOYSA-N	414.676	4.546	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	794736181	AMVJBCSCTTZWPZ-UHFFFAOYSA-N	424.719	4.539	50	20	HJGD	
CC(C)n1nc(C(=O)NN=C2CCCC[C@H]2C2=CCCCC2)c2ccccc2c1=O	814740495	VAWRZJBVXNRPHB-SFHVURJKSA-N	406.530	4.754	50	20	HJGD	
COc1ccc(NNC(=O)c2sc(Cc3ccccc3)nc2C)c(C(F)(F)F)c1	816704423	RTLGCBYWGAKAMD-UHFFFAOYSA-N	421.444	4.827	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1[C@@H](C)C1CC1	817016036	COOVMXZBDZFTLO-JTQLQIEISA-N	420.357	4.957	50	20	HJGD	
CCCOc1c(Cl)cc(C=NNC(=O)c2cc(C)nc3ccccc23)cc1OC	916542343	ZAVZEPGMQHLNSS-UHFFFAOYSA-N	411.889	4.758	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1cn(C)nc1C	917534794	PLRLYAZMTYYERM-UHFFFAOYSA-N	412.946	4.828	50	20	HJGD	
O=C(NN=C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccc(Cl)cc1Cl	917543701	MRAMPVOYBHGPQI-UHFFFAOYSA-N	402.281	4.543	50	20	HJGD	
CCCCS[C@H](C)C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	918321667	YSTQZSLQTXKABE-SECBINFHSA-N	413.918	4.598	50	20	HJGD	
Cc1cccc(NNC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1	920437340	ZNDVRYWDDFMXRW-UHFFFAOYSA-N	422.325	4.634	50	20	HJGD	
C[S@@](=O)c1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	1255266619	CHDCDDOIJZPZKD-HSZRJFAPSA-N	421.434	4.882	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)Nc1ccc(-c2nc3ccccc3o2)cc1	1321023241	LQUJBIWLHYFKBU-UHFFFAOYSA-N	406.829	4.615	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c(CC)noc3C)CCC2)cc1	1786445091	RNAOFFZLGOZNKS-QGZVFWFLSA-N	417.937	4.701	50	20	HJGD	
Cc1ccccc1C(=O)Nc1ccc(C2(NC(=O)CCBr)CCC2)cc1	1790251728	YYPCCBVUVUVYMZ-UHFFFAOYSA-N	415.331	4.528	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)CCc3ccoc3)cc2)CCC1	1791955669	FKHAWHUKKNXHKR-FQEVSTJZSA-N	423.340	4.583	50	20	HJGD	
O=C(c1cccnc1)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124433	NYSMIQOAHWYIBN-UHFFFAOYSA-N	419.997	4.648	50	20	HJGD	
CCc1ccccc1NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	6149984	HQEMLUOORGMUQD-HYARGMPZSA-N	421.541	4.802	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(Cc3ccco3)c2C)cc1Cl	7164888	FWICCEAGMQGQKP-LICLKQGHSA-N	409.873	4.954	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3ccc(C(=O)O)cc3)n2)c1	13351720	WVZUOKOFPPTUJL-LICLKQGHSA-N	403.463	4.671	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OCc2ccc(Cl)cc2)c(-c2ccccc2)n1	215867647	PTUDJTARZGZSKO-UYRXBGFRSA-N	416.868	4.768	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	726937253	CVHKARMPABDKSZ-ZHZULCJRSA-N	424.460	4.998	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	727801261	NBUVXPKHADYWOT-GHMZBOCLSA-N	400.649	4.802	50	20	HJGD	
C[C@H]1CCCCN1CCOc1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1	729532879	MJDCQLIFKKDEOY-INIZCTEOSA-N	421.463	4.716	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3C#N)c2)cc1	731320291	UOUFJIIMZMOZRH-BKUYFWCQSA-N	409.445	4.692	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccn(C(C)C)n2)c(C)n1-c1ccc(F)cc1	735129801	ZJQRXUPPYCOYJH-UNOMPAQXSA-N	406.461	4.661	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)c1C	742012088	HTTFUVSRMIFYCE-AUIMRCKGSA-N	407.558	4.584	50	20	HJGD	
CCCN(C)C[C@@H]1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)C1	742880598	LLHHIDRHPRDXDV-VQYZLWMVSA-N	410.606	4.707	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc3ccccc3n2CC)c1C	743729830	JEQDQDPZEWDBPD-PNWWAVQQSA-N	403.530	4.669	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1	743815683	IPSVSEOZLZQFNM-UHFFFAOYSA-N	414.252	4.591	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	743821942	YYWLGUINIKKOCR-FLIBITNWSA-N	413.852	4.780	50	20	HJGD	
Cc1cc([C@@H](NC(=O)NNC(=O)OC(C)(C)C)c2ccccc2Cl)ccc1F	745856247	CNMOIMDIECWPCT-QGZVFWFLSA-N	407.873	4.616	50	20	HJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)c2)cc1	748710586	CTGOSIMGRFLIBF-UHFFFAOYSA-N	407.817	4.620	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(-c3cccnc3)nc3ccccn23)c1C	753347772	COTOUFUICGODCT-KGENOOAVSA-N	424.508	4.770	50	20	HJGD	
C[C@@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)NCc1ccco1	753926319	XRXQNKUHVNHWPM-SNVBAGLBSA-N	413.368	4.763	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1ccc(OC2CCCC2)c(Cl)c1	756206112	NUFCZTBOOJJEFQ-UHFFFAOYSA-N	424.888	4.676	50	20	HJGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)c2sc(-c3ccccc3)nc2C)c1	756822825	BIKYQBCCJHSXQE-UHFFFAOYSA-N	401.438	4.792	50	20	HJGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	757797808	PXNIRUABTXMBHX-WDBKCZKBSA-N	407.889	4.510	50	20	HJGD	
C[C@@H](CC(=O)NNc1c(Cl)cc(Br)cc1Cl)c1ccncc1	759075812	NUUOYSGZYRVSDP-VIFPVBQESA-N	403.107	4.788	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2ccc(Br)cc2[nH]1	761591323	MPGLATSRXWNJCB-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
CC(CCc1ccsc1)=NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	764897012	STRUQWQEDITKOM-UHFFFAOYSA-N	415.522	4.734	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	767962924	BRBFWFOFCGXWKI-UHFFFAOYSA-N	401.394	4.781	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cnn2Cc2ccccc2F)c1C	769495869	VZFBARKLPKPAGA-MTJSOVHGSA-N	419.504	4.753	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1cccc(CSC2CCCC2)c1	773736722	UYWJVOCOVTZYCM-UHFFFAOYSA-N	403.935	4.598	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CC[C@@H](CN2CCCC2)C1	775293949	RESNXIOFDARRQU-XJKSGUPXSA-N	421.916	4.856	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(F)cc1-c1nc(C2CC2)no1	775657415	LOFCPARSJVNUGW-UHFFFAOYSA-N	423.235	4.604	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1	777869785	OAKGYXBXNCSKAF-SXGWCWSVSA-N	421.382	4.523	50	20	HJGD	
N#C/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1cccc(Cl)c1	786055131	BOEBZCNISFNUSB-NVNXTCNLSA-N	424.869	4.595	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1	787389970	DTURDTNFUZVJSR-GZTJUZNOSA-N	406.388	4.686	50	20	HJGD	
Cc1c(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cccc1NC(=O)N(C)C	791913077	GKDLQNGYOLBODC-NDENLUEZSA-N	421.545	4.709	50	20	HJGD	
Cc1nc(NC(=O)NNc2ccc(C(F)(F)F)cn2)sc1Cc1ccccc1	799431237	USEJYASYTRGPTN-UHFFFAOYSA-N	407.421	4.605	50	20	HJGD	
C[C@H](CO)N(CC1CCC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	800940977	TZPAUOAJXPIAPV-LLVKDONJSA-N	409.442	4.516	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	801971841	STXBIAIEPIARER-MRXNPFEDSA-N	413.440	4.857	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cscc1Br	802828485	CDBXGHFKLXNTRX-UHFFFAOYSA-N	410.518	4.683	50	20	HJGD	
C[C@H](NCc1ccc(OCCCCl)cc1)c1cc(F)ccc1N1CCC(O)CC1	811479750	KMWZHLULFGOCPR-KRWDZBQOSA-N	420.956	4.645	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)N[C@@H]1CCO[C@@H](c2ccccc2)C1	812198069	VOJFXPGCXXQPRM-RHSMWYFYSA-N	424.726	4.649	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)s2)cc1	834725565	KUYGRUWZHKYRRK-LGMDPLHJSA-N	419.481	4.802	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccnc(OCc2ccccc2)c1	915625678	HUOVRUKJKGIUCR-LJQANCHMSA-N	402.585	4.991	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cnn(C(C)(C)C)c3)n2)c1	915985273	KTOLTTMFCOIEKO-RQZCQDPDSA-N	405.527	4.924	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(NC(=O)C3CC3)c2)c1C	916420892	CYURMWSWRBQZCT-DEDYPNTBSA-N	405.498	4.766	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cs1	917561349	CAKHNOBCLALPPB-UGDAACAMSA-N	422.554	4.738	50	20	HJGD	
C[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918434182	ONQPDXZRVUFPIH-NDGTYSDOSA-N	422.900	4.882	50	20	HJGD	
CC(C)c1cccc(NC(=S)NNC(=O)Nc2ccc(Br)cc2)c1	920078368	UDQNLZXKCQSDCD-UHFFFAOYSA-N	407.337	4.596	50	20	HJGD	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NN(C)C(=O)OC(C)(C)C)cs1	920377564	CADXLQZCMKCBFO-UHFFFAOYSA-N	408.911	4.682	50	20	HJGD	
COc1cccc(C2CC(=O)C(=CNc3ccc(SC#N)cc3Cl)C(=O)C2)c1	920979138	XRCIEIHBNJELAH-UHFFFAOYSA-N	412.898	4.933	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1	1786262239	MYAXYOHSGKKHLS-FQEVSTJZSA-N	411.373	4.937	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C3(c4cccc(F)c4)CC3)CCC2)cc1)[C@@H](F)Cl	1788582160	CKQHKMSGPUMUFW-GOSISDBHSA-N	418.871	4.526	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1	1799324787	LUJGZEZESYKNPB-IVSAIRAKSA-N	423.340	4.746	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1sc2cccc(F)c2c1C	16135965	SBIDENPXKGPVPX-UHFFFAOYSA-N	401.532	4.851	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)c2)cc1	21189942	WXZKZWHCBXSOGN-XSFVSMFZSA-N	411.461	4.802	50	20	HJGD	
C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)C(C#N)=C1Nc2ccccc2N1	24271656	WXTKWZIANAAUJZ-NSHDSACASA-N	423.885	4.712	50	20	HJGD	
CN(Cc1ccccc1)Cc1cccc(C(=O)NNc2ccc(Br)cc2)c1	725882141	IBPPBOSOZVYETN-UHFFFAOYSA-N	424.342	4.838	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1	726545938	DGMFFERBRDBOKJ-FUNKKEAFSA-N	423.944	4.597	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1	726939558	IVPWEXAJLLMUNJ-JXAWBTAJSA-N	400.438	4.522	50	20	HJGD	
CCSc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CCOC)c2C)cc1	728835668	SCKASKQPSWUZQL-XESZTULISA-N	411.571	4.648	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)C(C)(C)c3ccccc3)c2Cl)c1	731152425	GUQRMLCPJNBGEI-UHFFFAOYSA-N	408.933	4.879	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3scnc3C)c2C)c1	731172553	DJEKBGAOBASYGG-JAIQZWGSSA-N	404.539	4.733	50	20	HJGD	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	731223938	SGIMUJBMTZEAOC-ZDUSSCGKSA-N	408.329	4.705	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2C#N)c1)c1ccccc1	731320375	YXSMAHMKYXZZMW-QHSFOXILSA-N	407.473	4.922	50	20	HJGD	
O=C(/C=C\c1ccccc1F)NNc1ccc(Br)cc1C(F)(F)F	731477914	RTSQDSWXDCCSLR-YVMONPNESA-N	403.173	4.764	50	20	HJGD	
C[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)C[C@@H](C)N1C(=O)OC(C)(C)C	733184767	MHHMLTXDIVADPC-XHSDSOJGSA-N	402.626	4.557	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1	734259718	ALYCLNYONOUPCP-UHFFFAOYSA-N	415.419	4.612	50	20	HJGD	
N#C/C(=C/c1occc1Br)c1nc(O)c2cc(Br)ccc2n1	735304691	MQJBIPPYDOGUAE-YVMONPNESA-N	421.048	4.518	50	20	HJGD	
COc1cc(C(C)=NNC(=O)Nc2ccc(N(C)C)cc2)ccc1SC(F)F	741767325	RNAFDZLHANZYEA-UHFFFAOYSA-N	408.474	4.622	50	20	HJGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	741849482	YOMWKRPUFWIUCR-QPEQYQDCSA-N	421.409	4.652	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c(C)c1	743820364	RDYNDVCCFDUZLC-CYBMUJFWSA-N	409.477	4.834	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CCC#N)CC(F)(F)F)c(C)n1C1CCCCC1	748801871	CZZRTPWQPSXLDZ-PDGQHHTCSA-N	406.452	4.822	50	20	HJGD	
CC(C)n1nc(C(=O)NN=C2C[C@@H](C)C[C@@H](c3ccccc3)C2)c2ccccc2c1=O	749854376	NVKDPKUDGJUAEQ-PKOBYXMFSA-N	416.525	4.667	50	20	HJGD	
Cc1nnc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)s1	759933238	ZBAVSIOHGKOKCM-JVXZTZIISA-N	410.874	4.949	50	20	HJGD	
COc1cc(C(=O)NN=Cc2csc(-c3ccc(F)cc3)n2)ccc1OC(C)C	767168390	KNCZXBYFYOQQRD-UHFFFAOYSA-N	413.474	4.509	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1cnn(CC(F)(F)F)c1	770035335	LINIRFPDRVJWRW-UHFFFAOYSA-N	402.591	4.554	50	20	HJGD	
N#C/C(=C/c1cccc(Br)n1)c1ccc([N+](=O)[O-])cc1Br	777920554	OUXGSBUZFUOGJH-TWGQIWQCSA-N	409.037	4.579	50	20	HJGD	
O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(S(F)(F)(F)(F)F)cc1	782115681	NSTLSRXPIXQSLM-UHFFFAOYSA-N	405.348	4.693	50	20	HJGD	
CCOc1ccc(C(C)(C)C(=O)NNc2cccc(Br)c2)cc1OCC	783586329	ACGWVKUFKSASMJ-UHFFFAOYSA-N	421.335	4.667	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc(Cl)cc(F)c1Br	786427494	SBUBHUIMEHXIEZ-UHFFFAOYSA-N	409.589	4.600	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cnc2c(C)cc(Br)cn12)c1ccccc1	787180906	YYIURCWKVQOMPG-NXIIHZOPSA-N	423.314	4.580	50	20	HJGD	
CC(C)c1c(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cnn1-c1ccc(Cl)cc1	787576384	DNMRIXHOFHMFHK-LFIBNONCSA-N	406.873	4.900	50	20	HJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)NNc2cc(Cl)nc(N)n2)cc1	789135460	XWYXAEDTZQNQLI-GFCCVEGCSA-N	414.922	4.714	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ncc(C(C)(C)C)s2)c1C	790885023	AZSWUELKJUDETN-QANDDYDISA-N	415.559	4.717	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1nc(C2CC2)n(-c2ccccc2Cl)n1	791713267	DXLLRYMYTVXLRN-UHFFFAOYSA-N	422.703	4.862	50	20	HJGD	
CCCCCCNC(=O)/C(C#N)=C/c1cccc(NC(=O)c2ccc(OC)cc2)c1	797325214	FWTZWVHNMRKOOQ-HMMYKYKNSA-N	405.498	4.551	50	20	HJGD	
COc1ccc(C(=O)NN=C2CCC[C@@H](c3ncccc3C)C2)cc1Br	799109544	HNDHDOVBKSDHGW-CQSZACIVSA-N	416.319	4.605	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccccc1F	804207418	PUACJOLRXHOJJU-GFCCVEGCSA-N	404.367	4.548	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1	812927223	VAOADGCZGKTSGY-UHFFFAOYSA-N	408.546	4.822	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ccccn3)cc2)c1C	813304297	RVNLPSHZZICVSQ-GFHXCNCHSA-N	414.509	4.920	50	20	HJGD	
COCc1ncc(COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)s1	814002026	PIPQVRIFALPYBA-GRSHGNNSSA-N	421.522	4.656	50	20	HJGD	
CCc1nocc1CN(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C)cc2)c1C	818557666	KLVKTZUMLCXGTC-NDENLUEZSA-N	402.498	4.519	50	20	HJGD	
COCCCCNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc3ccccc23)c1C	916060458	MYUQWCCZSKHVKM-JWGURIENSA-N	401.510	4.697	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)c2ccccc2c1=O	916326113	ZWGKVNRQHPHFNY-ROUUACIJSA-N	408.546	4.663	50	20	HJGD	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	916665312	WZYXYDSTDBMDNS-WQRHYEAKSA-N	410.474	4.614	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1	917158598	KTKVVXNLRACSRI-UHFFFAOYSA-N	416.344	4.875	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1c[nH]nc1-c1ccc(Cl)cc1	1317700248	PJPKUXWYWLWJDD-UHFFFAOYSA-N	421.913	4.926	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(Sc3ccccc3Cl)nn2)cc1Cl	1319256954	CCCBQNGLVKNTGT-UHFFFAOYSA-N	405.310	5.000	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccccn3)CCC2)cc1	1786442760	PETFQRSPUMTHFQ-HXUWFJFHSA-N	413.949	4.556	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1	1787627482	VMGRQGVNTAQTNX-HXUWFJFHSA-N	411.373	4.937	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3cnc(C)s3)cc2)CCC1	1791836629	ZLHMVVQYSPPLJJ-SFHVURJKSA-N	419.978	4.536	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2C)CC1	1823922426	BBAXICHCPKLZAU-FPOVZHCZSA-N	422.972	4.775	50	20	HJGD	
C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1)c1ccccc1	1832888947	HDLBCNPBVQVTRD-RXVVDRJESA-N	419.009	4.675	50	20	HJGD	
Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	727934159	BTMYLONYMAVWDC-LKFCYVNXSA-N	406.861	4.831	50	20	HJGD	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3cccc(OC(F)F)c3)sc2c1	729179868	CVBQXEQDPQLAQH-UHFFFAOYSA-N	410.829	4.539	50	20	HJGD	
COc1ccc2cc(C=NNC(=O)Cc3nc(-c4ccccc4)cs3)ccc2c1	730570618	OCMZYVCHUKQTJR-UHFFFAOYSA-N	401.491	4.665	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)ccc1C(=O)NC(C)C	731171630	VWQINRZSNUPJDC-CIAFOILYSA-N	420.557	4.753	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1	733918968	IREQLQGSGNWICF-UHFFFAOYSA-N	419.312	4.618	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2ncccc2Cl)c1	734247680	VGIMWMIWELMQNR-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)Cc1cccc2ccccc12)c1cccc(C(F)(F)F)c1	737487595	MEMCVEUJMZETFY-OAHLLOKOSA-N	414.427	4.742	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c1C	739781861	UCGAATJZEVYKBE-OJSPLJLUSA-N	402.498	4.954	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(NC(=O)c2ccccc2)nc1	742105206	SLGRAJPDWOHOPQ-KRWDZBQOSA-N	401.557	4.987	50	20	HJGD	
C[C@@H](C(=O)NNc1cccc(Cl)c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	742516861	ODTMGJUPNHCEIN-KDOFPFPSSA-N	403.910	4.685	50	20	HJGD	
C/C(=C\C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1	742627323	HAHZDQYLAMPNSC-CSKARUKUSA-N	417.214	4.877	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccccn2)c(C)n1-c1ccc(F)cc1	743656097	YEENPRBSRZIMOT-WRDGEJPTSA-N	402.473	4.755	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1	744491606	QWVQIHVLNTZBJT-RQNDZEIBSA-N	423.856	4.534	50	20	HJGD	
O=C(COc1ccc(Br)cc1)NN=Cc1sc2ccccc2c1Cl	744729530	XQBMDDLSQCNBME-UHFFFAOYSA-N	423.719	4.846	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NNc1cc(F)c(F)c(F)c1	746703959	QCQUQEDHQCQSJC-UHFFFAOYSA-N	403.838	4.628	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(OC)c(OCCC(C)C)c2)n1	747612871	LCALGLJRLIFBGO-YBEGLDIGSA-N	400.500	4.817	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	748577620	NDVVQLUJYVATCK-DEOSSOPVSA-N	412.489	4.777	50	20	HJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1	750044493	YCNVNLMHPFRIOC-RXEMRJGZSA-N	404.253	4.840	50	20	HJGD	
CCOc1c(Cl)cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1OC	754144197	VRRMAKKSBUDYKU-UHFFFAOYSA-N	406.763	4.662	50	20	HJGD	
Cc1cc(C2CCN(C(=O)/C(C#N)=C\c3cc(C)n(C4CCCCC4)c3C)CC2)n[nH]1	760425323	CHWYCWMAVXMKCT-JCMHNJIXSA-N	419.573	4.955	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccccn1	760861454	WXTYOFMHMAUKIE-LJQANCHMSA-N	417.296	4.813	50	20	HJGD	
CCOc1ccccc1Oc1ccc(CNC(=O)[C@H](Br)C(C)(C)C)cn1	767032554	MKTXLNQNJLYMSG-SFHVURJKSA-N	421.335	4.698	50	20	HJGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1ccc(Br)c(F)c1	771680504	IOFATXJZCQCUFM-LBPRGKRZSA-N	405.189	4.768	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1cccc(-c2noc(C3CC3)n2)c1	775669678	HFXCDNVLSYZTOH-UHFFFAOYSA-N	403.364	4.781	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(F)c(F)cc2F)nn1-c1ccc(Cl)c(Cl)c1	777425920	OXDAKLSMBRLROA-UHFFFAOYSA-N	415.202	4.662	50	20	HJGD	
COc1cc(C(=O)NNc2ccccc2OC(F)(F)F)ccc1OC1CCCC1	779200873	JNCLFWXHVFNLHG-UHFFFAOYSA-N	410.392	4.672	50	20	HJGD	
O=C(NCc1nc2cc(Cl)ccc2s1)NNc1ccccc1OC(F)(F)F	779537197	TUYZZAQHYGDVLZ-UHFFFAOYSA-N	416.812	4.675	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc3ccccc3o2)c1C	781807334	MRIFFZKBJSVHMZ-JTINLCKDSA-N	407.470	4.665	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1Cl	782109067	YQHZMDGIRQQADG-VMPITWQZSA-N	422.716	4.657	50	20	HJGD	
O=C(Nc1ccc2nc(C3CC3)oc2c1)C(=O)NN(c1ccccc1)c1ccccc1	782822359	WHLKLQWJEXKLQW-UHFFFAOYSA-N	412.449	4.513	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	785202276	SAWIUZAANIXYCV-XQYJFZSBSA-N	408.317	4.758	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1C	787093222	IXIOATMGFBFBJO-LICLKQGHSA-N	405.420	4.624	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2cnc3ccccc3n2)cc(Br)c1OC	790227426	IGXRVPCOOXMFHT-ZSOIEALJSA-N	410.271	4.864	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F	794089226	YCVAGUYTXKBEJW-LBPRGKRZSA-N	422.220	4.778	50	20	HJGD	
C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	797841811	QLEPNZIJKFNXQR-SMDDNHRTSA-N	407.426	4.604	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccccc3Cl)o2)c1C	799418244	CQFCAEGZDLCUGN-GZTJUZNOSA-N	424.888	4.869	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)C(=O)OC3)c(C)n1C1CCCCC1	809202262	IFHISRZJSMRTIW-YBFXNURJSA-N	403.482	4.826	50	20	HJGD	
O=C(NN=C1CCCC[C@H]1CCCO)c1ccc(COc2ccc(Cl)cc2)cc1	814727323	MRBAZHUEZHHTLW-SFHVURJKSA-N	414.933	4.968	50	20	HJGD	
O=C(NN=C1CC(c2ccc(Br)cc2)C1)c1cc(-c2cccs2)[nH]n1	814875958	DBRMZXOMELDPDH-UHFFFAOYSA-N	415.316	4.564	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	815547558	VEYCMEICGJMIAL-UHFFFAOYSA-N	414.343	4.772	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2cccc(Cl)n2)c(-c2ccccc2Cl)n1	817011723	HMPDJERTFRGCLQ-UHFFFAOYSA-N	404.301	4.764	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1	817896072	OJXPUTSWJZLSQC-UHFFFAOYSA-N	401.488	4.785	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1	915847696	JUAFAMUPMHXZDL-CPNJWEJPSA-N	404.470	4.748	50	20	HJGD	
CCCCc1ccc([C@@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C(C)C)cc1	916195109	ABCRAWNBLTVVCL-QHCPKHFHSA-N	418.541	4.919	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1cc2c(s1)CCC2	916315125	IFMXWRZUUIBYND-UHFFFAOYSA-N	419.337	4.802	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNC(=O)N[C@@H](C)c2c(F)cccc2F)cc1	918102643	ZQWKLQOPCLGGRY-HNNXBMFYSA-N	419.472	4.629	50	20	HJGD	
CCCCCCCCc1nnc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)s1	918681985	UZWKJJFKYNYZBX-GZTJUZNOSA-N	410.547	4.505	50	20	HJGD	
CCc1ccc(-c2nc(C(=O)NNc3ccc(-c4ccccc4)nn3)cs2)cc1	1340156470	LSDQGMWZSBMFKP-UHFFFAOYSA-N	401.495	4.586	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCCC(F)(F)F)cc2)CCC1	1786621686	SVTSQWWZOWKIDC-HNNXBMFYSA-N	404.860	4.871	50	20	HJGD	
COc1cc(C)c(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)c(C)c1	1788588793	IRTIUBZFGZQKJG-IBGZPJMESA-N	418.896	4.594	50	20	HJGD	
COc1cc(C)c(C)cc1C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1790804967	VWYKJDOFYFGFNU-IBGZPJMESA-N	418.896	4.594	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	1797868925	HIQVLIAQSRUMFO-QQKCOMIHSA-N	409.014	4.639	50	20	HJGD	
CC1(C)CCC(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1	1830420695	QWOQBLSLIOXWDH-UYAOXDASSA-N	414.993	4.747	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(NC(=O)C(F)(F)F)c1	11292344	RKJQWAKQFLAASU-MDWZMJQESA-N	407.779	4.695	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc3scnc3c2)c(-c2ccccc2)n1	725738652	QBGZZFIKKHGIBX-GZTJUZNOSA-N	424.489	4.619	50	20	HJGD	
CCCCC[C@@H](NC(=O)NNC(=O)c1cc(C)nc2ccccc12)c1ccccc1	728137468	VEOXTTNNBKPEBH-OAQYLSRUSA-N	404.514	4.809	50	20	HJGD	
Cc1nc(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)c2c(C)c(C)sc2n1	729367623	WIOUEBZXICTMTR-GFCCVEGCSA-N	421.551	4.939	50	20	HJGD	
O=C(Cc1ccccc1Cl)NNc1ccc(Br)cc1C(F)(F)F	731478185	FIFJNLFVMDEHDP-UHFFFAOYSA-N	407.617	4.807	50	20	HJGD	
CC(C)CC(=O)NNC(=O)[C@H](C)S[C@H](c1ccccc1)c1ccc(Cl)cc1	734980033	GSOGQJZAAZEOPI-MGPUTAFESA-N	404.963	4.745	50	20	HJGD	
CC(C)(C)C(=O)Nc1nc(CC(=O)NN(c2ccccc2)c2ccccc2)cs1	742518453	CNLKAWSOYVKPCV-UHFFFAOYSA-N	408.527	4.540	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c1C	743653322	OGEXJQUHJDAJAN-HVQRGMKJSA-N	415.541	4.672	50	20	HJGD	
CCOc1cccc([C@H](C)NC(=O)NNc2nc(Cl)c(Cl)cc2Cl)c1	745286731	PFRJFUISPQOATO-VIFPVBQESA-N	403.697	4.828	50	20	HJGD	
O=C(NCCc1nc(C(F)(F)F)cs1)NN(Cc1ccccc1)c1ccccc1	745921092	WIASKOFPXWVCAO-UHFFFAOYSA-N	420.460	4.625	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	746411468	OXEYOIARNLLCGD-UHFFFAOYSA-N	408.820	4.972	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cc(COc2c(Cl)cccc2Cl)on1	748275411	MDPVRLGCMKEZDZ-UHFFFAOYSA-N	414.195	4.596	50	20	HJGD	
N#Cc1ccccc1Sc1ccc(C(=O)NNc2nc(-c3ccccc3)no2)cc1	748310204	JAMFDHOPJOYBTO-UHFFFAOYSA-N	413.462	4.516	50	20	HJGD	
Cc1c(NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-]	748682412	AFIGWBBDPAYBEP-UHFFFAOYSA-N	424.844	4.566	50	20	HJGD	
Cc1cc(C)c(NNC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c(C)c1	749221530	QQNYARDUWMFMKU-UHFFFAOYSA-N	413.525	4.836	50	20	HJGD	
CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)/C(=C/C#N)c1ccc(F)cc1	750796493	QNNVDWRXLRRPKX-OEAKJJBVSA-N	421.497	4.623	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H]1CCO[C@@]2(CCOC2)C1	752982120	WNCBLBRQIPHRJC-DOMZBBRYSA-N	402.385	4.804	50	20	HJGD	
COC1(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CCOCC1	761742621	BNNUODDXWBTYKD-UHFFFAOYSA-N	418.946	4.544	50	20	HJGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1sccc1C(N)=O	762408809	FSAWOWLYWINOQG-MRVPVSSYSA-N	415.409	4.944	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	768291565	AJUJRIOPKJBEEH-GXSJLCMTSA-N	413.303	4.678	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@H](F)c1ccccc1	769309604	BKWAVXIEHOEEBR-CYBMUJFWSA-N	419.368	4.860	50	20	HJGD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)NNc3c(F)cccc3Cl)c12	770196989	CLBQTEYGOARJEG-UHFFFAOYSA-N	414.824	4.985	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)NNc3cccc(Cl)c3)ccc21	775591168	WAVGOCHKWZXNFP-UHFFFAOYSA-N	402.882	4.786	50	20	HJGD	
Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782915476	GSJATRDMFCYDSE-UHFFFAOYSA-N	422.422	4.614	50	20	HJGD	
CC(C)(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CCOCC1	785398610	ORNIKACRGYNGPC-UHFFFAOYSA-N	409.442	4.828	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc2cnn(C(C)C)c2nc1Cl)c1ccccc1	787144436	JUFWNAPDWCMIMO-DDYRAIOVSA-N	407.905	4.840	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	787395371	UWGPWQMLXRIOBD-LUJRCDHRSA-N	407.470	4.524	50	20	HJGD	
Cn1nc(C(F)F)c2cc(C(=O)Oc3ccc([N+](=O)[O-])c4ccccc34)sc21	791632550	DJJABZQWCLQOQR-UHFFFAOYSA-N	403.366	4.853	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)cc1	797299878	UVAYSQWWWHYJDB-QJOMJCCJSA-N	412.489	4.540	50	20	HJGD	
O=C(NNC(=O)c1nc(-c2ccccc2)cs1)Nc1ccc(-c2ccccc2)cc1	802036996	NFHHJJMOFGNSMU-UHFFFAOYSA-N	414.490	4.944	50	20	HJGD	
Cc1nc(C2(NC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)CCCCCC2)no1	915154669	KBHGZVADPFPLOI-BKUYFWCQSA-N	423.561	4.725	50	20	HJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)cc1OC	915852600	RGQLUPKUMLLQOS-PTNGSMBKSA-N	422.872	4.626	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1	916140363	OXBLANVNCZGJJT-AQTBWJFISA-N	415.884	4.971	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3c[nH]c4ccccc34)cc2)n1	916295508	XYHCWMNCVWQBCN-UHFFFAOYSA-N	415.522	4.631	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])oc2ccc(Br)cc12	917213958	DXIHANGCLSFZJO-UHFFFAOYSA-N	424.638	4.822	50	20	HJGD	
CCCOc1c(C=NNC(=O)c2ccc(F)cc2Br)cccc1OCC	917549881	JITOGTXJICUJSM-UHFFFAOYSA-N	423.282	4.540	50	20	HJGD	
Cc1cccc(OCC(=O)NN=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	918708782	WHRSSDNECRIPDP-UHFFFAOYSA-N	419.428	4.666	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1C(F)(F)F	919920327	SHJGCLXAFGFMNF-ZDUSSCGKSA-N	407.436	4.708	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc([S@@](C)=O)cc3)c2C)cc1	1252189332	BWAYOUDRCQEFNL-BBIFGCKVSA-N	417.534	4.686	50	20	HJGD	
CCn1nc(C(C)C)cc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	1319176743	GEPWGMABYALHGJ-UHFFFAOYSA-N	420.138	4.853	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1ccc(-c2ccc(Cl)cc2)s1	1320269706	YLTSUGCKTIRDAJ-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
CC(C)n1nc(-c2nnc(CCCC[C@@H]3CCSS3)o2)c2ccccc2c1=O	1326514804	VFMMFMTWDDUQJK-CQSZACIVSA-N	416.572	4.894	50	20	HJGD	
CCC1(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)CCC1	1789204150	DFUMOLTTZLKTAD-UHFFFAOYSA-N	402.611	4.552	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)CCC)[C@@H]1c1cccnc1	1803696080	WTFGHFQSXSVAFG-NRDMVMEKSA-N	422.013	4.711	50	20	HJGD	
CC(=O)N1CC[C@H](CNC(=O)CCCCCCCCCCCl)[C@@H]1c1cccnc1	1808110049	VERHQFBZSUDRRL-GGAORHGYSA-N	422.013	4.857	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2sc3cc(Cl)ccc3c2Cl)c1	727498839	ZSJQXKUASZOCNN-UHFFFAOYSA-N	420.346	4.821	50	20	HJGD	
CCCCC[C@H](NC(=O)NNC(=O)c1ccc(Br)s1)c1ccccc1	728065717	LESNKWBEVYMQFW-AWEZNQCLSA-N	424.364	4.776	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(Br)cc2Cl)c(Cl)c1	728782790	UZKZFDBLQIYQLD-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
CC[C@@H]1c2ccccc2CCN1C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	733942985	OGZHARACWBJEIN-UWNSTNHGSA-N	417.553	4.727	50	20	HJGD	
COc1cc(F)c([C@@H](C)NC(=O)NNc2ccc(Cl)cc2Cl)cc1OC	734068297	CFBGJBSDBXKPEY-SECBINFHSA-N	402.253	4.537	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1NC(=O)c1ccccc1F	734553489	NXLTZSGYBSQPBJ-UHFFFAOYSA-N	417.362	4.561	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCC(C)(C)Cc2ccccc2)c(C)n1C[C@H]1CCCO1	735262963	IEGZOLOQUQJHCE-AKKXDVJXSA-N	419.569	4.576	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)C(=O)c1ccc(Br)s1	743056267	SUZNKYDKDFSIFD-UKTHLTGXSA-N	412.268	4.883	50	20	HJGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743562212	RUYWCRIHPFXNSC-JOCHJYFZSA-N	400.482	4.685	50	20	HJGD	
CC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1cnn(C(C)C)c1	746682382	NOEQKIISZCATQY-UHFFFAOYSA-N	401.923	4.582	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1NC(=O)c1ccco1	748019184	YZKWDVFJHROOIK-UHFFFAOYSA-N	404.253	4.904	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cccc(OCc2cccs2)c1	748213799	JTHOXFMHXLVLQT-UHFFFAOYSA-N	421.291	4.986	50	20	HJGD	
CCNC(=O)C1(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCC1	753022877	NRSCBSKHOUFLDY-UHFFFAOYSA-N	401.401	4.772	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Cc1csc(-c2cccs2)n1	753170850	RMTPSDKVSQBGTF-UHFFFAOYSA-N	422.373	4.882	50	20	HJGD	
O=C(NNC(=O)C1CCC1)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1	755309475	ITLUBCFBYMBKKH-UHFFFAOYSA-N	412.408	4.557	50	20	HJGD	
O=S(=O)(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc(CCCl)cc1	760628816	AFARJPYOQCFMOU-FQEVSTJZSA-N	421.349	4.584	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ncnc3ccsc13)c(C)n2C1CCCC1	766680319	ISCGGEDCQOKPTP-UHFFFAOYSA-N	421.526	4.835	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(C(=O)NNc2nc3ccccc3[nH]2)cc1Cl	768512451	KZMUXBYKLOQZAH-UHFFFAOYSA-N	403.829	4.637	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2cc(C#N)cc(Cl)n2)c(C)c1	768711919	ZDCUQUDNTGMSEX-UHFFFAOYSA-N	409.902	4.527	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)NNc3ncccc3Cl)ccc21	770027475	UTYIBOLMNZROCR-UHFFFAOYSA-N	417.897	4.571	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OC2CCC3(CC2)OCCO3)c(C)n1C1CCCCC1	776554034	YFQWYTKGLZWZHF-HMMYKYKNSA-N	412.530	4.746	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)[C@H](C)Cc1ccsc1	778227077	UDFCTFMGZOQMBX-FEHAJIJNSA-N	413.587	4.761	50	20	HJGD	
Cn1ncc(Cl)c1C=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	780188606	NKYYYICNXNARFD-UHFFFAOYSA-N	419.337	4.783	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)c1	780792360	IPPPQGMKZBNHAG-UHFFFAOYSA-N	415.424	4.584	50	20	HJGD	
Cc1nc2cc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)ccc2s1	781199912	HOLFHPKXGZJBDA-JZVSFUAJSA-N	420.538	4.748	50	20	HJGD	
CCSCc1ccccc1C(=O)NNc1c(F)cc(F)cc1Br	789960725	PFYFLZBTJXLEAK-UHFFFAOYSA-N	401.276	4.737	50	20	HJGD	
N#Cc1ccccc1Sc1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1	790591155	IPJMETLSAWROEH-UHFFFAOYSA-N	408.414	4.514	50	20	HJGD	
Cc1noc([C@@H]2CCCN2S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1	796255780	OJNLPDJJYCIJCH-LBPRGKRZSA-N	419.397	4.561	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl	797399309	WMYWOMHSJOIXFJ-QBFSEMIESA-N	413.264	4.733	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799839354	VLSQFQIJBSJWQJ-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)NC[C@H](c2ccc(Cl)cc2)C(C)C)c2ccccc2n1	807539790	OUOPFBRFMLFNDK-FQEVSTJZSA-N	424.932	4.580	50	20	HJGD	
CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(OCCCCl)cc3)ccc2NC1=O	811487045	RJTCCIUJWWEFFI-QRWLVFNGSA-N	402.922	4.655	50	20	HJGD	
COCCOc1cccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	817013196	AZCGHRCBMMWTID-UHFFFAOYSA-N	422.325	4.506	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)n1CCC(C)C	914736688	GNOIDXJSAVVQRR-NDENLUEZSA-N	404.514	4.581	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccncc3)cc2)cc1Cl	915040942	HODZVCDNEKTYSW-LDADJPATSA-N	419.868	4.868	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c1C	915169414	MQFMKOQEQAMVFH-OKZHEPIKSA-N	421.541	4.566	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCC2(c3ccccc3)CCOCC2)c1C	915180209	LPXBWPKSPUZILL-QJOMJCCJSA-N	419.569	4.677	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2cccc(Cl)c2Cl)c1Cl	916284758	DLDKNTYEXOWLIR-UHFFFAOYSA-N	412.491	4.695	50	20	HJGD	
CCCOc1cc(C)ccc1NC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	917745179	LHXRYVAIYSRITI-LANLRWRYSA-N	409.530	4.955	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)c2nc(C(=O)OCC)cs2)cc1OC	920387972	QXSKQRJBKCAUBS-QPEQYQDCSA-N	406.891	4.835	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4cnccc34)cc2)CCC1	1789327729	JHWNSQVGBLJSGE-NRFANRHFSA-N	421.928	5.000	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccs2)[nH]n1	1815317363	RZXQNBJVUQKEPO-WBVHZDCISA-N	422.982	4.504	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(C)c2C)n[nH]1	1816613053	VHUGRQFYOWMWPY-NVXWUHKLSA-N	422.982	4.801	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C	10405559	KDQCCFHUMCYJSP-VEJKBTLKSA-N	405.420	4.877	50	20	HJGD	
COc1ccc2cc(/C=C/C(=O)NNC(=O)c3ccc(Cl)cc3Cl)ccc2c1	15020108	UZVCGPHXABNWLZ-YCRREMRBSA-N	415.276	4.630	50	20	HJGD	
Cc1c(NS(=O)(=O)c2ccc(CCCCl)cc2)cccc1OCC(F)(F)F	727721388	GNMVALVULCHACR-UHFFFAOYSA-N	421.868	4.908	50	20	HJGD	
Cc1nn(-c2ccccc2)c2nc(C(=O)NNc3cccc(C(F)(F)F)c3)ccc12	728716465	DLADHROYKARKJS-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
O=C(Cc1cccnc1)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	728784092	WHBOZJZPPIEAQP-UHFFFAOYSA-N	414.292	4.660	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1sccc1C1CC1	729516821	GOSFONKZZKUUPC-UHFFFAOYSA-N	419.881	4.929	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C(=O)O)c1)C(=O)c1ccccc1F	731562400	BFVCILONNTZTGU-LDADJPATSA-N	401.393	4.893	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCC3(CCCCC3)C2)c(C)n1C[C@H]1CCCO1	732174772	FSBDUGFKEQPTNX-UAPYWLNTSA-N	409.574	4.764	50	20	HJGD	
CCc1cnc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)s1	742804507	ABULXOWFKWAYSC-ODLFYWEKSA-N	404.539	4.645	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc(C)n(-c2nccs2)c1C	744756298	SUUJRRRGCRXXQR-UHFFFAOYSA-N	421.551	4.746	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2sc3cccc(C)c3c2Cl)c1	745195392	FMDZZSDNNPELFE-UHFFFAOYSA-N	407.923	4.942	50	20	HJGD	
O=C(NCC1CCSCC1)NNc1c(Cl)cc(Br)cc1Cl	745818525	QAQDMTLEYXYZDQ-UHFFFAOYSA-N	413.168	4.525	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C)C1CCOCC1	746410992	WCZPDJZXNTUUIC-VKIDYWOHSA-N	405.542	4.631	50	20	HJGD	
Cc1c(-c2ccccc2)oc2c(C(=O)NNc3cc(F)c(F)c(F)c3)cccc2c1=O	746704585	AFQNWAJQJZJQSJ-UHFFFAOYSA-N	424.378	4.943	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1cccnc1Oc1cccc(Br)c1	748087391	XJCSINJQDYGYCH-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cccc(NC(=O)c2ccc(F)cc2)c1	748573546	CDINKALMWHBPQZ-UHFFFAOYSA-N	403.457	4.714	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(C)noc3C)c2C)cc1	748636883	QXADSERNBRTZCU-XDHOZWIPSA-N	404.470	4.643	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	748731204	ZOZJIPFRUGKFPW-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
CC[C@@H](NNC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccc(Br)cc1	760461890	GIOFARXAEKMHPV-QGZVFWFLSA-N	421.335	4.631	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1	762528685	MZASWRNYFOBAQW-LBPRGKRZSA-N	421.391	4.726	50	20	HJGD	
Cn1ccc([C@H](NC(=O)CCCC[C@@H]2CCSS2)c2ccc(Cl)cc2)n1	762678847	IAAQODSZPCJONN-VQIMIIECSA-N	410.008	4.993	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	765915950	PIOZNXKSIOJQKT-IEBWSBKVSA-N	418.335	4.558	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2cnc3ccccc3n2)c(C)c1	774769418	LAEWEHFIPYAKMG-UHFFFAOYSA-N	401.495	4.550	50	20	HJGD	
COc1ccc([C@H](NCCP(=O)(c2ccccc2)c2ccccc2)C(C)C)cc1	774826946	YOYRHNNJUJCWSE-RUZDIDTESA-N	407.494	4.996	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cc1	776064259	CHMLUJFPWZRATC-UHFFFAOYSA-N	406.530	4.822	50	20	HJGD	
CC1CCN(CCCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	777598641	CJKWBVLVVLLTNT-UHFFFAOYSA-N	422.485	4.744	50	20	HJGD	
CN(C)c1cc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)ccn1	777668855	AKMPEBFGJJAWLW-UHFFFAOYSA-N	403.398	4.606	50	20	HJGD	
C[C@H](C(=O)NNc1ccccc1OC(F)(F)F)c1ccc(Br)cc1	779216579	HKSQJDMJMZAZNK-JTQLQIEISA-N	403.198	4.595	50	20	HJGD	
CN(C)CC[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(C)(C)C	782983570	SQTLKSABMPUNGN-CQSZACIVSA-N	424.501	4.989	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)c1ccc(Cl)s1	783714886	NXDDNMPLISTRBS-JLHYYAGUSA-N	411.870	4.554	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c1C	794214209	QVADFCMXTKYGCA-RYFGYPJOSA-N	417.513	4.557	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	801647709	HYNZCDWNBKDZBQ-OQLLNIDSSA-N	414.362	4.832	50	20	HJGD	
COc1c(NC(=O)CCCC[C@@H]2CCSS2)cc(Cl)cc1C(=O)N(C)C	803799373	BNJXFZHHNXSIMD-CYBMUJFWSA-N	416.996	4.703	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(F)c2Cl)c(C)n1C[C@@H]1CCCO1	809195980	NKJMRYZIUIJWOL-RNIVLKNTSA-N	401.869	4.622	50	20	HJGD	
N#CCC[C@@H](NC(=O)NNc1ccc(Br)cc1Cl)c1ccccc1	812177438	GPXYNSNLKCXLPD-OAHLLOKOSA-N	407.699	4.774	50	20	HJGD	
N#C/C(=C/c1cccc(I)c1)c1cc(C(F)(F)F)ccn1	812246012	AUMZDWUWFPYVIF-WDZFZDKYSA-N	400.141	4.769	50	20	HJGD	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1NC(=O)c1ccccc1F	915281591	MVCMTMXOYRACLI-UHFFFAOYSA-N	408.385	4.822	50	20	HJGD	
CCC[C@H](NC(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1ccccc1	915914754	XNCZEJDPFHTIIZ-QFIPXVFZSA-N	417.509	4.604	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NN=Cc2ccccc2OCc2cccnc2)cc1	915946669	RBJMOPZPPQXNTN-UHFFFAOYSA-N	417.509	4.849	50	20	HJGD	
CCOc1ccc(Oc2c(C=NNC(=O)CC(C)C)c(C)nn2-c2ccccc2)cc1	916342839	BVKXYDJJBJMYLF-UHFFFAOYSA-N	420.513	4.868	50	20	HJGD	
CC(F)(F)CCC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	916739756	TWORIDJDOAPFGL-UHFFFAOYSA-N	417.843	4.752	50	20	HJGD	
Cc1cccc(COc2cccc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])c2)c1	917213690	BNUOQVBHZUVHRC-UHFFFAOYSA-N	411.845	4.893	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)c1C	918668879	VMIODMBKXVCDBU-FYJGNVAPSA-N	406.530	4.507	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(OC(C)C)c2)c1C	918817679	IMKMMUZLOHWILS-WQFTWXBESA-N	410.514	4.750	50	20	HJGD	
COc1cc(Cl)c(Br)cc1C(=O)NNc1ccc(Cl)c(F)c1	1320748247	RQUDCWBPRVWOOH-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccccc1C1CC1	1788588281	LGARULJILGZAAV-IBGZPJMESA-N	400.881	4.846	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]3C)cc2)CCC1	1789214986	YWKVSSXNTYDENM-OLMNPRSZSA-N	421.379	4.730	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1ccc(F)c(F)c1	1791607259	XUYFSFSVUQOYBP-UHFFFAOYSA-N	413.251	4.516	50	20	HJGD	
CC(C)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1Cl	1799545151	IZTUVVFUCHCDEZ-CLLJXQQHSA-N	417.764	4.510	50	20	HJGD	
C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCCCl)C2	1802294339	GRBDIFKIIRXTHH-OKYOBFRVSA-N	417.059	4.693	50	20	HJGD	
CC1(C)CCC(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)CC1	1830420691	QWOQBLSLIOXWDH-QUCCMNQESA-N	414.993	4.747	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2csc(Nc3ccc(C)cc3)n2)cc1	5111961	LHDRYMDUMRBLGW-GZTJUZNOSA-N	405.479	4.854	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=S)Nc1cccc(Cl)c1	14892971	BRFANDTVVWEYRG-UHFFFAOYSA-N	421.309	4.588	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1OC(F)F)c1ccccc1	205556052	IKNXPWKIYAYIRD-CDCQXCROSA-N	408.351	4.674	50	20	HJGD	
CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)S(C)(=O)=O)cc2[N+](=O)[O-])cc1	211201192	ZRZGAGUNGWJCDD-BOPFTXTBSA-N	400.456	4.594	50	20	HJGD	
O=C(NN=C1CCCOc2ccccc21)c1cc(-c2ccncc2)nc2ccccc12	728427290	MNPQHXFADVXSSK-UHFFFAOYSA-N	408.461	4.604	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)c2cnn(C)c2)c(C)n1-c1cccc2ccccc12	741952926	FWVQFFUMKBSCCK-FYJGNVAPSA-N	409.493	4.551	50	20	HJGD	
CCn1c(C)cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1C	742133122	JOTQPZZLBSPRSC-UHFFFAOYSA-N	405.123	4.951	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1	744571772	VPYLHPUBAZBXIS-UHVIJJLKSA-N	412.873	4.525	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1OCCCC#N	747361192	GATCQPPMYICNOW-LDADJPATSA-N	402.479	4.960	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc2ccccc2cc1NC(=O)C1CC1	748070352	NBBFKKJLPHJVEG-UHFFFAOYSA-N	424.298	4.708	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	748586099	VUYGXMQSLYPLKS-UHFFFAOYSA-N	418.394	4.666	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	748669250	FYTDQCDESSDYKZ-UHFFFAOYSA-N	421.482	4.731	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](C3CCOCC3)C2)c(C)n1C1CCCCC1	754883552	AETGRMMLWYVDCV-FYYJVHHASA-N	409.574	4.792	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)c2ccc(OC)c(Cl)c2)c1C	757774327	ROMCIHWPULPYAU-YQYFLZKSSA-N	415.921	4.544	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)c1	759311448	WEJNWZAGGGNTHJ-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@H]1CCO[C@H](c2ccccc2)C1	765917768	ZLUSTEZYRQOGCV-FZMZJTMJSA-N	415.708	4.588	50	20	HJGD	
COc1cc(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1[N+](=O)[O-]	766778508	MAOWIJXHLBNRHK-UNOMPAQXSA-N	423.432	4.915	50	20	HJGD	
C[C@H](C(=O)NNc1ncc(Cl)cc1Cl)c1cccc(C(=O)c2ccccc2)c1	775273092	OSAVFCMASMYMQJ-ZDUSSCGKSA-N	414.292	4.866	50	20	HJGD	
CCOC(=O)Nc1ccc(NC(=O)NNc2c(Cl)cccc2Cl)cc1C#N	775688037	GCIZAABJXHNARA-UHFFFAOYSA-N	408.245	4.582	50	20	HJGD	
COc1ccc([C@H](NC(=O)NNc2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1	775992459	RZADSGDMONZQGK-AWEZNQCLSA-N	423.313	4.524	50	20	HJGD	
N#Cc1cccc(NNC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	775994062	FVNQWOSAHKPQLD-AWEZNQCLSA-N	402.298	4.507	50	20	HJGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)NNc1ccccc1Br	782988596	LHYRWXYUZLEEGF-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)Nc1ccccc1Br	787169358	NTXFQTQWMWZNIJ-XHWVFBAXSA-N	412.243	4.849	50	20	HJGD	
CC(C)Nc1ccc(Br)cc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	787404829	ZAUCQUJSCQGLGA-ZROIWOOFSA-N	400.276	4.521	50	20	HJGD	
COc1cc(NNC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1Cl	790179706	BGMDCNLVXIUSFC-UHFFFAOYSA-N	407.857	4.556	50	20	HJGD	
O=C(NNc1nc2ccccn2n1)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1	791261286	BXTGZAOPYMLFAP-UHFFFAOYSA-N	416.243	4.599	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1csc(-c2ccc3c(c2)OCCO3)n1	791735306	ZAJNTRZQLPQNLG-UHFFFAOYSA-N	422.293	4.645	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cncn2CC(F)(F)F)c(C)n1CCC(C)C	797129501	YDDSXZIIYDXKAD-LSCVHKIXSA-N	422.451	4.560	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1[nH]ccc1-c1c(Cl)cccc1Cl	799625696	QWGSMBAWCMRQOI-UHFFFAOYSA-N	414.252	4.795	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)C1(c2cc(F)cc(Br)c2)CC1	802831694	DEUHDVBBQSUHIK-UHFFFAOYSA-N	401.638	4.556	50	20	HJGD	
CCOC(=O)C(C)(C)c1csc(NC(=O)CCCC[C@@H]2CCSS2)n1	807876213	NYUDOGFJHISXQO-GFCCVEGCSA-N	402.607	4.636	50	20	HJGD	
C[C@H]1CN(Cc2ccc(CNCc3ccc(OCCCCl)cc3)cc2)C[C@H](C)O1	811472749	JRLAQFXHQSOTQA-PMACEKPBSA-N	416.993	4.593	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCCC[C@@H]3CCSS3)CC[C@@H]21	814150548	DFXYOSFWNFFOHU-ZACQAIPSSA-N	414.637	4.558	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3cccc4cc[nH]c34)cc2)n1	814702473	UMXHUBRHNDWAFF-UHFFFAOYSA-N	415.522	4.631	50	20	HJGD	
Cn1c(NNC(=O)c2ccc(-c3nc4ccccc4s3)s2)nc2ccccc21	816579925	KXQPFRWSNPYBRF-UHFFFAOYSA-N	405.508	4.668	50	20	HJGD	
Cc1c(C(=O)NNc2c(Br)cccc2Br)ccn1C(C)C	816590232	UMTVJIVFNGBILL-UHFFFAOYSA-N	415.129	4.659	50	20	HJGD	
Cc1ccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1	912596602	NOXJSEKTUHHSSG-UGKGYDQZSA-N	405.523	4.602	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3c(F)cccc3F)c2C)cc1	912706476	DVHXJKPAYNRJCF-ATVHPVEESA-N	407.420	4.927	50	20	HJGD	
O=C(NN=Cc1ccc(O)c(O)c1)c1cc(-c2ccccc2Cl)nc2ccccc12	915921070	ULZGMVQMRJMLAX-UHFFFAOYSA-N	417.852	4.730	50	20	HJGD	
CCCc1ccc([C@H](NC(=O)NNC(=O)c2ccccc2C)c2cccs2)cc1	916194728	BPKGTPWZLGJDBL-NRFANRHFSA-N	407.539	4.743	50	20	HJGD	
COc1ccc(C(C)=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)c(O)c1	916357978	VZGAKRXCGBDCQJ-UHFFFAOYSA-N	415.902	4.519	50	20	HJGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c(C)c1	916487734	XRWQGNRCLJJMEH-LJQANCHMSA-N	404.514	4.973	50	20	HJGD	
CN(CCC#N)c1ccc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1	917029430	ICVMEBRJTMUHNS-UHFFFAOYSA-N	406.486	4.668	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(Cl)cc3)c2C)c1	917144885	KIWIIUGJIYPGRY-WJDWOHSUSA-N	406.873	4.697	50	20	HJGD	
Cc1noc(C)c1CN(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	919713832	YTNLUZIBUOMHTB-YBFXNURJSA-N	422.916	4.918	50	20	HJGD	
COC(=O)Nc1cc(C(=O)NNc2ccc(C)c(Cl)c2)cc(C(F)(F)F)c1	1319364154	KDEPADYBCGBQGW-UHFFFAOYSA-N	401.772	4.602	50	20	HJGD	
Cc1nc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)ccc1F	1786011300	HSOLMJRJWIAGLG-UHFFFAOYSA-N	417.912	4.542	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816690873	VQOHPEJGWXBHAE-AEFFLSMTSA-N	408.974	4.780	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(F)c2)n[nH]1	1821059955	RUJKEFSFVTYLDS-WMZOPIPTSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)CC1	1832366865	FNYAWQJJNOURFM-ZIBCJSCZSA-N	411.030	4.840	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1	1832556095	OPTXKKNAWCNJSV-VXKWHMMOSA-N	416.993	4.815	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2ccccc2OC(F)F)cc1	7208972	MGFVRCHTNYSBKK-SFQUDFHCSA-N	408.408	4.636	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2csc(-c3ccccc3)n2)cc1	15717838	XKOOZHZUPVNNKA-UHFFFAOYSA-N	410.568	4.784	50	20	HJGD	
CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccccc3n2C)cc1OC	169945760	LXFWJMKZLNLHJI-ZROIWOOFSA-N	412.287	4.807	50	20	HJGD	
CSc1ccc(C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1	254445768	BXMHJBSHRBVSTB-UHFFFAOYSA-N	422.579	4.872	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1c[nH]c2ccccc12	254624842	SMHWUZXQDIBJLX-UHFFFAOYSA-N	411.490	4.846	50	20	HJGD	
CCCOc1ccc(OC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	255950571	PJUIGNNMGCVGII-YSSBIZNGSA-N	408.498	4.585	50	20	HJGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(-c2ccc(Cl)cc2)s1	725795792	VIGFSGUSKSSKAA-UHFFFAOYSA-N	415.858	4.506	50	20	HJGD	
O=C(/C=C/c1cccc(OC2CCCC2)c1)NNc1ccc(Cl)cc1[N+](=O)[O-]	727674398	TYBYJPCDFCMQQA-DHZHZOJOSA-N	401.850	4.726	50	20	HJGD	
CCc1c(C(=O)NNc2cccc(C(F)(F)F)c2)cnn1-c1cccc(Cl)c1	727758692	BIMDSCNCIAWXBZ-UHFFFAOYSA-N	408.811	4.864	50	20	HJGD	
CCCN(CCC)C(=O)c1cccc(C(=O)NNc2ccnc3cc(Cl)ccc23)c1	729516332	ZEQKFGLPTMEHEV-UHFFFAOYSA-N	424.932	4.907	50	20	HJGD	
COc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1Br	731935175	VAEBURABKKKDHO-UHFFFAOYSA-N	401.304	4.901	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1cnnc2ccccc12	733811746	LEZVIWONCCIUDM-UHFFFAOYSA-N	401.904	4.534	50	20	HJGD	
Cc1cccc(COc2ccc(CNC(=O)c3c(C)nn(CCCl)c3C)cc2)c1	733920129	FCQBETYVKIKZOW-UHFFFAOYSA-N	411.933	4.556	50	20	HJGD	
O=C(NN=C1CCC(O)(C(F)(F)F)CC1)c1ccc(-c2ccc(F)cc2)s1	734744750	CWAYHKQKALJALM-UHFFFAOYSA-N	400.397	4.507	50	20	HJGD	
CCN(CC)C(=O)c1ccc(OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1	741599075	AWFMEUGGDDJFIP-HMAPJEAMSA-N	421.541	4.756	50	20	HJGD	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NNc3cc(F)c(F)c(F)c3)ccc21	746707048	RTCAQLQHQMHRGS-UHFFFAOYSA-N	416.325	4.810	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1ccc(COc2ccccc2Br)cc1	748089504	ZZADGORRXISEDI-UHFFFAOYSA-N	415.262	4.924	50	20	HJGD	
C[C@](Cc1nc2ccccc2s1)(C(=O)NNc1ccc(C#N)cc1)c1ccccc1	748104968	UUNNSSACOOPWTQ-XMMPIXPASA-N	412.518	4.812	50	20	HJGD	
COc1ccc2sc(C(=O)NNc3ccc(Br)cc3F)c(C)c2c1	748190587	FSUIDCGRDSYBBX-UHFFFAOYSA-N	409.280	4.877	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1OC	748810513	BQZUUCADEJLYDB-UHFFFAOYSA-N	402.800	4.702	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2ccc(Cl)cc2)c(-c2ccc(F)cc2F)n1	749273082	ADOIBEXCZIBABI-UHFFFAOYSA-N	404.848	4.994	50	20	HJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	750044478	XBEHBSJRZZVTNY-BCUAHEQISA-N	419.416	4.528	50	20	HJGD	
CC(C)[C@H](CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCOCC1	752981447	SIDLSUOXTDECIL-HNNXBMFYSA-N	417.444	4.822	50	20	HJGD	
Cc1cc(C(=O)NN=C2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c2ccccc2n1	753691878	CKIGSHTYTVRPFY-INIZCTEOSA-N	402.454	4.580	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ccc(-c2ccccc2)nn1	754466975	BQYCMICMERFOCI-UHFFFAOYSA-N	423.835	4.656	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(-c3ccccc3)nn2)oc2ccc(Br)cc12	754467439	KYMMMZLZFBROOE-UHFFFAOYSA-N	423.270	4.718	50	20	HJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3ccc(-c4ccccc4)nn3)c2)cc1	754469649	JZVOAZJGSXQHON-UHFFFAOYSA-N	406.449	4.516	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)oc2ccccc23)c2ccccc2n1	755908038	GEOSWLVAYHNXDR-UHFFFAOYSA-N	410.433	4.909	50	20	HJGD	
N#C/C(=C\c1ccc(OCCBr)c(Cl)c1)C(=O)Nc1ccccc1	763101880	MTYWVJJNIOIQCV-GXDHUFHOSA-N	405.679	4.659	50	20	HJGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(Sc2ccccn2)o1	766435116	YKVXFYFKFLFPNT-UHFFFAOYSA-N	403.463	4.508	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3ccc([N+](=O)[O-])cc3)oc2c1	768242796	ASPRUJUJWGIHEN-UHFFFAOYSA-N	403.394	4.774	50	20	HJGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1	768474664	WZTIZERHZVKGNI-QGZVFWFLSA-N	407.474	4.525	50	20	HJGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1c(Cl)cccc1Oc1ccccc1	769568683	KIXVUZNUZRBXFM-UHFFFAOYSA-N	418.884	4.941	50	20	HJGD	
CCC(C)(C)NC(=S)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12	774138910	MNOWSBOIPYNDTB-UHFFFAOYSA-N	406.555	4.508	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)cccc1[N+](=O)[O-]	780950072	BJAZSLCYIDTEKU-UHFFFAOYSA-N	421.331	4.819	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1Cl	782108214	QLKPKIMADZBODY-QPJJXVBHSA-N	423.609	4.945	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cn(-c3ccc(F)c(Cl)c3)nn2)c(C)c1	782886722	HAVAHOMWORWEQE-NVNXTCNLSA-N	409.852	4.531	50	20	HJGD	
CCOc1ccc(NC(=O)NNc2ccc(Cl)c(OC)c2)cc1Br	788675682	OJHNMMGLGSXMAO-UHFFFAOYSA-N	414.687	4.658	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3cc(Cl)cc(Cl)c3)cs2)cc1OC	791714647	AECFPWWDTLCKPX-UHFFFAOYSA-N	424.309	4.891	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc(Br)c1O	794884285	HTYVWHVEFAWAAK-CHHVJCJISA-N	409.239	4.501	50	20	HJGD	
CC(C)c1noc(Cc2ccc(NC(=O)NNc3cccc(C(F)(F)F)c3)cc2)n1	801942000	FFMWPMIIEBYZJU-UHFFFAOYSA-N	419.407	4.951	50	20	HJGD	
Cc1cc(NC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cnc1Cl	806343354	COYONWIZXDKGQL-UHFFFAOYSA-N	422.798	4.668	50	20	HJGD	
COC(=O)c1cc2c(/C=C(/C#N)c3cc(C(F)(F)F)ccn3)ccc(OC)c2o1	812247002	YCUAOKDMBXYMSS-GHXNOFRVSA-N	402.328	4.706	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1	812938964	RXAFFCQKUGXFFM-UHFFFAOYSA-N	417.575	4.980	50	20	HJGD	
CNC(=O)c1ccc(/C=C(/C#N)C(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	912776690	SOGYLJSMEYCURW-HMAPJEAMSA-N	411.505	4.860	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ncc(-c3ccccc3)s2)c1C	914872266	KJNBQUHDAYPQDU-MBTVCVBTSA-N	420.538	4.982	50	20	HJGD	
COc1ccc(OC(F)F)c(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	916068425	PPSXPRXJMGASQR-MFOYZWKCSA-N	417.456	4.917	50	20	HJGD	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	916080518	ISZDAEZEBSIHEB-NHDPSOOVSA-N	418.541	4.507	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1	916628083	LFGAXDBFQAITGO-MRXNPFEDSA-N	407.901	4.505	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2ccc(Br)cc2)c(C)n1CC(C)C	919746042	RJHNMJWHSNUXHX-YVLHZVERSA-N	415.335	4.574	50	20	HJGD	
CC[C@H](C)[C@H](C)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	920015784	LQZHURQSSUQGAR-LQXHQAILSA-N	409.921	4.575	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2ccc(C(F)(F)F)cc2[nH]1	1324237461	WAUAFPZTDPIFRO-UHFFFAOYSA-N	403.282	4.842	50	20	HJGD	
CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)[C@H](Br)CC)cc2)CCC1	1791359500	DGNONGRUWCWUMZ-WMLDXEAASA-N	409.368	4.730	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1824013987	DEWBOGILHMCVFB-CTDFXDFQSA-N	409.014	4.618	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1	1824609200	JLSGBLNHSKVCPD-PCCBWWKXSA-N	422.972	4.724	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1sc(-c2cccs2)nc1C	16136042	BQJQHJCBGLUJJE-UHFFFAOYSA-N	416.597	4.682	50	20	HJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1OCC	23739781	VKCAUWOPOQCMPJ-FOWTUZBSSA-N	414.383	4.662	50	20	HJGD	
CC(C)C[C@H](NC(=O)NNC(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1	726851334	MGAGLDADEZIUTM-KRWDZBQOSA-N	411.399	4.576	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1C	728875683	GAAWYOAZHHZPGF-DUBROFONSA-N	411.933	4.675	50	20	HJGD	
CC(C)(C)n1cc(C=NNC(=O)c2ccc(Cl)nc2)c(-c2ccccc2Cl)n1	731151948	SMCRMKHFZSVBMH-UHFFFAOYSA-N	416.312	4.771	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccccc1	731175597	XTJJEPVNLBBULT-UHFFFAOYSA-N	421.547	4.764	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c(C)n1C[C@H]1CCCO1	734355481	NOGNFMDAYXEFGH-SDHCPUPSSA-N	417.553	4.596	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cc(-c2ccccc2)nn1-c1ccccc1	740095792	LKHWWPKACGYJOH-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2OC(F)F)c1C	742006555	MBCRYYYASGJNGB-KHAFMBKQSA-N	421.419	4.599	50	20	HJGD	
CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NNc2nccc3sccc23)c1	743416372	MWSXIXGRTBUHNM-UHFFFAOYSA-N	417.922	4.627	50	20	HJGD	
N#Cc1ccc2c(c1)CCCC2=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	743421339	YSWFDWKXUWOLQS-UHFFFAOYSA-N	417.472	4.639	50	20	HJGD	
Cc1nnc(SCc2c(C(=O)NN(C)c3ccccc3)oc3ccccc23)s1	745497044	QKCQUFYAFJEUCF-UHFFFAOYSA-N	410.524	4.666	50	20	HJGD	
CCOc1cc(CN(C)/C(=C/C#N)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F	746499872	OCCHZYJYWGHRLH-RQZCQDPDSA-N	403.385	4.591	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc(-c2ccccc2)ns1	748776087	LXGUNDLOYRTMDH-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc(-c2cccs2)n(-c2ccccc2)n1	755804384	PHVYKQLPSUQCHJ-UHFFFAOYSA-N	417.519	4.967	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2(C#N)CCC2)c(C)n1-c1cccc(C(F)(F)F)c1	760587605	MDMKAIBQMJZCDJ-YVLHZVERSA-N	412.415	4.582	50	20	HJGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNc1ccc(Br)c(F)c1	771682468	UMZIJZQIKMKLDK-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
CC[C@@H](C)n1c(SCC(=O)NNc2c(C)cccc2F)nnc1-c1ccccc1	771700346	HHNBTJNKWFLVMR-OAHLLOKOSA-N	413.522	4.599	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	774336754	MUGAMFNYGXFGNO-CYBMUJFWSA-N	407.820	4.549	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H]2COc3cc(Cl)ccc32)c1C	774516001	XKYCGYKJHHXASG-SBKBUIDTSA-N	414.889	4.550	50	20	HJGD	
CC[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2	775202526	ICGQMTFBJICYSJ-QHCPKHFHSA-N	421.477	4.513	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(OC(F)F)c2cccnc12	775924911	OIDMKJVFQCNGMV-UHFFFAOYSA-N	414.199	4.687	50	20	HJGD	
C[C@@H](CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)N1CCCC[C@H]1C	777879226	GEIZDVKHPKUFQN-OLZOCXBDSA-N	422.485	4.885	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3cc(Cl)ccn3)c(-c3ccccc3)n2)cc1	778452944	GAAZBSCSXAPHKL-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c1	780795691	AAVNMCBRMXHVSD-UHFFFAOYSA-N	413.433	4.552	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	781548144	UIJGOAZREQZUTO-NTEUORMPSA-N	404.438	4.913	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1Cl	782108112	PKOJGSCMJXLZRW-ALCCZGGFSA-N	423.609	4.945	50	20	HJGD	
Cc1cccc(COc2ccc(NC(=O)C(=O)NNc3ccc(Cl)cc3)c(C)c2)c1	783333132	QROHXCPWMKPUTR-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
CCCCCOc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1OC	787009423	ZELFMAUDMYPROS-TYSUYXETSA-N	408.498	4.754	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1	787309585	JQARGDLMRQZKEU-LCYFTJDESA-N	413.405	4.663	50	20	HJGD	
N#C/C(=C/c1c(Cl)nc2cc(Cl)ccn12)C(=O)NCc1cccc(Cl)c1	794714522	RCYDLIAOQSLLOA-GHXNOFRVSA-N	405.672	4.518	50	20	HJGD	
O=C(NNC(=O)N[C@H]1C[C@H](c2ccccc2)C1)Nc1ccc(-c2ccccc2)cc1	798092340	VDQGPNVESDAQDY-AQYVVDRMSA-N	400.482	4.636	50	20	HJGD	
Cc1sc(CC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)nc1C(C)C	802037628	NTPJBSNQUOKQRN-UHFFFAOYSA-N	408.527	4.637	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2noc(C(F)F)n2)cc1	807151648	LVBDUMNTTUGTNC-UHFFFAOYSA-N	416.281	4.589	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccco3)no2)c(C)n1C1CCCCC1	897256624	CWIYGNFZQKQVCQ-PDGQHHTCSA-N	420.469	4.904	50	20	HJGD	
Cc1ccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1	912596601	NOXJSEKTUHHSSG-SIKLNZKXSA-N	405.523	4.602	50	20	HJGD	
O=C(Nc1ccccc1N1CCCC1=O)NN(Cc1ccccc1)c1ccccc1	915335763	OCOZNFWYRHMMMI-UHFFFAOYSA-N	400.482	4.557	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1ccc(C)cc1	915902533	CZVOZHCIAJTPTP-QFIPXVFZSA-N	417.509	4.523	50	20	HJGD	
COCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	916058574	VNOMOUZGSYVEAY-MOSHPQCFSA-N	403.457	4.925	50	20	HJGD	
O=C(NCc1ccccc1Cn1ccnc1)NNc1c(Cl)cc(Cl)cc1Cl	916230647	HXGOXGCMVMECMW-UHFFFAOYSA-N	424.719	4.718	50	20	HJGD	
COc1ccc([C@@H]2CCCN2CCP(=O)(c2ccccc2)c2ccccc2)cc1	917039165	SQVNNITWYHERBA-VWLOTQADSA-N	405.478	4.846	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	918099995	KVTREEQQLPPZOP-GOSISDBHSA-N	406.313	4.603	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	918225302	WPCRGNYMHGEHDG-UHFFFAOYSA-N	422.703	4.853	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1	918564850	AFYMEPYTIDQXHN-POEBIKTISA-N	423.944	4.599	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(F)c(F)c2)c(C)n1C[C@H]1CCCO1	918953361	SGFTUAZCOSARNI-RYTKBHFFSA-N	414.452	4.774	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1	920298420	LYPMPTHUUDZTHH-BRFSQIRFSA-N	418.415	4.811	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2noc(C(C)(C)C)n2)c(C)n1-c1ccccc1F	920493187	NDBFKBHNBYJHRB-GZTJUZNOSA-N	422.460	4.564	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(CN(C)CC)c2)c1C	921087641	HLOLVLXQOJONFA-BUVRLJJBSA-N	406.574	4.580	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cscc3OC)CCC2)cc1	1786443796	MCMWPSALJFQQGY-KRWDZBQOSA-N	420.962	4.912	50	20	HJGD	
CCCCCc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](Cl)CC)cc1	1800074355	UZLZCRWKCUBELD-CIAFKFPVSA-N	419.009	4.617	50	20	HJGD	
CN1/C(=C(/C#N)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)Nc2ccccc21	16724788	BHQNOGYITYTZCJ-WJDWOHSUSA-N	424.835	4.712	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(F)cc1	59306262	NKMZRVAWWRYHPT-BKUYFWCQSA-N	416.452	4.637	50	20	HJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1C	212641657	RNEFEMMWQRXCOP-IUXPMGMMSA-N	405.479	4.692	50	20	HJGD	
Cc1nc(SCC(=O)/C(C#N)=C2\Nc3ccccc3N2C)n(C2CCCCC2)c1C	302777621	YKRNBLCYOWAKKU-RELWKKBWSA-N	421.570	4.963	50	20	HJGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	729623460	JRBGPFOOGKKLJN-KUHUBIRLSA-N	417.962	4.765	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1OCCC(C)C	732714918	HIZBZUAFUWNRDW-YBEGLDIGSA-N	410.436	4.580	50	20	HJGD	
O=C(CSCc1ccc(F)cc1)NNc1ccc(Br)cc1Cl	733808100	KUSQGLNUBZKWQR-UHFFFAOYSA-N	403.704	4.618	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1cccc(Nc2ccccc2)c1	735647002	FHQBAEPGNHFKHC-UHFFFAOYSA-N	409.486	4.513	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1[N+](=O)[O-]	739426348	KMFXVHBUJKODBD-SDQBBNPISA-N	406.225	4.764	50	20	HJGD	
Cc1ccc([C@@H](O)CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)o1	741397800	WJDYTKPUCASYRP-FZMZJTMJSA-N	408.829	4.662	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1	746305124	XSRXXLNGXXCYOM-UHFFFAOYSA-N	413.871	4.609	50	20	HJGD	
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NNc1ccc(C(F)(F)F)cc1	747589869	SDUQCGVBLQJGMR-UHFFFAOYSA-N	424.810	4.875	50	20	HJGD	
CSc1nc(-c2ccco2)nc(C)c1C(=O)NNc1cc(Cl)ccc1Cl	748510519	HYABXYSUGNEVLM-UHFFFAOYSA-N	409.298	4.831	50	20	HJGD	
O=C(Cc1coc2cc3c(cc12)CCC3)NNc1ccc(OCC(F)(F)F)cc1	748702569	VUFWNPVFAQRPNO-UHFFFAOYSA-N	404.388	4.548	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1	752407706	KQPJTVCBKVWPLW-SSQLKXLMSA-N	410.514	4.953	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cccc(COc2cccc(F)c2)c1	754471106	CXSWTOHZIUBFCX-UHFFFAOYSA-N	414.440	4.619	50	20	HJGD	
COc1ccc(C(=O)Nc2ccc(C(=O)NNc3c(C)cc(C)cc3C)s2)cc1	758291412	IOOVZRADJHNVET-UHFFFAOYSA-N	409.511	4.691	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(OCCBr)c(Cl)c3)nc12	763102348	XDSKKTYRNIPZKH-MDWZMJQESA-N	417.694	4.758	50	20	HJGD	
Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc(CCCl)cc1	767658299	NBXANSSYFOGEDD-QGZVFWFLSA-N	405.869	4.748	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccc([N+](=O)[O-])cc1)c(C)n2C1CCCC1	768247079	RBKLRWJCCHVQAV-UHFFFAOYSA-N	408.458	4.739	50	20	HJGD	
CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NNc3ccccc3C(F)(F)F)cc2C1	769434302	JUSDTBZGGCJXQB-UHFFFAOYSA-N	421.419	4.713	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2c(Cl)cnn2C)c(C)n1Cc1ccccc1Cl	780146015	BZBIEPJIVFYRGE-CXUHLZMHSA-N	413.308	4.983	50	20	HJGD	
Cc1nc2cc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)ccc2s1	781199911	HOLFHPKXGZJBDA-JYWRCUDFSA-N	420.538	4.748	50	20	HJGD	
CC(C)[C@H]1C[C@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)CCO1	781970505	PFYNZRUCDQBWOU-IAQYHMDHSA-N	423.273	4.752	50	20	HJGD	
O=C(/C=C\c1ccsc1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783463622	UTHBEDXRXKVECW-BHQIHCQQSA-N	419.418	4.924	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2csc(-c3ccc(C)cc3)n2)cc1	787155516	RPZBUEOFBRMABY-JJBLJPBOSA-N	403.507	4.912	50	20	HJGD	
CC[C@@H](C#N)Oc1cc(CNC(=O)NNc2cc(Cl)cc(Cl)c2)ccc1OC	790353999	FGGVWCBYKFUUKZ-INIZCTEOSA-N	423.300	4.509	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3ccc(F)cc32)c(C)n1C[C@H]1CCCO1	794055499	IUNCSCZJIUDASH-FGIBNMPPSA-N	421.516	4.524	50	20	HJGD	
CCCN(N=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1)C(=O)OC(C)(C)C	794996307	GOCDEUGJVTXDOK-UHFFFAOYSA-N	411.550	4.762	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(N3CCOCC3)ccc2C)c1C	797598611	AKFFMESVZUJNFT-JCMHNJIXSA-N	420.557	4.596	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ncnc(Cl)c1C(C)C	798143191	ZJYSVWYYCPJCAV-UHFFFAOYSA-N	405.886	4.581	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)c3ccc(Br)s3)s2)cn1	800791111	FCBYGBHQSQJFEJ-UXBLZVDNSA-N	404.314	4.762	50	20	HJGD	
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NNc1cc(Cl)cc(Cl)c1	803189597	JIEIQAPIGYHUSV-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
COC(=O)Nc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	804610264	YHMIGBROWOYNMN-BKUYFWCQSA-N	422.529	4.553	50	20	HJGD	
CC(C)c1ccc2occ(C(=O)NNc3nc(-c4ccccn4)nc4c3CCC4)c2c1	806938173	XLWFTLUVZJCXNL-UHFFFAOYSA-N	413.481	4.654	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cccc2cccc(Br)c12	807036991	JABTUWCMTJJIQE-UHFFFAOYSA-N	416.222	4.835	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cnn(CC(C)C)c2C2CC2)c1C	807725346	RIIOQRUULLQBGX-GVLJNOETSA-N	423.561	4.588	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c3cc(C)on3)c2C)cc1	810794866	FDLHLMXNBAUXBY-LSPINASFSA-N	405.454	4.611	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(\C#N)c3cc(C(F)(F)F)ccn3)cnc12	812248937	UTYAXIULBFTFBO-VZUCSPMQSA-N	407.193	4.883	50	20	HJGD	
CCSc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	814143576	DEXVFWGFCXHHQW-JFLYLQGUSA-N	423.582	4.619	50	20	HJGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1sc(-c2ccccc2F)nc1C	814780553	YJPIQTVFRQWZMB-UHFFFAOYSA-N	421.295	4.502	50	20	HJGD	
COc1ccc(NNC(=O)c2cccc(-c3ccccn3)c2C)c(C(F)(F)F)c1	816703922	ZCSNAHSCAJZETI-UHFFFAOYSA-N	401.388	4.841	50	20	HJGD	
Cc1cccn2cc(COc3ccccc3C(=O)NNc3cccc(Cl)c3)nc12	841265296	QTMYYQAPCOMDKU-UHFFFAOYSA-N	406.873	4.632	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNC(=O)Nc1ccc(Cl)cc1	864235198	LFERONPUAQKNCA-UHFFFAOYSA-N	421.309	4.512	50	20	HJGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1[nH]c(-c2ccccc2)nc1C	915112171	XIGSQKNAXRRYOR-UHFFFAOYSA-N	415.522	4.592	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cn1	916400151	TYYXEFLCNMACCP-JAIQZWGSSA-N	404.901	4.674	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)N[C@H]1CCSc2c(F)cccc21	916556815	PPSBBYJEMXDIJH-ZDUSSCGKSA-N	414.275	4.591	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)N[C@@H](c1ccccc1)C1CCCC1	918230826	SBBYFGWPQDDJIX-NRFANRHFSA-N	415.534	4.570	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(C(F)(F)F)cc1	920038048	YDMBSOLFBILXBN-CQSZACIVSA-N	400.400	4.813	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3c(F)cccc3F)CCC2)cc1	1790488389	CHYOQLNDEQJTJW-QGZVFWFLSA-N	420.887	4.659	50	20	HJGD	
C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1	1814439984	IBYJKAXSZWOINX-INIZCTEOSA-N	408.974	4.659	50	20	HJGD	
CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1	1814699241	JNXMQINRHGZASW-NVXWUHKLSA-N	410.990	4.883	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](C)c2ccccc2)n[nH]1	1822043974	CPICZWDKHMHHLJ-IEZWGBDMSA-N	416.953	4.613	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(C)C)CCC2)CC1	1824617766	DNMAFWNWBGQNLZ-VQTJNVASSA-N	411.030	4.840	50	20	HJGD	
CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)cc1	1831598748	XRQJZRQIDGUDGV-IFMALSPDSA-N	422.972	4.507	50	20	HJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	7167606	BDPDZNNPNZHCHQ-NGWPFTMJSA-N	409.442	4.671	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1OC	7212144	IFLXHTVKXTYWTF-CXUHLZMHSA-N	406.404	4.864	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccccc1C(=O)NCc1cccnc1	143357982	GEBSSAYOVLZCFD-QGZVFWFLSA-N	415.584	4.664	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccsc3)no2)c1C	302775568	QGWSZLYNPMQCES-ZDLGFXPLSA-N	410.499	4.667	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(OCC(F)(F)F)cc1	726707880	GTUFLVSTBHWYOH-LLVKDONJSA-N	419.350	4.616	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)C(C)(C)c2ccccc2)c1C	728002716	GLJFMPBMBSKMDQ-TURVHCDRSA-N	407.558	4.702	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)Cc2cccc(OCc3ccccc3Cl)c2)o1	729968674	XNLFGEKWZIYJBW-UHFFFAOYSA-N	424.888	4.588	50	20	HJGD	
C[C@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(C)(C)C	734337764	ZDPLFVZSJGTZTO-YAJBTMAUSA-N	423.948	4.823	50	20	HJGD	
CC(C)=CCSc1ccccc1C(=O)NNC(=O)Cc1ccc2ccccc2c1	741283659	YYKSMZWKOSILKL-UHFFFAOYSA-N	404.535	4.902	50	20	HJGD	
COc1ccc(Cl)c(NC(=O)NNC(=S)Nc2ccc3ccccc3c2)c1	741864009	OSCHIZUVZFIADA-UHFFFAOYSA-N	400.891	4.525	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C)Sc2ccccc2)c1C	742788697	VOWOOWFSJFOWET-KQWOTGNYSA-N	411.571	4.516	50	20	HJGD	
Cc1ccc(CCNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1	743564493	MLMBKAXMZHCVNE-UHFFFAOYSA-N	402.498	4.549	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1	744501556	FVJFRICQZNWPPN-GEYFNICTSA-N	412.489	4.864	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)ccc1NC(=O)CC(C)C	746893724	FMPUXXPVPPKBOU-UHFFFAOYSA-N	418.419	4.627	50	20	HJGD	
Cc1noc(C)c1N(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	747879893	SOWNKZYRXJXASG-WOJGMQOQSA-N	408.889	4.922	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3ccc(Br)cc3C)cs2)c1	748730439	NPESQCRZTSLVBQ-UHFFFAOYSA-N	416.344	4.875	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c(O)c1	752979299	ZQWLLZIPLVRYOU-UHFFFAOYSA-N	411.352	4.825	50	20	HJGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3cc(C(F)(F)F)ccc3F)cc2F)n1	754143665	QSSFPCCBCPUOKT-UHFFFAOYSA-N	410.346	4.543	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccccc1COCc1ccccc1)c1ccccc1	755925335	ZVVRWOMUIMJOPL-JOCHJYFZSA-N	417.509	4.750	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1cccc(NC(=O)c2ccccc2)c1	769966570	PYYSOYNONZZXOO-UHFFFAOYSA-N	400.360	4.505	50	20	HJGD	
Cc1cccc(CCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	773150785	NMZMFNNVPSBHJS-UHFFFAOYSA-N	408.392	4.950	50	20	HJGD	
CSC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773413590	HNLZDHLJHOUQEQ-LLVKDONJSA-N	404.426	4.637	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)CCCC(F)(F)F)c(C)n1C[C@H]1CCCO1	774724559	WPGZKZQXQZPKDX-FTTGBDFDSA-N	412.452	4.855	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(Br)c1OC(F)F	776725386	LGVDYFZOYQBGEY-LCYFTJDESA-N	407.214	4.905	50	20	HJGD	
O=C(NN=Cc1cccc(Br)c1OC(F)F)c1cc2ccccc2o1	776777037	JBTVUTJNGAFKRC-UHFFFAOYSA-N	409.186	4.561	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C	777483019	ZQUCEASCPRCNTE-QGZVFWFLSA-N	412.493	4.844	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cccc(C(=O)OC(C)(C)C)c1	777871206	ZGNXLSRACJPYHG-LDADJPATSA-N	422.481	4.553	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1csc(Cc2cccc(F)c2)n1	780656210	GLHJDPUEFLVRBB-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
C[C@@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)[C@H]1CCCN(C2CCC2)C1	781400050	CXJIXSSSRAAKEB-IRLDBZIGSA-N	406.574	4.560	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c(F)ccc(C)c1Br	787464544	PITUJRPMFXPFDK-UHFFFAOYSA-N	416.088	4.724	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(Br)cc2)c1C	789930893	JCPWFOUYKAVXDL-AYCSXLNKSA-N	417.303	4.587	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1	792343499	DMWJMOOMBCLFHB-UHFFFAOYSA-N	409.195	4.787	50	20	HJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	793709719	CTTFXEAHUIMHDL-UHFFFAOYSA-N	400.360	4.551	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(-c2ccccc2)noc1CC	793811600	IYRDGVTXLLEGLM-UHFFFAOYSA-N	414.303	4.986	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3c(OC)cc(OC)cc3OC)n2)cc1	794699566	NLVWRNLOLSZIQO-OQLLNIDSSA-N	408.479	4.909	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)[C@@H]1CCCOC1	794884541	PZFSCBAPLKZMJA-ZJYZBMPFSA-N	401.441	4.581	50	20	HJGD	
COc1cc(/C=C\C(=O)NNc2c(C)cccc2C(C)C)cc(Br)c1O	794950941	AJWWIOGAUYZBID-HJWRWDBZSA-N	419.319	4.752	50	20	HJGD	
CCCN(N=Cc1cc(Br)c(OC)c(OCC)c1)C(=O)OC(C)(C)C	794996011	NSRVFEHUDQBBFE-UHFFFAOYSA-N	415.328	4.837	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2ccc([N+](=O)[O-])cc2C)c(C)c1	805383371	YPFBATMENHXAMY-UHFFFAOYSA-N	408.483	4.823	50	20	HJGD	
COc1ccc(-c2cc(C(=O)N(C)CC(Cl)Cl)c3ccccc3n2)cc1OC	808246052	OJFNARGRSGHEET-UHFFFAOYSA-N	419.308	4.795	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc(CN(C)C)c2)c(C)n1C1CCCCC1	914765201	FLEZZXMHBFSOBV-BUVRLJJBSA-N	418.585	4.895	50	20	HJGD	
O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)NN(Cc1ccccc1)c1ccccc1	915346548	DVDIWDYHGPQPQS-DEOSSOPVSA-N	417.509	4.988	50	20	HJGD	
N#C/C(=C\c1cccc2c1OCO2)C(=O)Nc1nc(-c2ccccc2Cl)cs1	915985238	RLNONTGITNFASY-MDWZMJQESA-N	409.854	4.738	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	916336600	JSVKBBQMZGAOCS-IBGZPJMESA-N	412.493	4.560	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OC(F)F	917145411	RXHZFCYWTQHSEF-GHXNOFRVSA-N	423.213	4.605	50	20	HJGD	
O=S(=O)(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(CCCl)cc1	917848015	XHDACZCQBBHFQP-UHFFFAOYSA-N	414.886	4.670	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1	919864731	VRQCDYAYUMNIJG-XMHGGMMESA-N	424.928	4.510	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)Cc2ccc(OC)c(OC)c2)c1C	921241245	SYRAVOSCGGJZOR-PXLXIMEGSA-N	423.557	4.878	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCCO2)C(=O)c1ccccc1F	921265730	RBTMQFCQSHUUPT-JYRVWZFOSA-N	402.219	4.539	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)/C=C\c3ccccc3)cc2)cc1	934148161	UJQJMNFTRCWLND-IUXPMGMMSA-N	420.534	4.799	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(Nc3ccccc3)CC2)c(C)n1CC(C)C	1115902393	SVVKJFKPESCIQM-JCMHNJIXSA-N	404.558	4.771	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)c1C	1318941942	QWOIJLGRAASHMA-PNDHZVEESA-N	417.962	4.737	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1	1785797583	VQCHMNHTLZDCOC-OAQYLSRUSA-N	423.944	4.642	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc[nH]c4c3)CCC2)cc1	1786010386	IMJSXHKXZFJRRW-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccn3)CCC2)cc1	1786012848	ZHVZOLZFUXFSRU-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
O=C(CCc1ccc(F)c(F)c1)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788581051	SVDCLQCDGXJKHZ-LJQANCHMSA-N	424.850	4.566	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(C)s2)CC1	1832173646	LMBKHKWWRGYWTK-JNTVOPSESA-N	423.022	4.707	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)C(=O)c3cccc(OC)c3)cs2)cc1	63277543	ACEIVXQMOGRUAI-YBEGLDIGSA-N	406.463	4.529	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)c1cccc(OCc2cccc(Cl)c2)c1	108815874	UHCIYPRSIQNYHU-UHFFFAOYSA-N	415.276	4.647	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc3cccnc23)c(C)n1CCC(C)C	303039901	ZPNPBXHREPKIFT-UCQKPKSFSA-N	400.526	4.923	50	20	HJGD	
O=S(=O)(Oc1ccc(OCc2ccncc2)cc1)c1ccc(CCCCl)cc1	726974667	NWYBRWSOMQNEQR-UHFFFAOYSA-N	417.914	4.600	50	20	HJGD	
COc1ccc(C(=O)NN=C(CCc2ccccc2)C(C)C)cc1Br	731935237	XFXVEJINBSBLFY-UHFFFAOYSA-N	403.320	4.832	50	20	HJGD	
CC(C)S(=O)(=O)Cc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1	732782329	GGRCMBLSROOTHO-QGZVFWFLSA-N	401.619	4.662	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](CC(C)C)c2ccccc2C)c2ccccc2n1	732894886	RYDZLUFHQIVLDD-QFIPXVFZSA-N	404.514	4.583	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)c1C	741944159	ZFIOTFWJMKNFAY-DEDYPNTBSA-N	403.486	4.809	50	20	HJGD	
Cc1ccc2nc(CNC(=O)/C(C#N)=C/c3cc(C)n(CCC(C)C)c3C)[nH]c2c1	744739991	SEQLVRCCMGXSIR-UDWIEESQSA-N	403.530	4.559	50	20	HJGD	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	747999840	BSVFAVCWTXDXHB-UHFFFAOYSA-N	424.482	4.789	50	20	HJGD	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNc1ccc(C#N)cc1	748101836	IVRCPUQUVMFDOA-UHFFFAOYSA-N	410.886	4.591	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(CN(C)C)ccn2)c(C)n1C1CCCCC1	748742353	DVCAABMMPFEQSI-STZFKDTASA-N	405.546	4.612	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](c2ccccc2C)C(C)(C)C)c2ccccc2n1	751103556	RNCZMZHEDBULPP-OAQYLSRUSA-N	404.514	4.583	50	20	HJGD	
CC(C)Sc1ccc(Cl)cc1NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	756424628	VGXKRJWONGXMPV-UHFFFAOYSA-N	416.934	4.717	50	20	HJGD	
Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)NNC(=O)c3ccncc3)cc2)c1	756688367	ZRBZZLLHGQGMOF-UHFFFAOYSA-N	418.497	4.559	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1	757020843	BDHZMLYGJHMVFY-GZTJUZNOSA-N	408.841	4.962	50	20	HJGD	
COC(=O)[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(Cl)c(F)c1	760081104	QFXUEEZDBZUJBV-MLGOLLRUSA-N	405.944	4.524	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O	760653139	KCRROFGCWITLAN-SBHAEUEKSA-N	411.608	4.730	50	20	HJGD	
COc1nc2ccccc2cc1/C=C(\C#N)C(=O)Nc1ccccc1Br	764107137	IJBVCKXTSGBBHW-RVDMUPIBSA-N	408.255	4.552	50	20	HJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)cc1	764330203	XWYPHFZFRVSYQU-CQSZACIVSA-N	415.484	4.617	50	20	HJGD	
CSCc1ccccc1NC(=O)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	766262003	PMRLFQMYAJUQTM-UHFFFAOYSA-N	418.733	4.592	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2cccnc2)c1	766486191	YNVGRHNWTPYDFZ-WOJGMQOQSA-N	419.868	4.868	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cccc(Oc2ccncc2)c1	771674573	IXDWDKBSKPITOD-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
Cc1nc(CCC(=O)NNc2ccc(Br)c(F)c2)oc1-c1ccccc1	771681829	LKGGRRGSIPSMQH-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
COc1cccc(Cn2ccc3ccc(NC(=O)/C(C#N)=C\c4ccc(O)cc4)cc32)c1	787483780	SZCLMOKHAMUBOF-BKUYFWCQSA-N	423.472	4.949	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1	788329709	XNOKGZYVYCXCTK-MHWRWJLKSA-N	414.446	5.000	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(Cl)c1	794744416	HKTDDUGREQNIML-UHFFFAOYSA-N	424.913	4.821	50	20	HJGD	
CSc1c(F)cccc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804210616	PIHQZTQDPVUWCE-UHFFFAOYSA-N	422.407	4.780	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2cccnc2Cl)cs1	810494425	RXQCUGYPMVATEW-UHFFFAOYSA-N	404.898	4.727	50	20	HJGD	
COc1cccc(-c2noc([C@H](C)NCc3ccc(OCCCCl)cc3)n2)c1	811495449	LMXBPTGDOKCVLS-HNNXBMFYSA-N	401.894	4.604	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1	811627423	AYVXLOPHVAIEOD-DKTFCQPKSA-N	420.252	4.695	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1	812244831	IYQLJXBMEPQONC-XKOZXHHJSA-N	417.265	4.926	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2ccccc2Oc2ccccc2C#N)cc1C	812725341	ZYDNFMSPHAHAST-UHFFFAOYSA-N	415.449	4.593	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)C2CCN(C(C)C)CC2)c1C	904219592	QCTBUKOHUUTDAS-KQWNVCNZSA-N	418.585	4.641	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc3ccccc23)c(C)n1C[C@@H]1CCCO1	914478392	KYLXSMZIANUZOS-PQBKBUHISA-N	413.521	4.661	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2cccc(F)c2)C2CC2)c(C)n1C[C@@H]1CCCO1	914487410	JPJOFHNTSCHPRF-GXPYYPFNSA-N	421.516	4.521	50	20	HJGD	
CCCOc1c(Br)cc(C=NNC(=O)c2ccccc2F)cc1OCC	916542337	YUDFQTFUQTZNRT-UHFFFAOYSA-N	423.282	4.540	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OCCCc2ccccc2)c(-c2ccccc2)n1	916602026	OZMBMAHEKADSEW-XLNRJJMWSA-N	410.477	4.547	50	20	HJGD	
N#C/C(=C\c1ccc(-c2cccs2)cc1F)C(=O)Nc1ccc2c(c1)OCCO2	917518157	WPIWJHJRUAROCT-MHWRWJLKSA-N	406.438	4.871	50	20	HJGD	
Cc1c(/C=C(/C#N)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)cc(C#N)n1C	1326095883	OXGAZUGGSSCSOI-ODLFYWEKSA-N	408.465	4.727	50	20	HJGD	
Cc1nnc(-c2ccccc2NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)o1	1337446725	RCBIMFNOQHEXKY-ODLFYWEKSA-N	403.486	4.665	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cc2[nH]ccc2s1	1788584349	BHDRKKDITREYIR-MRXNPFEDSA-N	405.882	4.512	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCCc3ccncc3)CCC2)cc1	1790487569	CONQNBDYWBRSPX-HXUWFJFHSA-N	413.949	4.556	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)[nH]n1	1815321641	DTIXHJSDFNUZSF-IEBWSBKVSA-N	416.953	4.740	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC)cc1Cl	16439956	CJRSRYLTZPIIQB-KPKJPENVSA-N	421.678	4.665	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1OC	727263933	KBXBALZAJWYGGT-KPKJPENVSA-N	410.779	4.922	50	20	HJGD	
COC(=O)Nc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)ccc1F	727335203	PACRUSJINDKXEY-MFOYZWKCSA-N	412.465	4.624	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)c(C)n1CC(C)C	728494339	IMYOVMASKTWTQK-HYARGMPZSA-N	419.525	4.510	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1CCN(CC2CC2)C1	731107430	ANDJTAMHZNUJCH-WFASDCNBSA-N	407.889	4.512	50	20	HJGD	
Cc1ccc(NCC(=O)NNC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c1	731759830	VGTWJZKJTZLRCV-UHFFFAOYSA-N	422.337	4.698	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccccc1	731930855	PAUJZQXVXQHSSQ-HXUWFJFHSA-N	421.497	4.523	50	20	HJGD	
Cc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1Oc1cccnc1	732712790	PTDFRCFJEFRHHY-UHFFFAOYSA-N	411.461	4.865	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)c1	733083807	QUGJRUOAIARRLS-CXUHLZMHSA-N	404.451	4.881	50	20	HJGD	
CC(=NNC(=O)c1sc2nc(C)cc(C)c2c1N)c1cccc(-c2ccncc2)c1	741462442	PFSSCTARZDGTBU-UHFFFAOYSA-N	415.522	4.711	50	20	HJGD	
O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NNc1ccc(Cl)nc1	743819471	RHJQTCLWVWKOJK-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)[C@@H]1CCCN(c2ccccc2)C1	746462953	ZQOXZEADBAWNGG-XMMPIXPASA-N	418.521	4.601	50	20	HJGD	
Cc1ccccc1-c1nc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cs1	746897340	URGUIXVELBEMCC-UHFFFAOYSA-N	402.401	4.766	50	20	HJGD	
N#Cc1ccc(OCc2ccc(C(=O)NNc3ccc(Cl)cc3Cl)o2)cc1	748009701	RZLKORZTCXBDQA-UHFFFAOYSA-N	402.237	4.794	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3ccc(OCC(F)(F)F)cc3)cs2)c1	748695720	QXHOBSMGEXNEOE-UHFFFAOYSA-N	421.444	4.745	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2Cl)c(C)n1CC(F)(F)F	748785186	SAPODTZTCDSDAN-UHFFFAOYSA-N	424.648	4.840	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1C	751444087	VQADPRWATALREU-OVCLIPMQSA-N	400.862	4.528	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H](CCO)C1CCOCC1	752986026	XRZPUSKIEPRKIM-AWEZNQCLSA-N	404.401	4.643	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(OCCBr)c(Cl)c3)nc12	763102346	XDSKKTYRNIPZKH-JYRVWZFOSA-N	417.694	4.758	50	20	HJGD	
COc1cc(C(=O)NNc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1	768506539	DIBLIWHRDLFHAH-UHFFFAOYSA-N	422.872	4.561	50	20	HJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1ccc(Br)c(F)c1	771682456	UERVHFKNIOYCSU-UHFFFAOYSA-N	410.246	4.884	50	20	HJGD	
C[C@H](c1cccnc1)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773073242	KWHPJUXDXWRKER-LLVKDONJSA-N	409.380	4.897	50	20	HJGD	
COC1CCC(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	773378701	DLWSUYPIJOPEOD-UHFFFAOYSA-N	416.412	4.604	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1cccc(COc2ccccc2)c1C	773770689	LCXKGKQCUMPJON-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
O=C(COc1cccc(NC(=O)NNc2cccc(Cl)c2)c1)Nc1ccccc1	775524632	UMTMSYIBARRQPP-UHFFFAOYSA-N	410.861	4.506	50	20	HJGD	
C[C@H](NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1=CCN(C)CC1	781396594	PBXBWDYITAVJFH-XHDPSFHLSA-N	407.889	4.678	50	20	HJGD	
O=C(O)c1cccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	781658484	BOEKWLCMCBSVCQ-UHFFFAOYSA-N	403.350	4.843	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)c1nccnc1C	783507634	LHYAEQHBHSZHAQ-UHFFFAOYSA-N	410.477	4.671	50	20	HJGD	
COc1cc(NNC(=O)Cc2csc(-c3ccccc3Cl)n2)ccc1Cl	790174865	LWUOMRKEXRUPFY-UHFFFAOYSA-N	408.310	4.811	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797407914	ZIUDADWBNNPIRS-RVDMUPIBSA-N	406.511	4.867	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1ccccc1Oc1cccc(Br)c1	804773695	ZRKHBWHNHMVVAF-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC3CCCC3)c2)c1C	913012448	QCJWZWXLJHUABI-ZHZULCJRSA-N	407.514	4.618	50	20	HJGD	
CCCN(C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C)[C@@H](C)c1ccccc1OC	914507110	BSROROIQGROBBM-RAGBYUADSA-N	423.557	4.667	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCOc2ccccc2-c2ccccc2)c1	915268591	KBQYZVLXWPSVPB-UHFFFAOYSA-N	419.550	4.757	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(OCc3ccncc3)cc2)c1	915938022	AEGNISOUGGPVMM-UHFFFAOYSA-N	417.509	4.622	50	20	HJGD	
CS(=O)(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	918156409	PUXMXXVPZOKQNN-XNTDXEJSSA-N	400.912	4.931	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1	918625150	RSTUUMJLXUCDQG-WJDWOHSUSA-N	405.885	4.712	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)NCc2cccc(C(F)(F)F)c2)cc1	921272701	YATDLCWGECEKDO-UHFFFAOYSA-N	424.492	4.749	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ncc(F)cc3F)CCC2)cc1	1786442789	QGSYFXFGSKTUGO-INIZCTEOSA-N	421.875	4.515	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccsc3)CCC2)cc1	1786444044	PICUNJPGWJBKMU-SFHVURJKSA-N	404.963	4.832	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](NC(C)C)C(C)C)cc2)CCC1	1788121177	KWYJMUDKEJXKKW-UXHICEINSA-N	422.013	4.551	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cc[nH]c4c3)CCC2)cc1	1790487123	RNRDUDUYNRSOMK-LJQANCHMSA-N	409.917	4.933	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1	1790487292	MFDRNRWSNSILKL-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cccc2ccncc12	1790858959	NVAGUTUIIKUVLH-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)CC1	1826512562	LGRXDIJGWWSZSU-YADHBBJMSA-N	419.009	4.565	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc2c(c1)OCO2	8055003	DPPKDXKYHYHOLI-LICLKQGHSA-N	403.413	4.508	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)ccc1O	212639418	ZISRARFSNJJISZ-SXGWCWSVSA-N	405.479	4.687	50	20	HJGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1sc(-c2ccc(Cl)cc2)nc1C	727651075	GZSUZEFWTNTMTM-UHFFFAOYSA-N	404.948	4.620	50	20	HJGD	
O=C(NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1)c1ccccc1	730552507	JUWORGVXAUWTMZ-CQXLTOIFSA-N	421.928	4.519	50	20	HJGD	
COc1ccc(CCC(C)=NNC(=O)c2sc(-c3ccc(OC)cc3)cc2N)cc1	730557838	RTNMAWAPORRBGH-UHFFFAOYSA-N	423.538	4.753	50	20	HJGD	
CC(C)N[C@H]1CCCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	732415915	GIALRMCUMQDPCY-WFASDCNBSA-N	409.905	4.900	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccccc1Oc1cccc(F)c1	733933081	OSEWWQJFOCVCTA-UHFFFAOYSA-N	401.869	4.600	50	20	HJGD	
C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NNc1nccc2sccc12	734248880	ZUIFOBWYPMPRRI-AWEZNQCLSA-N	404.495	4.597	50	20	HJGD	
O=C(CSCc1cccnc1)NNc1c(Cl)cc(Br)cc1Cl	742004872	FPXQOPVXSWVSPC-UHFFFAOYSA-N	421.147	4.527	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1	742852415	STQXDLNNYHCMID-WQRHYEAKSA-N	406.873	4.529	50	20	HJGD	
CC[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1nc(C(F)(F)F)cs1	745935814	RHALVLUAZBFPMF-SNVBAGLBSA-N	410.368	4.541	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(CCC(=O)NNc3ccc(Cl)c(F)c3)c2C)cc1	746697090	JMXRXUKGIJGEEY-UHFFFAOYSA-N	414.912	4.725	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccc(Oc2cccnc2)cc1	748076170	ASEHPCCZYGTNFN-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
N#Cc1ccccc1Sc1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1	748320207	IIQUQNMXMGOAEA-UHFFFAOYSA-N	414.412	4.880	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c1	748785711	QSPUDARKYMKAEH-UHFFFAOYSA-N	410.232	4.765	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(F)(F)F	750895053	CZTPYIDZKHNNRO-MHWRWJLKSA-N	404.388	4.881	50	20	HJGD	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752980225	GGLIRKRFSRQDNV-UWVGGRQHSA-N	410.430	4.629	50	20	HJGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNC(=O)c3c(Cl)cccc3Cl)c2)n1	757675529	CBKLEBLAGUVRHL-UHFFFAOYSA-N	419.268	4.732	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1	758925594	BGAILYQURCZIMY-IZQLPPHKSA-N	417.465	4.964	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(C(F)(F)F)cc2)c1C	760664787	NESQFHSMKHTRMX-SMLKNPDNSA-N	420.431	4.982	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)c(Br)c1O	761015981	SWJXHDINDVZKRP-OQLLNIDSSA-N	415.287	4.634	50	20	HJGD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	764140694	UZLDEPKJGKTMFV-LICLKQGHSA-N	419.268	4.727	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)C(=O)Nc1ccc(Cl)cc1Cl	780146050	CERPEKIZAUGFPQ-CHHVJCJISA-N	415.255	4.923	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1	780375807	ZUZOEMJHTATEJD-RQZCQDPDSA-N	406.367	4.767	50	20	HJGD	
CC/C=C/CCOC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	781869167	OSSNKVXUWWDMNW-FLKBXELESA-N	408.889	4.924	50	20	HJGD	
CCc1ccccc1COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	782234270	OECQHBIOJPMKOQ-JCMHNJIXSA-N	410.477	4.677	50	20	HJGD	
Cc1ncsc1CN(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981958	IIBVBWXMCHYODD-UHFFFAOYSA-N	408.439	4.930	50	20	HJGD	
COc1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)ccc1NC(=O)OC(C)(C)C	785337338	PNAVBMCTLPDGGB-PTNGSMBKSA-N	411.433	4.727	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc3ccc(OC)cc3c2)c1C	790240003	RKZBANLDOIAOLB-CBVHTYNASA-N	418.493	4.987	50	20	HJGD	
CCN1CCc2nc3ccccc3c(C(=O)NNc3cc(Cl)cc(Cl)c3)c2C1	791734158	JBRLHWDZWHJJRF-UHFFFAOYSA-N	415.324	4.677	50	20	HJGD	
COCCc1ccnc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	795616581	NPBZFLPAFQDLPY-UHFFFAOYSA-N	418.409	4.729	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2c(F)cccc2F)c1C	797026014	RUKWYRAPWRASOY-PNVSCOIYSA-N	402.441	4.802	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(C(C)(C)C)nc2)c1C	797293396	CGQJKKCWGCSAKU-BYINCCNUSA-N	409.530	4.655	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cnc3c(F)cccc3c2)c1C	806086723	USMXKFSNPDQVNU-LIQPLZLLSA-N	421.472	4.650	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1C	810173721	HOVKGNQPISXSKD-CJRWDLSJSA-N	405.542	4.795	50	20	HJGD	
CCSc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1	814143578	DEXVFWGFCXHHQW-WCCCRJGXSA-N	423.582	4.619	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3ccccc3)CC2)c1C	881442301	DIOJTUNWYCUXQQ-OQLNFPPLSA-N	405.542	4.626	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2cccc(Br)c2)cn1)c1ccccc1	916981234	GOTUYXUOPLZFCI-CQSZACIVSA-N	412.287	4.741	50	20	HJGD	
CC(C)(C)C(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2	918585043	SVYFEJUAVYPMRS-PFONDFGASA-N	403.482	4.512	50	20	HJGD	
COc1ccc(C(=O)NN=C(C)CCc2ccc(OCC=C(C)C)cc2)cc1OC	920359581	CKOOQTMQSMMRBV-UHFFFAOYSA-N	410.514	4.787	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2cccc(OC(C)C)c2)cc1	921262129	QGFSFMJEGQKIDC-MOSHPQCFSA-N	400.482	4.822	50	20	HJGD	
CCc1ccc(-c2nc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])cs2)cc1	1319113680	WVGVYJJTWZQOFC-UHFFFAOYSA-N	402.863	4.691	50	20	HJGD	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NNc1ccc(C(C)(C)C)nn1	1320122014	RAGWNSJIYSNRRJ-UHFFFAOYSA-N	419.407	4.513	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(Cl)c3)CCC2)cc1	1786444508	UNTGZFPUQFTQER-QGZVFWFLSA-N	420.340	4.890	50	20	HJGD	
C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1789583886	QVQUKISLEBDLDZ-QFQMRYFISA-N	404.869	4.660	50	20	HJGD	
Cc1cccc(C)c1C(=O)NC1(c2ccc(NC(=O)CO[Si](C)(C)C)cc2)CCC1	1789649658	AZEMABOKSOYZEA-UHFFFAOYSA-N	424.617	4.903	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2nc(C)cs2)ccc1OCC(=O)Nc1ccccc1	8079604	YJNVULZJKAQHMO-WOJGMQOQSA-N	419.506	4.932	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	11289114	KWWRBJZSPDXYSI-GHRIWEEISA-N	402.406	4.589	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCOCC2)c(F)c1)C(=O)c1c(Cl)cccc1Cl	727266748	DZIXSDZSXJELJA-GXDHUFHOSA-N	405.256	4.759	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	729966857	VCNCBCXQTSIGRX-HXUWFJFHSA-N	412.461	4.568	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OC[C@H]2CCc3ccccc32)c(-c2ccccc2)n1	730927081	QLCNVMLVJTVJPQ-JHRFGPFWSA-N	422.488	4.644	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2sc3ccccc3c2Cl)c1C	734256673	IVVGWJSHOITUCK-UHFFFAOYSA-N	409.902	4.780	50	20	HJGD	
Cn1nc(-c2ccccc2)c2c(NC(=O)CCCC[C@H]3CCSS3)[nH]nc21	734470731	IPGGRUSEEJPASX-AWEZNQCLSA-N	401.561	4.616	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccccc2OCC(=O)NCC2CC2)cc1	734831977	AQCPZEWSDQYRCJ-STZFKDTASA-N	416.521	4.679	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1C	735264240	UYPAWNKHBUEYKV-OQLLNIDSSA-N	421.385	4.765	50	20	HJGD	
Cc1nc(C)c(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)s1	742088914	SJVHXJJMBGBRKZ-ZDLGFXPLSA-N	408.502	4.530	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc3c(c2)CC(=O)N3)c1C	748506638	GHOKQYDNOQPSAS-RHLNUJDMSA-N	405.498	4.611	50	20	HJGD	
Cc1ccc(-c2nnc(-c3ccc(C(=O)NNc4ccc(F)cc4C)cc3)o2)cc1	748549187	MRNJKLPSRSGQPQ-UHFFFAOYSA-N	402.429	4.916	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(-c2nc3ccccc3s2)o1	748637814	FAQAUVAHKQVFHB-UHFFFAOYSA-N	401.394	4.915	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(-c2ccccc2Cl)on1	748702655	JZZKYTSPUXZEGN-UHFFFAOYSA-N	411.767	4.693	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c(Sc2ccccc2)n1	748725481	FVDMKOUMVATACV-UHFFFAOYSA-N	414.874	4.860	50	20	HJGD	
O=C(NCc1cc(Br)ccc1OC(F)F)NNc1ccccc1Cl	750335780	QYCMTGIALNCUPV-UHFFFAOYSA-N	420.641	4.530	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1C	754674084	BILKRAFTSRVOFG-VXLYETTFSA-N	404.518	4.776	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1nc(C(F)(F)F)cs1	755859115	CZZCYAVPHRSUPV-UHFFFAOYSA-N	402.785	4.536	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1	759303137	GNQPOWSAIWBDBE-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
N#C/C(=C\c1nc2ccc(F)cc2s1)C(=O)Nc1nc2ccccc2nc1Cl	761390742	FKDVHVWFHWMTST-JXMROGBWSA-N	409.833	4.578	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)cc1Cl	768206424	KKFMIGWEJKKXTF-UHFFFAOYSA-N	422.275	4.961	50	20	HJGD	
O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NNc1c(F)cccc1Cl	770198259	NUDWINHETMZSKK-UHFFFAOYSA-N	410.301	4.866	50	20	HJGD	
Cc1sc(C(=O)NNc2ccnc(Br)c2)cc1-c1ccc(F)cc1	771548899	CDUJDDBUNDDSLO-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
CN(C(=O)c1cccs1)c1ccccc1C(=O)NNc1c(F)cccc1Cl	771672633	NGYXACIIDYLVTM-UHFFFAOYSA-N	403.866	4.574	50	20	HJGD	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NNc1c(F)cccc1Cl	771673613	HNZQXXAKECIOAN-UHFFFAOYSA-N	412.774	4.953	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])csc1Br	771855242	YKMBGHJLUXFJGY-UHFFFAOYSA-N	424.198	4.503	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(COc2cccc(C#N)c2)c1	777481686	GDHPGWUDYWCKEG-UHFFFAOYSA-N	408.461	4.751	50	20	HJGD	
Cc1c(C(=O)NN=c2cc[nH]c3ccccc23)oc2c(C)cc(Br)cc12	779377115	IZRURALTHYLECV-UHFFFAOYSA-N	410.271	4.539	50	20	HJGD	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1OC	787151745	QUXVDAPZWBZODO-FBJMNJBLSA-N	414.889	4.540	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)ccc1OCCC(=O)O	788362239	GMSWGJDHKNDRKR-YBEGLDIGSA-N	407.447	4.553	50	20	HJGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c(Br)c1	789130731	QHMCTTJTSBVWEJ-ZSOIEALJSA-N	409.239	4.507	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc(Br)c1O	794884289	HTYVWHVEFAWAAK-VIZOYTHASA-N	409.239	4.501	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	803537191	VUGBRNBUDCPYJQ-RBBKRZOGSA-N	404.645	4.825	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)ccc1Cl	804209517	CJHLNHWFJHHINC-UHFFFAOYSA-N	406.795	4.881	50	20	HJGD	
COC(=O)C(C)(C)CCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	806183686	JOEIYPSHFSXGQW-GFCCVEGCSA-N	412.861	4.617	50	20	HJGD	
COCCCOc1ccc(NC(=O)NNc2c(Cl)cccc2Cl)cc1OC	806624733	GLWDNFOFKDKRRM-UHFFFAOYSA-N	414.289	4.566	50	20	HJGD	
O=C(NCc1ccc(Sc2ccccc2)cc1)NNc1ccc2c(=O)[nH]ccc2c1	807003988	CWFGAWDUMKGQLT-UHFFFAOYSA-N	416.506	4.506	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(Br)cc1F	807562157	IDRRXRNVMJREGP-SECBINFHSA-N	418.213	4.577	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C2(Cc3cccs3)CCCCC2)c1C	810408172	YERGIJOZOARFAM-UHFFFAOYSA-N	421.570	4.853	50	20	HJGD	
CC(C)[C@@H](NCc1ccc(OCCCCl)cc1)c1nc(-c2cccnc2)no1	811487306	WAVUBUZTVOFNRQ-LJQANCHMSA-N	400.910	4.626	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNC(=S)Nc2cc(C)ccc2C)cc1	913425471	LPFBLOZXVRTSRQ-UHFFFAOYSA-N	424.595	4.604	50	20	HJGD	
CC(C)CC(CC(C)C)=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	915913651	ZYOONUCESXKHFV-UHFFFAOYSA-N	421.588	4.727	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1	916310485	UPMBNJVMSNPALQ-UHFFFAOYSA-N	404.558	4.523	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c(C)n1CC(C)C	916466835	KPRFGBYSPMVNKG-NIQJEMAJSA-N	421.541	4.864	50	20	HJGD	
CCOc1ccc([C@@H](C)NC(=O)NNc2ccccc2C(F)(F)F)cc1OCC	918172409	DBLMHBFFXGWOAX-CYBMUJFWSA-N	411.424	4.890	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1ccc(C(C)(C)C)nn1	1252566531	BXGWDXPCNNYWNM-UHFFFAOYSA-N	406.486	4.722	50	20	HJGD	
CCOc1ccc([C@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)c2ccccc2)cc1	1318639521	FLUWUGOYXWGMTM-JOCHJYFZSA-N	419.529	4.589	50	20	HJGD	
CCn1nc(C(C)C)cc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	1327888174	QXSGWEPWQWYMOQ-UHFFFAOYSA-N	408.346	4.821	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3nccc4[nH]ccc34)CCC2)cc1	1786011981	TULOWFKMUMJLJI-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C)n3)CCC2)cc1	1786442686	MUZXRTREESMLGO-QGZVFWFLSA-N	417.912	4.684	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Br)CCC3)cc2)cc1	1790318419	LTRPCMWHCGUQHD-HNNXBMFYSA-N	415.331	4.526	50	20	HJGD	
C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)Oc1ccccc1	1791143648	MVYRBOXSEVKMJB-FOIQADDNSA-N	418.896	4.513	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)[C@H](C)CC)C2	1793680362	VQIJWHJIHJDGIL-NFOFIHSESA-N	419.009	4.862	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1	1814697699	WBNOIBAIFUCZEI-MRXNPFEDSA-N	423.344	4.634	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c(C)c1	1829946335	BBRSJAHREWQHKN-NRFANRHFSA-N	419.009	4.802	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)c(C)cc2C)c1C	5365083	VEPZQANAEKYHNY-QKXOWGBTSA-N	422.525	4.571	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(C)cc2)c1Cl	7750828	ARVAKQWDLFBIMO-LDADJPATSA-N	420.900	4.756	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc3c(s2)-c2ccccc2OC3)c1	10742614	YRTBJAJWVDBSEA-UHFFFAOYSA-N	409.536	4.556	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1csc(COc2ccc(C)cc2)n1	63276177	MACVEXYRGBLLLL-ATVHPVEESA-N	419.506	4.975	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)ccc1OC	212176069	GSYPJINVXCAZAZ-SXGWCWSVSA-N	406.404	4.864	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccsc3)no2)c(C)n1CC(C)C	219904246	PYTTWWNEIVZRLV-LSCVHKIXSA-N	410.499	4.523	50	20	HJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Br)c(OC)c(Br)c1	726429911	WMENXLANJJXVDJ-JTTRITNRSA-N	401.098	4.742	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3ccc(C)nc23)c1C	727330283	CCNJWFVSFDAECW-CTPANLQCSA-N	402.498	4.715	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3ccc(C)nc23)c1C	727330289	CCNJWFVSFDAECW-RHLNUJDMSA-N	402.498	4.715	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)c1ccc(Oc2ccccc2)cc1	727844366	NBPZGNKNAITUAP-LJQANCHMSA-N	417.509	4.893	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@H](c1ccc(Cl)cc1)C1CCC1	729224733	ROBBJDHHOURBRQ-NRFANRHFSA-N	407.901	4.979	50	20	HJGD	
CCc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)cnn1-c1ccc(F)cc1	729515194	FCZJYGOIMFMTOF-UHFFFAOYSA-N	409.852	4.532	50	20	HJGD	
Cn1c(/C(C#N)=C/c2cccc(OCc3ccccc3C(=O)O)c2)nc2ccccc21	731563003	KHPDEVOWTRSECN-CPNJWEJPSA-N	409.445	4.915	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3c(C)noc3C)c2C)c1	733764771	ZPVJOIOHPFQXOP-YQODDJSKSA-N	402.498	4.792	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NNc1ccc(Br)cc1Cl	733807891	GYOCCTGXEBYPSR-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
CCCOc1c(Cl)cc(C=NNC(=O)c2cccc3cccnc23)cc1OCC	747356152	OOMSVOZATYAUDP-UHFFFAOYSA-N	411.889	4.840	50	20	HJGD	
CCc1cc(NNC(=O)c2cc(C3CC3)nc3ccc(C)cc23)nc(-c2ccccn2)n1	751389257	YFGNHFPYFOXNRO-UHFFFAOYSA-N	424.508	4.592	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)Nc1ccccc1SCC(F)(F)F	755595939	WZUKWWVOFUMVDS-UHFFFAOYSA-N	409.389	4.554	50	20	HJGD	
Cc1cc(Cl)cc(C)c1C=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	756875482	AQBDBBUNFVDNQG-UHFFFAOYSA-N	406.100	4.658	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccnc1Sc1ccccc1	761590456	NGNOYVAFZMDISL-UHFFFAOYSA-N	405.401	4.888	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c(Sc2ccccc2)n1	768230856	RRLAQLWZVBXMOY-UHFFFAOYSA-N	413.506	4.755	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(Br)c(C(F)(F)F)c1	769156892	UQKCXNOPXOBBSD-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1C(F)(F)F)C(=O)Nc1nc2ccccc2nc1Cl	771841577	OYONQLVANCIYMP-YRNVUSSQSA-N	420.753	4.987	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H](n2ccnc2)C1	777929233	IQQAUAAKEPXQJX-GFCCVEGCSA-N	417.425	4.566	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1	782451971	XJVRNNNMXSPRSH-PWDRBQJJSA-N	421.428	4.794	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(Br)c(OC)s1)c1ccccc1	787141523	OJBNUROUHDKPLT-WQMJKPAKSA-N	405.317	4.694	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2ccccc12	790611347	NWCPBMMIOQZKPU-LLVKDONJSA-N	406.269	4.753	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nc(Br)ccc1F	791492815	GXNHTMWPYLHZAQ-UHFFFAOYSA-N	408.296	4.933	50	20	HJGD	
CCN(CC1CCC1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	794284711	QTXUYUBWDFPAAF-CPNJWEJPSA-N	421.932	4.673	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cc(Cl)c(Cl)[nH]1	804208499	NXFOZIBNGSQPNW-UHFFFAOYSA-N	416.190	4.554	50	20	HJGD	
O=C(NNc1ncccc1F)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	806786705	SUQUSXKERRLDEI-UHFFFAOYSA-N	412.277	4.723	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(C(F)(F)F)cc1	807006163	SGLAQGPUMAOCNF-GOSISDBHSA-N	418.419	4.570	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cnn(C)c2)c(C)n1-c1cccc2ccccc12	818914234	STIMTOUGMRQMPW-YDZHTSKRSA-N	423.520	4.546	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Sc3nccn3C)cc2)c1C	824583793	QXJQHAWEXYNKDC-RGEXLXHISA-N	419.554	4.945	50	20	HJGD	
C[C@H](NC(=O)NNc1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1	916380791	QTAOZCMNNBBEGT-HNNXBMFYSA-N	408.889	4.980	50	20	HJGD	
Cc1ccc(Cl)c(OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1	916856428	KNRDAEVYOXEWOM-AQTBWJFISA-N	416.868	4.938	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cn3cc(Cl)ccc3n2)c(C)n1CC(F)(F)F	920754761	HRUOSNMUBMEZDV-AWNIVKPZSA-N	406.795	4.758	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccn(-c2ccccc2C(F)(F)F)n1	1337765471	GJTPRGSQUFSGEP-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
CC(C)(C)c1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)c[nH]1	1788579815	IKNJPRDHUXYNJP-QGZVFWFLSA-N	405.901	4.594	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1	1790468979	XKAXHPGVKRQMNP-YWZLYKJASA-N	409.357	4.713	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2	1800077306	GEBSYMHJKWGRBJ-CIAFKFPVSA-N	410.945	4.623	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(C)cc2)CC1	1831530769	XUEANBBMVJPXPZ-COPCDDAFSA-N	419.009	4.736	50	20	HJGD	
Cc1cc[nH]c1C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1842229373	PIPNMBGOGPOFLI-UHFFFAOYSA-N	422.013	4.890	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	8206256	PQMFKKHSECVVMA-RVDMUPIBSA-N	406.413	4.997	50	20	HJGD	
O=C(CCCSc1ccc(Cl)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	17157752	DSQAVNNSHLXNKK-UHFFFAOYSA-N	406.979	4.576	50	20	HJGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNc1cccc(Br)c1	195551010	BXMLCOSSAKQOMV-UHFFFAOYSA-N	402.317	4.562	50	20	HJGD	
COc1ccc(NC(=S)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1F	726449645	QQTLQYYQGQNKDQ-UHFFFAOYSA-N	415.515	4.503	50	20	HJGD	
C[C@@H](C#N)Oc1ccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1	727683108	CWEFWZPOGXTUHO-INIZCTEOSA-N	410.433	4.550	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)c3cccc4ncccc34)c2Cl)cc1	730146386	UBDLXAVAONSQJE-UHFFFAOYSA-N	417.900	4.514	50	20	HJGD	
COC1CCC(N(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)CC1	734351589	ILXWEXLXKKKSTG-RCCKNPSSSA-N	405.542	4.726	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)o1	734484541	YNAMWNXKVSNJPJ-NTCAYCPXSA-N	412.428	4.969	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cn(-c2ccccc2)nc1-c1ccccc1	734551929	BJCNKAGEUABQLT-UHFFFAOYSA-N	408.383	4.714	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)c1C	737599797	OVBZZTCRIDAXDC-RKNNQSSOSA-N	419.569	4.747	50	20	HJGD	
Cc1nccn1CCCCNC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	741708734	JTYMFPUQUBPSBP-CJLVFECKSA-N	407.562	4.619	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1Cl)c1cc(-c2ccccc2)on1	743433986	IJSIIEFPEDHTNN-UHFFFAOYSA-N	404.651	4.521	50	20	HJGD	
C[C@H](CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)Sc1ccccc1	743691709	RXILZNFLRHQRFF-QGZVFWFLSA-N	420.538	4.870	50	20	HJGD	
CC(=O)c1cccc(NC(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1	743812166	PBUDOGYSBAKGOY-UHFFFAOYSA-N	415.664	4.708	50	20	HJGD	
N#Cc1ccc(CN(CCP(=O)(c2ccccc2)c2ccccc2)C2CC2)cc1	746115696	XUOIHICNPFENTP-UHFFFAOYSA-N	400.462	4.537	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc1OCCCC#N	747361830	YGRASDXXRCUJQR-LFIBNONCSA-N	424.526	4.677	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1	748379484	CIRUXZSZQVNDIK-UHFFFAOYSA-N	411.552	4.853	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(F)(F)F	750896796	TVYNYOODJIZINO-JYRVWZFOSA-N	410.779	4.835	50	20	HJGD	
O=C(Cc1cc2c(ccc3ccccc32)o1)NNC(=O)c1c(Cl)cccc1Cl	753137528	DJKZQGGGOZWAJW-UHFFFAOYSA-N	413.260	4.897	50	20	HJGD	
Cc1cnccc1CCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	754899492	UDFPFOSVBAPJRR-OAHLLOKOSA-N	403.857	4.974	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2C)c1C	760668013	CVAFPOBJRWZFBI-BOPFTXTBSA-N	405.420	4.624	50	20	HJGD	
NC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762975841	NBEOYCQIIWGUMV-CQSZACIVSA-N	409.380	4.562	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	765205687	AOWBICBYTLWXMG-UHFFFAOYSA-N	421.885	4.609	50	20	HJGD	
COc1cc(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccncc2)ccc1[N+](=O)[O-]	766779148	NWFNYJCMJPACRH-CPNJWEJPSA-N	423.432	4.915	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	771291949	NQZRMGKQBBGZSM-UWVGGRQHSA-N	401.326	4.670	50	20	HJGD	
Cn1cc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c(-c2ccccc2)n1	771555979	RZVOFKNHEIRELB-UHFFFAOYSA-N	421.460	4.659	50	20	HJGD	
O=S(=O)(Nc1c(F)cccc1Br)c1ccc(CCCCl)cc1	772857920	JLNOTRKHWKCTEX-UHFFFAOYSA-N	406.704	4.560	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2OC(F)(F)F)o1	780153214	MAHCXSFORATGIB-UHFFFAOYSA-N	407.304	4.510	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cn(-c4ccc(F)c(Cl)c4)nn3)c[nH]c2c1	782889289	GHHLWWURBXZVEK-QPEQYQDCSA-N	405.820	4.639	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@@H]1C[C@H]1c1ccc(Cl)s1	783782855	KMMFAAGPYYIEQN-HTQZYQBOSA-N	407.667	4.689	50	20	HJGD	
COc1cc(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)ccc1OCc1ccccc1	785058461	OFKHLGOHOCWUFE-BKUYFWCQSA-N	416.452	4.637	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]	787147741	MMLADJXPNMIRRI-DELQEKLWSA-N	420.252	4.695	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(OC)c(OCC(C)C)c2)cc1	787151823	RTDSCGRTFHPNIP-XNHPLOEXSA-N	408.498	4.523	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2ccc(F)cc2)nc2ccccc12	788149389	QZGIHHINJFHVLZ-UHFFFAOYSA-N	420.375	4.845	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Cl)c(OC)c2)cnn1-c1ccc(Cl)cc1	790186780	IZKZXBUMCNJBGS-UHFFFAOYSA-N	405.285	4.507	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc2c1CN(CC(F)(F)F)C2	800563729	MTGUNIBBRICFLC-UHFFFAOYSA-N	402.779	4.506	50	20	HJGD	
CC(C)(C)C(C)(C)NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	815782721	WTBYAEWHXZHRBR-CQSZACIVSA-N	410.889	4.785	50	20	HJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1ccc(C#N)cc1C(F)(F)F	816570486	VSJMIHSFUIFLDG-UHFFFAOYSA-N	412.209	4.713	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)cc1	817921327	RNWUZSBUQJWHPF-UHFFFAOYSA-N	406.511	4.610	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3oc(O)nc3c2)c1C	913055663	VXHWXBWKSYUMQF-WOJGMQOQSA-N	412.449	4.795	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3ccccc3c2)c(C)n1C[C@H]1CCCO1	914482456	FASQINOOBCUPCZ-TZPPZLRXSA-N	413.521	4.661	50	20	HJGD	
CC(C)(C)NC(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	915879678	VDUVCBCQCXEXMH-UHFFFAOYSA-N	417.509	4.675	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1	917738216	WDWKGNLRMMOIOS-QFIPXVFZSA-N	410.926	4.924	50	20	HJGD	
O=C(CN1CCCCCCC1=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918562855	KQDUYKUSWYORHR-MRXNPFEDSA-N	408.873	4.637	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c1C	919936363	LAGFFDBPMAWUOY-YRXLECQKSA-N	422.548	4.594	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=Cc3csc(C(C)(C)C)n3)s2)cc1	920370999	QMAMVDNKJACLBM-UHFFFAOYSA-N	414.556	4.524	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(COc3ccc(C#N)cc3)o2)c(C)n1CC(C)C	1331862640	YRLXEVWFEFPPCM-JMIUGGIZSA-N	401.470	4.659	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(Oc2ccc(Cl)cn2)cc1	1339377430	KESZWULLZRGBFT-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
O=C(Cc1ccc(Cl)s1)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1786733282	WPFMCENIEVZUET-MRXNPFEDSA-N	415.317	4.613	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)ccc3C)cc2)CCC1	1790703612	JBSMHXPYUXQEPB-FQEVSTJZSA-N	414.933	4.769	50	20	HJGD	
CC(C)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C2	1792881465	XWBDOPBIDXFXCV-QDMKHBRRSA-N	411.011	4.562	50	20	HJGD	
Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)oc2ccccc12	1827613860	VITNFWFGEOURJN-FXAWDEMLSA-N	420.912	4.509	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(C)cc2)c1C	16437769	JJZWOPSDSKINFP-KGENOOAVSA-N	414.509	4.801	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(C)c1OCc1ccccn1	207254851	BLVQWDMERXGGRY-YESUGOQTSA-N	403.526	4.879	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	725900409	SMZLLCZWJLOJAL-UHFFFAOYSA-N	412.877	4.992	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12	728608171	UPKGJKIJCDSSRK-UHFFFAOYSA-N	413.468	4.629	50	20	HJGD	
N#C/C(=C\c1ccc(OC[C@H]2CCCO2)cc1)C(=O)c1ccc(Br)s1	730436805	MHKAMENIMXBEFR-HFQYIWAZSA-N	418.312	4.858	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCCCNc2ccccn2)c(C)n1C1CCCCC1	731632895	UGKXUIQIBJXHEF-OQKWZONESA-N	419.573	4.921	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl)c1ccccc1	731931439	HQDPVHYBGGICMM-FQEVSTJZSA-N	408.933	4.846	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)c(OC(F)F)c1	734095147	LIAPHWCTOXEHIM-POHAHGRESA-N	414.227	4.910	50	20	HJGD	
COc1ccc(NNC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)cc1	746882788	NNKBDFWCXFVRQK-FQEVSTJZSA-N	400.450	4.950	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1C(F)(F)F	746894303	UNBKXZHQCQXNTF-UHFFFAOYSA-N	424.382	4.586	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccc(C(=O)Nc2cccnc2)cc1	748331908	UODZUCWVRRELIH-IBGZPJMESA-N	415.584	4.664	50	20	HJGD	
O=C(CCc1ccccc1)NNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1	749804314	SWFZNXFQFIFWGV-UHFFFAOYSA-N	412.411	4.766	50	20	HJGD	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1cc2ccccc2o1	750284404	JGKZKFABKGSDBR-UHFFFAOYSA-N	406.269	4.616	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)CC#N)c(C)n1-c1cc(Cl)ccc1Cl	751393330	SJTOBCJDTHCIHZ-DZZSIBQASA-N	401.297	4.726	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	751579242	OGERRIKXSFPDDZ-HDAKKWKLSA-N	405.473	4.694	50	20	HJGD	
O=C(NNc1ncccn1)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1	754967390	YZBCJLGUDYKTKV-UHFFFAOYSA-N	408.380	4.543	50	20	HJGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	757526085	KXDMIFWVLJNRPQ-CDDSVFCYSA-N	420.332	4.502	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(\C#N)C(=O)c2ccc(Br)s2)c1Cl	758931745	OPECOTCQDPUWLJ-GQCTYLIASA-N	424.629	4.706	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)c1	759321308	FXAZYVWWNRPAPZ-UHFFFAOYSA-N	402.429	4.510	50	20	HJGD	
COc1cc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1OC	769922909	HPAOTUJEIGXNEG-UHFFFAOYSA-N	420.680	4.821	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)c(F)c1)c1ccc(Br)cc1	771678556	HWNUNPBEGKSIMG-VIFPVBQESA-N	416.088	4.598	50	20	HJGD	
Cc1ccsc1CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772991027	QSDVKLWWZVDKBC-UHFFFAOYSA-N	400.394	4.969	50	20	HJGD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NNc1ccc(C(F)(F)F)cn1	775616858	FMZPNTLHOZOPEY-UHFFFAOYSA-N	409.412	4.542	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1ccc2ccccc2n1)c1ccccc1Cl	777464121	DOAXOBIOQIBTSL-UHFFFAOYSA-N	422.897	4.959	50	20	HJGD	
COc1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1O	782916149	ZIUREUBRNLDGSX-UHFFFAOYSA-N	405.366	4.859	50	20	HJGD	
C[C@@H](CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCC[C@H]1C	782985162	YRGGWPUDQJCIQD-OLZOCXBDSA-N	422.485	4.885	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1Cl	790189788	UIXSMECTZLRYII-UHFFFAOYSA-N	412.873	4.693	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1cccc2c1OCC[C@@H]2OC	790577614	SBCNAHRMWYSXPU-KRWDZBQOSA-N	420.307	4.630	50	20	HJGD	
N#C/C(=C/c1c(Cl)nc2cc(Cl)ccn12)S(=O)(=O)c1ccc(Cl)cc1	794694212	AEJKXMVUQRTSRR-JYRVWZFOSA-N	412.685	4.633	50	20	HJGD	
O=C(NC[C@@H]1CCC(F)(F)C1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	797538862	PHTHRNKLXMYYQD-SECBINFHSA-N	408.339	4.834	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)cc1OCCC	798141919	DJLAGCZNFCGPNO-UHFFFAOYSA-N	406.914	4.588	50	20	HJGD	
CSC1(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)CC1	800805382	WYDLICSTCBYPJS-UHFFFAOYSA-N	415.518	4.611	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1cc(Cl)ccc1C(C)(C)C	802573599	JODHQZSKEHPOMT-UHFFFAOYSA-N	410.905	4.576	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(C(F)(F)F)cc1N1CCCC1	802831953	FSECNFOBHMTBLM-UHFFFAOYSA-N	401.791	4.855	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cccc(F)c1Cl	804206356	GIWWLGYSLKDNOE-UHFFFAOYSA-N	410.758	4.712	50	20	HJGD	
CC(Cn1cccn1)=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	814705573	GKYGXHDPBNSKST-UHFFFAOYSA-N	424.504	4.935	50	20	HJGD	
CC(C)(C)C(C)(C)NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	815782720	WTBYAEWHXZHRBR-AWEZNQCLSA-N	410.889	4.785	50	20	HJGD	
O=C(NNc1ncncc1F)c1cccc(CSc2c(Cl)cccc2Cl)c1	817078863	YCEHWBCSLQMXCS-UHFFFAOYSA-N	423.300	4.972	50	20	HJGD	
CCOc1ccc(NNC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)cc1	817886010	SGLSYGRQKHBWKW-ZDUSSCGKSA-N	401.919	4.911	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2csc(COc3ccc(F)cc3)n2)c1	825249134	UEZKVPQVWJOKEN-CXUHLZMHSA-N	424.453	4.520	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1OC(F)F	864235832	OABALJIQVLLMMS-GHXNOFRVSA-N	407.760	4.704	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3cnn(C(C)C)c3nc2Cl)cc1	873874500	POEJSCMNSRKYAZ-DHDCSXOGSA-N	409.877	4.610	50	20	HJGD	
COc1cc(OC)c(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1Cl	891657300	UJHUSCWAKRNSED-IUXPMGMMSA-N	415.921	4.977	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2C)C2CC2)c1C	914487157	GHKAFBICUCQFBL-AYBNGVQBSA-N	405.542	4.719	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnn(-c3ccc(Br)cc3)c2)c(C)c1	917145200	OASQVPMOBYKLEA-LICLKQGHSA-N	421.298	4.797	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1SCc1ccco1	917217893	VYJWUPVFZMCSJG-UHFFFAOYSA-N	403.847	4.890	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1C	918182941	FTFJYJFNLHWPSI-VCHYOVAHSA-N	424.526	4.630	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)c(Br)cc1O	921265275	CZVBVLXXLQJZMA-IZZDOVSWSA-N	420.213	4.972	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cc2ccccc2o1	1789004657	LANIHWQOPAOYJR-GOSISDBHSA-N	400.837	4.715	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1	1790487326	NNQOHNQYMBHYDC-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C)CC1	1832725658	PTVHOACETIHINV-SFTDATJTSA-N	422.972	4.775	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNC(=O)c1ccc(Cl)cc1Cl	26625652	CULAIUGKUFKDDI-UHFFFAOYSA-N	422.337	4.777	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1nccs1	213363397	ZOUVTISZHWWCJM-KAMYIIQDSA-N	403.492	4.603	50	20	HJGD	
CCN(Cc1ccncc1)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	727376699	RJOOEGVXOBISDL-STZFKDTASA-N	402.473	4.584	50	20	HJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	727791536	LLKWVXRYQHNYTO-UHFFFAOYSA-N	401.677	4.509	50	20	HJGD	
CCn1cc(C=NNC(=O)c2ccc(Br)cc2Cl)c2ccccc21	728782338	LQNIEZDAEWBGHK-UHFFFAOYSA-N	404.695	4.841	50	20	HJGD	
Cc1nn(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1C	730201657	PWXNRXQJLZZFNP-VCHYOVAHSA-N	407.905	4.644	50	20	HJGD	
O=C(NN=Cc1sc(Oc2ccccc2)nc1Cl)c1ccc(O)c(Cl)c1	734095018	XUZIKRXVWNWOQP-UHFFFAOYSA-N	408.266	4.712	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1ccc(-c2ccc(Br)cc2)s1	734245677	DFZQUOLWCHBTBW-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
Cc1cc(NNC(=O)c2sc(-c3ccccc3)nc2C)ccc1Br	734254592	AVXNLXLHLMRDFW-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccccn3)c(C)c2)cc1	734305018	FHIKDBZMVAJJBP-OEAKJJBVSA-N	411.505	4.809	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cnc(-c3ccc(C)cc3)s2)cc1	734305497	APIRNTCOVQQNFB-GZTJUZNOSA-N	402.479	4.623	50	20	HJGD	
Cc1cc(NNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)nc(C)n1	736719165	WMBJOBBWNBPHMY-UHFFFAOYSA-N	400.813	4.737	50	20	HJGD	
CCc1cc(NNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)nc(-c2ccccn2)n1	738531053	SOUWKSDMUUQDIJ-RTWAWAEBSA-N	409.493	4.501	50	20	HJGD	
N#C/C(=C\c1ccc(Br)cc1Cl)C(=O)N(CC(F)(F)F)C1CC1	742435387	WUAQDFPBASOAHH-BJMVGYQFSA-N	407.617	4.563	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](C)c2csc3ccccc23)c(Cl)c1	743597866	JSOGWDKDSASAGI-GFCCVEGCSA-N	402.907	4.960	50	20	HJGD	
COC(=O)COc1c(C)cc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc1C	746341695	GTKGGANNEZQZEP-YBEGLDIGSA-N	411.408	4.664	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1	746894503	MGOAIXFASBZLEN-UHFFFAOYSA-N	423.394	4.873	50	20	HJGD	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NNc1ccccc1F	748057316	QMUOKWAGJYJFIJ-UHFFFAOYSA-N	405.429	4.920	50	20	HJGD	
Cc1nn(-c2ccc(C(=O)NNc3ccc(OC(F)F)cc3)cc2)c(C)c1Cl	748643176	GZTWZHJKRPBTIF-UHFFFAOYSA-N	406.820	4.501	50	20	HJGD	
Cc1nc([C@@H]2COCCN2C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)no1	752978001	JAQOMOGODKYNCK-LBPRGKRZSA-N	414.356	4.641	50	20	HJGD	
Cc1ccc(Cn2cccc(NC(=O)CCCC[C@@H]3CCSS3)c2=O)cc1	754175030	WIZRIBYRNASIQF-GOSISDBHSA-N	402.585	4.858	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C	754701093	KLKYKQROMSLSFF-VCOLLSTESA-N	423.532	4.940	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1	761336092	UVJXROYOLUKDSG-CQSZACIVSA-N	423.856	4.726	50	20	HJGD	
CC(=O)NCC1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762977962	HDNGZXWDIJLSKC-UHFFFAOYSA-N	401.401	4.724	50	20	HJGD	
C[C@@H](OC(=O)[C@H](Br)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1Cl	766748856	BCKZGRUWQZUKFU-PELKAZGASA-N	411.123	4.673	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1	767034926	ZSZCIUFPLHXNOV-SFHVURJKSA-N	421.310	4.755	50	20	HJGD	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NNc3c(F)cccc3Cl)c12	770192107	DPDUVBJHJPSHHW-UHFFFAOYSA-N	414.799	4.887	50	20	HJGD	
Cc1ccc(C(=O)OC[C@@H](C)CBr)cc1NC(=O)c1ccccc1F	770339253	HIDSAHJNUNZQLT-LBPRGKRZSA-N	408.267	4.574	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCCO2)C(=O)c1cc(F)cc(F)c1	772177372	VCZWZBMJIFBLLA-YIXHJXPBSA-N	420.209	4.678	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(F)cc2Cl)nn1)C(=O)c1ccc(Cl)cc1F	773161100	AAXXCSCQRONGGA-BJMVGYQFSA-N	405.191	4.642	50	20	HJGD	
COC[C@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccco1	777984313	SIXJHGAEVOHUHI-LBPRGKRZSA-N	407.382	4.603	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](CO)c2ccc(F)cc2)c(C)n1C1CCCCC1	778513156	YHVSRIFKINHNHC-PGGUJSHWSA-N	409.505	4.506	50	20	HJGD	
CCCNC(=O)c1ccc(NC(=O)NNc2ccc(C(C)(C)C)cc2)cc1Cl	780515732	AJBIZCBLBKWSGW-UHFFFAOYSA-N	402.926	4.926	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1	780795451	LGBOQQZAYPLDRJ-UHFFFAOYSA-N	409.492	4.568	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	784382800	NVPSCRRNUKYASZ-UHFFFAOYSA-N	418.881	4.577	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cccc(F)c1Cl	801502624	QOCWMTVMLDUIQX-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc2nc(C(F)F)sc2c1	806698767	SHQAOCUYLALJNI-UHFFFAOYSA-N	420.485	4.603	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)CNC(=O)c1sc2ccccc2c1Cl	812769434	HBMZOPGXIYHCEF-UHFFFAOYSA-N	415.946	4.860	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1	817908240	AWLBXAYSPHHQGA-UHFFFAOYSA-N	415.497	4.835	50	20	HJGD	
Cc1cc(N2CCOCC2)ccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	915350042	VFNZMJIODBATBE-UHFFFAOYSA-N	416.525	4.575	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2ccc(F)cc2)s1	916145489	UZVSDFMEGKJJQQ-OLZOCXBDSA-N	414.424	4.684	50	20	HJGD	
O=C(NCc1coc(-c2cccs2)n1)NN(Cc1ccccc1)c1ccccc1	916230536	GZFOOCAQJQSUJC-UHFFFAOYSA-N	404.495	4.824	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(-c3nc4ccccc4s3)o2)c(C)c1	916358702	YUHDCGXQDIEPTL-UHFFFAOYSA-N	404.495	4.735	50	20	HJGD	
COc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1Cl	916360559	YHDHNBHJNMLKIX-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(-c2ccccc2)cc1OC	917619220	HXOJSXFNPOHKMZ-PXLXIMEGSA-N	412.489	4.637	50	20	HJGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918558816	HZTVJKMFSICGFH-OAHLLOKOSA-N	404.797	4.995	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc3nc(O)[nH]c3c2)c(C)n1CCC(C)C	918601269	YNHZWJSGFLVGDA-YODDIOPGSA-N	419.529	4.517	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2cc3ccccc3s2)c1C	920473742	WQNFXNILMOMKGW-OVEPSTSESA-N	407.539	4.750	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(COCC3CC3)c2)c1C	920844354	BAUZGQHQNRMMAA-KCDOPAPYSA-N	421.541	4.785	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc2ccc(C(F)(F)F)cc2[nH]1	1255094935	AHHAJDOKSJFSLO-UHFFFAOYSA-N	416.172	4.845	50	20	HJGD	
CCCOc1ccc(-c2nnc(/C(C#N)=C/c3ccc(OCC)cc3)o2)cc1OC	1326067744	GDPQDSZWCFBYEY-QGOAFFKASA-N	405.454	4.997	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3c(C)c[nH]c3C)cc2)CCC1	1786205417	AHOSWFQJXQIBFF-HXUWFJFHSA-N	415.965	4.716	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1	1786446729	OSAZWVIDBFVKBX-LJQANCHMSA-N	402.922	4.754	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](OC)c3ccccc3)cc2)CCC1	1787714406	YRPFZTMZFJXOJV-WOJBJXKFSA-N	414.933	4.526	50	20	HJGD	
O=C(/C=C/c1ccccc1)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791602937	RUQWYJYMNDQZJN-KPKJPENVSA-N	403.309	4.638	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)c3ccccc3)CCC2)cc1)C(Cl)Cl	1791603558	NBMGQVHUKHSKGF-MRXNPFEDSA-N	409.288	4.635	50	20	HJGD	
O=C(NN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl	727781839	YFFWJWOWWVVWDZ-UHFFFAOYSA-N	421.284	4.656	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H](CCc1ccccc1)c1ccccc1	727845324	KKUHINNCMDZKOT-XMMPIXPASA-N	415.537	4.714	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(F)ccc2Cl)c(C)n1C[C@H]1CCCO1	728007249	HJPVXKRUIDXSDB-YZIPPPLESA-N	401.869	4.622	50	20	HJGD	
CC(C)(C)C(=O)NN=C1CCCc2nc(-c3ccccc3Br)sc21	730433467	NFFSHTPWCWENRU-UHFFFAOYSA-N	406.349	4.775	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	732926387	OFTJPFPTGZKGNN-WQLSENKSSA-N	412.314	4.861	50	20	HJGD	
COC1CCC(N(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)CC1	734351846	LIZGERVANWBFHQ-RCCKNPSSSA-N	405.542	4.726	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCCNc2ccccn2)c(C)n1C1CCCCC1	736195614	PIIANDOZXYNIKR-PGMHBOJBSA-N	405.546	4.531	50	20	HJGD	
COc1cccc(Nc2ccccc2C(=O)NNc2ccc(Br)cc2)c1	736669195	YSDMSUCVYRBHTE-UHFFFAOYSA-N	412.287	4.958	50	20	HJGD	
N#CCc1ccc(Oc2ccc(C(=O)NNc3ncccc3C(F)(F)F)cc2)cc1	740097174	JWSDAPQOEZOKFV-UHFFFAOYSA-N	412.371	4.716	50	20	HJGD	
Cc1cc(C(=O)NNc2c(F)cc(F)cc2Br)cc(C)c1OC(F)F	741981468	KPXKIVWQKVPFJP-UHFFFAOYSA-N	421.188	4.702	50	20	HJGD	
COc1sc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1Br	746521107	DVRUADMDBOMQKK-NTUHNPAUSA-N	405.317	4.990	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)[C@@H](C)c1ccccc1	746872580	PUTMSNNADJUOSB-XHWUYVRHSA-N	423.520	4.679	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccccc3F)c3cnn(C(C)C)c3n2)c(C)o1	748049098	RRAKIJOYJYABNU-UHFFFAOYSA-N	407.449	4.785	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1ccc(F)cc1F)c1ccc2c(c1)CCC2	748278151	RHACKZZXZQWXMH-UHFFFAOYSA-N	413.449	4.524	50	20	HJGD	
O=C(Cc1csc(-c2cccc(F)c2)n1)NNc1ccc(OC(F)(F)F)cc1	748498178	ROOYHVUMLPMDKW-UHFFFAOYSA-N	411.380	4.534	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1	748667214	JUFBXEKREPKELE-IYBDPMFKSA-N	424.570	4.645	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	756772077	DDLZPYMAFAZIBG-RBSFLKMASA-N	419.451	4.607	50	20	HJGD	
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SC/C=C/C#N)cc1Cl	763300338	KFWFDLGLXLFPFM-OGHTXVADSA-N	415.927	4.967	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(C(F)F)cc2)c(C)n1C[C@H]1CCCO1	764502496	DGECTGBLVDDAER-LYCWOWIHSA-N	414.452	4.872	50	20	HJGD	
COc1ccccc1CSc1ccccc1NC(=O)NNC(=O)OC(C)(C)C	765223692	UQCBDORUVUVZIF-UHFFFAOYSA-N	403.504	4.549	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3nc4ccccc4[nH]3)c3c(C)noc3n2)c(C)s1	768505177	RIHNPZUTYUDNKR-UHFFFAOYSA-N	418.482	4.510	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NNc1ccccc1Cl	769984819	XVBBXYCBCINKPJ-HNNXBMFYSA-N	400.910	4.812	50	20	HJGD	
Cc1cccc(C(=O)OC[C@H](C)CBr)c1NC(=O)c1ccccc1F	770345406	DWMKUFBNWNBOON-GFCCVEGCSA-N	408.267	4.574	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCc2ccc(O)cc2C1	772955473	UDDRWKCQTYAPGP-UHFFFAOYSA-N	422.375	4.573	50	20	HJGD	
CCc1ccc(NC(=O)NNC(=O)Nc2ccc(Br)cc2Cl)cc1	775391944	SPJNDHSQQHRTIR-UHFFFAOYSA-N	411.687	4.523	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1	776639387	YXOMWUJQPXQSPA-GZTJUZNOSA-N	412.424	4.544	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(F)c(F)c2F)nn1-c1ccc(Cl)c(Cl)c1	777418596	RVQXBUZOFCCMLI-UHFFFAOYSA-N	415.202	4.662	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2ccc(C#N)cc2)n1	777870584	UVHPUWCQBMXMRQ-GIDUJCDVSA-N	422.275	4.811	50	20	HJGD	
Cc1cc(F)ccc1COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	784950099	YWSILCODHKBYTG-DEDYPNTBSA-N	414.440	4.562	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	786040444	MUVWRPXYWHJXMN-WQRHYEAKSA-N	405.903	4.617	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(Oc2ccccc2F)nc1	786203361	WKMFKGKBFITZHT-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cc3ccccc3o2)c(C)n1C[C@H]1CCCO1	786239990	GWAINJSUDSWPFQ-OSEBFDPOSA-N	417.509	4.815	50	20	HJGD	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NNc1c(Cl)cc(F)cc1Cl	787197376	QSGXSJLARTYGCV-UHFFFAOYSA-N	415.202	4.662	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3ccc(F)c([N+](=O)[O-])c3)cc2)cs1	788147690	LXHXMABILHIEIE-UHFFFAOYSA-N	418.475	4.548	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cnc(-c3ccc(Cl)cc3)s2)cc1	789131338	XHZFPRBDSVYTCO-GDNBJRDFSA-N	422.897	4.968	50	20	HJGD	
CO[C@]1(C)CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	795293396	QZEXTKMHIWRSBV-CQSZACIVSA-N	409.442	4.924	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1	799380581	DJNQRYACFNOAFF-UHFFFAOYSA-N	418.497	4.967	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1	799757016	QCEOPPOJGJAPSO-MRXNPFEDSA-N	419.485	4.791	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccc4c(=O)[nH]ccc4c3)c(F)c2)cc1C	803437518	RIBNNQSENYVCJV-UHFFFAOYSA-N	401.441	4.708	50	20	HJGD	
CCOC1CC2(CCN(C(=O)/C(C#N)=C\c3cc(C)n(C4CCCCC4)c3C)C2)C1	804629747	ILEJZYKCHUTYOB-BKUYFWCQSA-N	409.574	4.935	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCCC[C@@H]1c1cc[nH]n1	807304720	NETSKMCAUVQMQX-CQSZACIVSA-N	424.395	4.759	50	20	HJGD	
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	813052120	ZPIXRZLZLOKKPL-UHFFFAOYSA-N	413.739	4.531	50	20	HJGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(N2CCCOC2=O)cc1	814356161	UAPISJYAFAICFC-MAUKXSAKSA-N	408.589	4.925	50	20	HJGD	
O=C(CCc1ccccc1O)NN=Cc1sc(Sc2ccccc2)nc1Cl	814840542	RABIKNJWDXXLAC-UHFFFAOYSA-N	417.943	4.736	50	20	HJGD	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)Nc1ccc(F)c(Cl)c1	864235647	GINJTSIFEAQUSQ-BJMVGYQFSA-N	411.723	4.534	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](c2ccccc2)C(C)C)c(C)n1C[C@@H]1CCCO1	915174787	CUCNSKWDTKREJW-NRWUENPDSA-N	419.569	4.747	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1	915847698	JUAFAMUPMHXZDL-UYRXBGFRSA-N	404.470	4.748	50	20	HJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OCC	915848973	FVSXGXYZYFLZFC-AQTBWJFISA-N	408.454	4.508	50	20	HJGD	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNC(=O)c1ccccc1F	916291258	WVTBCCGHTBQNEY-UHFFFAOYSA-N	424.785	4.756	50	20	HJGD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc(CCCl)cc2)n1	917861345	PIEZVWORRGSKDK-UHFFFAOYSA-N	422.959	4.709	50	20	HJGD	
CCOc1ccc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)cc1OCC	920984111	APOACLYLEZRLJI-UHFFFAOYSA-N	409.511	4.680	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(Oc2ccc(Cl)cn2)cc1	1252769571	RHGVNQTWWJAOFB-UHFFFAOYSA-N	417.856	4.741	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3ccc4c(c3)OCCO4)o2)c(C)n1CC(C)C	1325751244	KYBSHIXCQMPAJR-VXLYETTFSA-N	404.470	4.646	50	20	HJGD	
Cc1csc(CCC(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)c1	1786863760	WCLRRRMOHBVYDI-SFHVURJKSA-N	408.926	4.658	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3Cl)CC2)C1	1806163617	VFIRFGRCOHTTKR-SFHVURJKSA-N	411.373	4.592	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)CCc3cccc(C)c3)C2)CC1	1806526316	MCMIMBXDPJKAHX-NRFANRHFSA-N	419.009	4.566	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)[nH]n1	1815317879	LBUCYIXWVODOIY-JXGFJBPRSA-N	414.937	4.523	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](CC)CC2)n[nH]1	1822224112	IOCYFGTUBPXFMU-NBOOPKSLSA-N	408.974	4.636	50	20	HJGD	
Cc1cc(C)cc(-c2nnc(S[C@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)o2)c1	8174195	VPVLYTJGVFKRDD-CQSZACIVSA-N	417.494	4.676	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2Cl)c(C)n1CC(C)C	22581223	ROBMRMBTBXFBHN-VCHYOVAHSA-N	413.905	4.503	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)N(C)C)c2)c(C)n1C1CCCCC1	26809489	ZSTFVJYCYMRDBN-KGENOOAVSA-N	418.541	4.858	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cccc(OCc2cccnc2)c1	729515387	YHPGTNQNYDHZRY-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
Cc1nc(CC(C)C)sc1C(=O)NNc1ccc(Br)cc1Cl	733807998	PZGQSVJVQBSNSO-UHFFFAOYSA-N	402.745	4.823	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc3ccccc3s2)c1C	734111978	OMKPUICDMRKGOR-BDLQZBCKSA-N	422.554	4.706	50	20	HJGD	
Cc1cc(NNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)nc(C)n1	736718126	DJJDKFCXHIXPRY-UHFFFAOYSA-N	422.872	4.829	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(OCC3CC3)CC2)c(C)n1-c1ccccc1F	743788626	RWKOMEUACOETFK-STZFKDTASA-N	421.516	4.558	50	20	HJGD	
O=C(NNC(=O)c1cc2c(Cl)cccc2s1)Nc1ccc(OC(F)F)cc1	743832153	GWMUXHAXRBEWPZ-UHFFFAOYSA-N	411.817	4.623	50	20	HJGD	
Cc1ccc(-c2nnc(-c3ccc(C(=O)NNc4ccc(F)cc4F)cc3)o2)cc1	746023628	WHFUTRSRDGRKNI-UHFFFAOYSA-N	406.392	4.747	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NNc1ccc(C(F)(F)F)cc1	747605356	WTFQLMUYWBHXOK-UHFFFAOYSA-N	411.330	4.715	50	20	HJGD	
C=CC(=O)Nc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)ccc1F	758276549	JRVIXQOQURCMFA-ZDLGFXPLSA-N	408.477	4.570	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)NNC(=O)c1cc2ccccc2cc1O	758284707	YRHLEEHUUOMICI-UHFFFAOYSA-N	421.497	4.717	50	20	HJGD	
O=P(CCN1CCC2(CC1)OCc1ccccc12)(c1ccccc1)c1ccccc1	759782787	BVNDJTMPDZLQQT-UHFFFAOYSA-N	417.489	4.522	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1Br	765614435	VZSHJVXZEWEWFB-YRNVUSSQSA-N	413.206	4.951	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCCc2cccnc21	766761139	KHPPIWTTYJNESY-LLVKDONJSA-N	415.118	4.714	50	20	HJGD	
COC(=O)COc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1Cl	771292267	NGWCHNCJBQRFTL-CYBMUJFWSA-N	403.953	4.544	50	20	HJGD	
N#CSCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1	773588626	PRLDKCYBWUOGGY-UHFFFAOYSA-N	410.930	4.586	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1F	773768872	LXXJNUKABMFQEL-UHFFFAOYSA-N	417.362	4.593	50	20	HJGD	
CCC(C)(C)NC(=O)c1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1	775531410	BUAQANDLCPLFKV-UHFFFAOYSA-N	408.424	4.772	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccccc1NC(=O)c1cccs1	777479336	HOTQFQVCDABDIX-UHFFFAOYSA-N	402.479	4.614	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)c(C)n1-c1cccc(Cl)c1	779225389	BNZSJWYPYFFEMI-UHFFFAOYSA-N	414.840	4.980	50	20	HJGD	
COC(=O)c1sccc1S(=O)(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	781660866	QQCSYTAKCGHJOI-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@H](N2CCCCC2)C1	782981489	AIVUUVNEDRNISP-ZDUSSCGKSA-N	420.469	4.593	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(\C#N)c3nc(-c4ccccc4)no3)cnc12	783701887	OGBSCLLPWNYHCI-RIYZIHGNSA-N	406.243	4.519	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)ccc1Cl	788600208	UHBPNOFDZCYOEO-UHFFFAOYSA-N	406.870	4.844	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)NCC)c2C)c1C	790130884	ZETVAMMQSXWDIS-ZHZULCJRSA-N	421.545	4.901	50	20	HJGD	
CC[C@@H](C)n1ncc(C(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1	802089268	CNOISRAITJMHCQ-SNVBAGLBSA-N	410.305	4.505	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc1	802137981	YFPQICDANAUOCO-CPNJWEJPSA-N	416.481	4.728	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1OC	809146720	TTYNMNDDSSXESL-LZYBPNLTSA-N	400.272	4.873	50	20	HJGD	
CCC(=NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)C12CC3CC(CC(C3)C1)C2	811633588	UJSXTSDWYZOLNW-UHFFFAOYSA-N	420.557	4.690	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1C(F)(F)F	817013705	YZZQGMMKQDKEDP-UHFFFAOYSA-N	417.231	4.895	50	20	HJGD	
CCc1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	855283002	RFIJMRBMCJFSFA-CVHFWEDTSA-N	421.541	4.801	50	20	HJGD	
CC(=O)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	875391480	RVSVIYVYPRVJRA-UHFFFAOYSA-N	424.460	4.571	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2csc(Cc3ccccc3)n2)cc1	915376608	GHDRLSVSMNLBDD-UNOMPAQXSA-N	404.491	4.783	50	20	HJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1	915985228	RGYZZZLDDMQMME-SILNSSARSA-N	413.477	4.637	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C)O[C@H](C)C2	916568899	KWVWZJAHIRDQHE-QDLULRBISA-N	418.415	4.789	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(F)cc2Br)c2ccccc12	917549915	LKZALKAYZHNVSA-UHFFFAOYSA-N	401.235	4.514	50	20	HJGD	
CC(C)CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918238946	FIXSMIMEDFGWAS-BZNIZROVSA-N	410.889	4.785	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1	918654134	RYPVUZHDFKZWOI-SAGAUJLNSA-N	417.509	4.646	50	20	HJGD	
O=C(NNC(=O)C1CC1)c1oc2ccccc2c1CSc1ccccc1Cl	921165631	RFDOHROCDSOFFM-UHFFFAOYSA-N	400.887	4.550	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1nc(-c2ccccc2)oc1C(C)C	1329818718	KHFMFYPCAIQSQQ-UHFFFAOYSA-N	422.554	4.967	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)cc1Cl	1788579745	DAGUWVJIUPMXJI-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
CC/C=C(\C)C(=O)NC1(c2ccc(NC(=O)[C@@H](Br)CC)cc2)CCC1	1791365199	LFMNFHMWMSHVJS-VRXKTSEUSA-N	407.352	4.650	50	20	HJGD	
C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](Cl)CCC)[nH]n1	1814824513	WGURODBOBOILKS-SJLPKXTDSA-N	406.958	4.578	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2C2CC2)n[nH]1	1823134905	MPNVJCVSVVQWAE-IEBWSBKVSA-N	414.937	4.610	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2F)CC1	1824614665	HGQPSEGMLKRZOM-CTNGQTDRSA-N	422.972	4.775	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1	1830304919	FZDPSRAACAYEAH-GJZGRUSLSA-N	417.402	4.652	50	20	HJGD	
CCCCCc1cccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](Cl)CCC)c1	1847868482	CTHPDTLYHRCXIH-FKBYEOEOSA-N	419.009	4.571	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	17699235	KBRVBOSKXNQROP-XDHOZWIPSA-N	416.408	4.649	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)cc1	726618737	MSCTYSYFSKAJPT-GOSISDBHSA-N	407.436	4.609	50	20	HJGD	
N#C/C(=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)c1ccc2c(c1)OCO2	726744247	YMRSRXYEVCSPES-CPSFFCFKSA-N	400.217	4.831	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(-c2ccc(F)cc2)cc1F	730036991	HPVOOPBEEUWQRG-UHFFFAOYSA-N	417.868	4.917	50	20	HJGD	
O=C(NCc1ccccc1Sc1ccccc1)NNC(=O)c1cc2c(s1)CCC2	730583254	FCHACSXYYZEQHL-UHFFFAOYSA-N	423.563	4.532	50	20	HJGD	
O=C(NN=Cc1ccc(OC(F)F)c(Cl)c1)c1ccc(Br)s1	731486748	UUTLBRHQRCJDFM-UHFFFAOYSA-N	409.639	4.529	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)cc1	732175934	DGQAAYQRRGJBNI-COYFKBPASA-N	402.416	4.758	50	20	HJGD	
N#C/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccccc1Cl	733083550	LMTCKFSZOZOKMU-JYRVWZFOSA-N	410.842	4.917	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1C	733114296	ONICPDDGOUITBO-STZFKDTASA-N	412.497	4.508	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1C	734257222	KPKWZCXPWDAKSN-LEWJYISDSA-N	409.493	4.555	50	20	HJGD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)Oc1ccc([N+](=O)[O-])cc1Br	739313243	BBCLEYOZVGIPBD-QMMMGPOBSA-N	418.602	4.523	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1	741582480	ZRZZHXMAWIDQIZ-UHFFFAOYSA-N	424.460	4.559	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1c(Cl)cccc1Cl	741922875	KLTGLANLVXUMBR-RYUDHWBXSA-N	418.107	4.865	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1	743058823	LXKARSOWTSWZOK-XATQLNLPSA-N	400.837	4.583	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c1C	743653324	OGEXJQUHJDAJAN-WNPPMXKSSA-N	415.541	4.672	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2nc(C)c(C)s2)c1C	743783665	UBMIUBMPYOSMPS-JAIQZWGSSA-N	404.539	4.699	50	20	HJGD	
O=C(NN=Cc1cnc2ccccc2n1)c1cc(-c2ccc(F)cc2)nc2ccccc12	744685446	MFYPPMAJQFPREO-UHFFFAOYSA-N	421.435	4.748	50	20	HJGD	
CSc1cccc([C@@H](NC(=O)NNc2cccc(C#N)c2)c2cc(F)ccc2F)c1	745903047	BZPLBVNUKOLZMH-OAQYLSRUSA-N	424.476	4.974	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1nc(-c2cccc(F)c2)no1	745917999	UIMNUULVESYOFG-SECBINFHSA-N	410.236	4.570	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)c1cccc2cccnc12	747361921	CRQDWJYUBUFYEN-UHFFFAOYSA-N	424.291	4.800	50	20	HJGD	
CN(C(=O)c1cccs1)c1ccccc1C(=O)NNc1cccc2c1CCCC2	748580548	FUFKZYBXNKKPJE-UHFFFAOYSA-N	405.523	4.660	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2cccc([N+](=O)[O-])c2C)n1	748665864	JTRNWWZUPNGSQA-UHFFFAOYSA-N	414.512	4.717	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cccnc3Cl)c3cnn(C(C)C)c3n2)cc1	754483925	QZUKGAABLCAFMG-UHFFFAOYSA-N	420.904	4.793	50	20	HJGD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	765864632	KIGZOTGSQKADEN-RQZCQDPDSA-N	419.268	4.727	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(OCc2ccncc2)cc1	775605571	DPLLVQPYLDJVHK-UHFFFAOYSA-N	402.376	4.828	50	20	HJGD	
COc1ccc(C2(C(=O)NNc3ccccc3C(F)(F)F)CCCC2)cc1OC	776728382	CTMHEAAYULPCFL-UHFFFAOYSA-N	408.420	4.678	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1Cl	782109068	YQHZMDGIRQQADG-YVMONPNESA-N	422.716	4.657	50	20	HJGD	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)C(C#N)=C1Nc2ccccc2N1	782234468	VWGMDKRHJBWSSS-LLVKDONJSA-N	414.412	4.900	50	20	HJGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1	788786104	GVAZQORHCTYPHP-UHFFFAOYSA-N	408.220	4.863	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(Br)c2)c1C	789934087	ALYWCWMSHWPUPR-IREQLNLFSA-N	417.303	4.587	50	20	HJGD	
CCNC(=O)Nc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1C	790129671	PKCMJCFCSFPSBL-UDWIEESQSA-N	421.545	4.756	50	20	HJGD	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NNc1cc(F)c(F)c(F)c1	790807849	BZDLNFRWQJXMMP-UHFFFAOYSA-N	415.293	4.843	50	20	HJGD	
C=C(CBr)CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC	791444513	BEKZGYZOQGMDSM-CYBMUJFWSA-N	407.274	4.696	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3ccc(Br)cc3C(F)(F)F)ccc2o1	792156013	DXZYHAPRAKAGEU-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	792309157	UTNNFPGVHBOSTN-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccn3)C2)c(C)n1-c1ccc(F)cc1	798709698	VGFNSBWKKWZHCL-BJLUOBIUSA-N	414.484	4.551	50	20	HJGD	
O=C(NCc1ccccc1)c1nnc(/C(Cl)=C\c2cccc(CCl)c2)s1	799891030	IOZRCSZGABNBLZ-MHWRWJLKSA-N	404.322	4.944	50	20	HJGD	
O=C(NNC(=O)c1nc(-c2ccccc2)cs1)Nc1ccc(Cl)cc1Cl	802087511	XRCUWBFKILVZQX-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1sccc1Cl	803386571	RQHZNDVUMUTBJL-UHFFFAOYSA-N	410.518	4.683	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(F)c(C(F)(F)F)cc2F)cc1C(F)(F)F	804468564	SXSWLRAKHGFIBT-UHFFFAOYSA-N	409.236	4.631	50	20	HJGD	
CCCS(=O)(=O)Nc1cccc(NCc2ccc(OCCCCl)cc2)c1C	811470236	UWUBGXVYDWREBE-UHFFFAOYSA-N	410.967	4.767	50	20	HJGD	
CC[C@@H](C#N)Oc1cc(CNC(=O)NNc2c(C)cccc2C(C)C)ccc1OC	813069220	DHPPUFVXSJSPJB-SFHVURJKSA-N	410.518	4.634	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)n2ccccc2=NC2CCCCC2)c1C	832913208	XVSOHYSBNTVHES-VUIXSYTISA-N	420.557	4.595	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)N1CCn2c1nc1ccccc12	915853621	QUUWLTJAFMJWJN-LTGZKZEYSA-N	420.472	4.569	50	20	HJGD	
O=C(CNc1ccccc1)NN=Cc1sc(Nc2ccccc2Cl)nc1Cl	915918783	MNJIAECJHIWWAI-UHFFFAOYSA-N	420.325	4.756	50	20	HJGD	
CCc1cccc(CC)c1Nc1nc(Cl)c(C=NNC(=O)c2cccnc2)s1	916252855	PUMAQPUCLWSUJJ-UHFFFAOYSA-N	413.934	4.824	50	20	HJGD	
N#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3cccc(C(F)(F)F)c3)cc2)cc1	916304679	KZUJMUJFEWFSGG-UHFFFAOYSA-N	423.394	4.773	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl	920213486	RYDARLDZGJMRJO-UHFFFAOYSA-N	411.032	4.752	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3sccc3OC)CCC2)cc1	1786445174	WDKSVZQHEKRCHB-INIZCTEOSA-N	420.962	4.912	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)s1	1789648604	XDIKUJOVJNBLCI-UHFFFAOYSA-N	416.619	4.656	50	20	HJGD	
Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)c1	1789649684	DQYUZUFIGKRCOV-UHFFFAOYSA-N	410.590	4.594	50	20	HJGD	
CCCCCc1ccc(/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](F)Cl)C3)cc1	1792970609	CCXWWMHWTDGAHY-ZLGHJQDHSA-N	420.956	4.605	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(C)cc2s1	1801082298	YYYYFAWYEQPIKK-MHORFTMASA-N	418.990	4.869	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(F)c2)CC1	1824616130	JASBTZXOYMCVBV-CTNGQTDRSA-N	422.972	4.775	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2C)CC1	1829945309	IKBDTMUCLIVWKY-VXKWHMMOSA-N	419.009	4.944	50	20	HJGD	
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	7570338	SLZAVEBEHRWKTL-JXFKEZNVSA-N	418.566	4.589	50	20	HJGD	
Cc1cccc(NNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1	195687525	ZWINRDDGWKHSCV-UHFFFAOYSA-N	400.457	4.673	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCc2nc3c(s2)CCCC3)c1C	727095434	BQQDOVSRLKETBR-RGEXLXHISA-N	410.587	4.506	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cccc(OCc2cccc(Cl)c2)c1	730289399	SKBDVQBSUQUABT-UHFFFAOYSA-N	403.869	4.646	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(CC(F)(F)F)C1CC1	732715617	ZNBMQVLOTLMSHJ-FMIVXFBMSA-N	421.400	4.784	50	20	HJGD	
O=C(NN=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1c(Cl)cccc1Cl	733076423	PKHDCJXFJFGPBE-UHFFFAOYSA-N	421.265	4.789	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	733206275	FLWJGIQTOVYNMT-QPEQYQDCSA-N	408.351	4.756	50	20	HJGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1ccc(Br)cc1Cl	733805167	FIBMCABMEGRKFS-UHFFFAOYSA-N	402.745	4.922	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)c1ccc(O)c(Cl)c1	734096639	UTMMOHJYEXBPJO-UHFFFAOYSA-N	423.687	4.610	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1C	734396965	IIUUNGHRQYLHNH-OMMIQNFISA-N	423.532	4.797	50	20	HJGD	
O=C(CCCCC(=O)NN=C1CCC[C@@H](C2CC2)C1)NN=C1CCC[C@H](C2CC2)C1	737418193	RKCWLNMKUGXAAR-BGYRXZFFSA-N	414.594	4.692	50	20	HJGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	737667128	TWIYHXGOGPLADA-NWGMWSOJSA-N	408.546	4.869	50	20	HJGD	
COc1cccc(Nc2ccccc2C(=O)NNc2ncccc2C(F)(F)F)c1	740087072	HPLRYQZQIRJWKE-UHFFFAOYSA-N	402.376	4.610	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(F)F)cc1	741840320	OYDJCUWCIKDEML-RIYZIHGNSA-N	406.816	4.847	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(Cl)cc1Cl)Nc1ccc(OC(F)F)cc1	741864307	CHHPNZMFWUDJIX-UHFFFAOYSA-N	421.256	4.618	50	20	HJGD	
CCCCN(C)c1ccc(C(=O)NNc2c(F)cc(F)cc2Br)cc1	741979680	GVBQIDBDYKTRNS-UHFFFAOYSA-N	412.278	4.721	50	20	HJGD	
C[C@H](O)[C@H](C)SCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	742460722	YMSFUINMBKGUEU-GJZGRUSLSA-N	410.461	4.575	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(O)cc3)cs2)c1C	743464144	APISUOCQXDSJCF-WQRHYEAKSA-N	406.511	4.890	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)c1C	749509397	MQEYRYMVDBGFDA-RGVLZGJSSA-N	404.514	4.765	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(Oc3ccccc3)nc2)c1C	749530998	ACLLMPCHNJSMLD-HMAPJEAMSA-N	414.509	4.926	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)Nc1ccccc1CCC(F)(F)F	757658441	SSNZAKOLGDMATC-UHFFFAOYSA-N	401.388	4.801	50	20	HJGD	
O=C(NC[C@H]1Cc2ccccc21)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762640621	QEWMQKANXKTKDB-GFCCVEGCSA-N	406.376	4.739	50	20	HJGD	
COc1ccc(/C=C2\N=C(SC/C=C\C#N)N(c3cc(C)cc(C)c3)C2=O)cc1	763299359	UPHOTUWEERWBDI-YAJPYVFJSA-N	403.507	4.869	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(CCC(=O)NNc2ccccc2C(F)(F)F)CC1	765592946	WHGYRMSNIKKNHZ-UHFFFAOYSA-N	415.456	4.576	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2nc(-c3c(F)cccc3F)cs2)c1	768015067	FRFLSFHZTKTEEZ-RIYZIHGNSA-N	412.417	4.747	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)c(Cl)c1F	768091082	SKHZBWNOAUGXLC-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
O=C(NNc1ccccc1F)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1	772544891	DBXZIHMPBOEQOS-UHFFFAOYSA-N	403.286	4.505	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1nc(-c2cc3ccccc3o2)cs1	774890948	GASLZLQOIAHKFD-UHFFFAOYSA-N	414.918	4.538	50	20	HJGD	
C[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1cccc(-n2cccn2)c1	775428780	FODBZTAGWZEACL-OAQYLSRUSA-N	415.477	4.537	50	20	HJGD	
Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777641018	SUIGFFOEOBUISV-UHFFFAOYSA-N	422.422	4.614	50	20	HJGD	
COc1ccc(NNC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)nc1	780666454	IKAQAKZDCXYFRA-UHFFFAOYSA-N	424.313	4.593	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1ccc(Oc2cccc(Br)c2)cc1	781366525	HHFBJPSHMPNOEJ-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1cc(C#N)cc(Cl)n1	782033963	TZIQOWGFKNWUKQ-UHFFFAOYSA-N	422.659	4.634	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2cccnc2)c(C)n1-c1ccccc1F	783671047	CFHPSWHEIYECKA-XOYGFPHKSA-N	414.484	4.899	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)cc(Cl)c1OC	786044608	PQFARHLPSQOYIC-VIZOYTHASA-N	405.281	4.624	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cccc(OCC#N)c1)c1ccc(Cl)cc1Cl	787144977	NLMIFHPGQOYUHO-GRRFOWRYSA-N	400.265	4.680	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccn2)c(C)n1-c1cccc(Cl)c1	790128187	FTOOBMYJUHBKNN-BKAYVGFPSA-N	404.901	4.927	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(-c3nccs3)c2)c1C	790872147	LMZWUXVBOPXYJC-MBTVCVBTSA-N	421.522	4.948	50	20	HJGD	
CC[C@H](C)c1ccc([C@H](NC(=O)NNC(=O)c2cccc(C)n2)c2cccs2)cc1	792792217	OCAIIALHBFCIFJ-BTYIYWSLSA-N	422.554	4.699	50	20	HJGD	
CCn1ncc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1C(F)(F)F	799237024	MAMONUDUFKPQOH-UHFFFAOYSA-N	403.408	4.665	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)[C@H](F)c1ccc(C(F)(F)F)cc1	801929468	PCBAJLLVJFIIKO-CYBMUJFWSA-N	409.152	4.761	50	20	HJGD	
COc1ccccc1/C=C(/C(=O)NNc1ccc([N+](=O)[O-])cc1C)c1ccccc1	805372854	GHPKMJCWNALDQK-HMMYKYKNSA-N	403.438	4.596	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1sc2ccccc2c1Br	811527806	ZDZFQJNHKCXWGX-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	814714270	ZJOSZSAYIMXTFE-HOCLYGCPSA-N	419.456	4.648	50	20	HJGD	
CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)c1ccc(Br)s1	814759897	RTUXLCQGPFPAMM-ZFWWWQNUSA-N	407.333	4.579	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2cccc(Cl)n2)cs1	817010533	GEELLKOVIKQUKH-UHFFFAOYSA-N	404.898	4.727	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1	879880715	QKQVRKFZOYNOEL-UHFFFAOYSA-N	415.415	4.626	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccccc2)ccc1OCCOc1ccccc1Cl	916249638	CWTLPMPRPRMIRA-UHFFFAOYSA-N	424.884	4.570	50	20	HJGD	
O=C(NNc1ccccc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	916571738	OBJJLOMIJIYBRN-RKDXNWHRSA-N	403.754	4.876	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@@H](c1ccccc1)C1CCCCC1	916639047	OVNGRBGBYOZRDM-FQEVSTJZSA-N	415.921	4.614	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl	917763949	OJLHJMJAQFORQC-LFIBNONCSA-N	418.324	4.603	50	20	HJGD	
Cc1cc(C)c(C(=O)CCCC(=O)NNC(=S)Nc2cccc(Cl)c2)c(C)c1	918680479	ZLYCJFCUEXLNKE-UHFFFAOYSA-N	417.962	4.636	50	20	HJGD	
O=Cc1cccc(OCc2cccc(C(=O)NNc3ccccc3C(F)(F)F)c2)c1	1318431461	LLPKRWUDKBYRKL-UHFFFAOYSA-N	414.383	4.854	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3cccc(OCC#N)c3)c2C)cc1	1318455884	QNHXSDKSCLMIND-HAHDFKILSA-N	424.504	4.528	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccoc3)cc2)CCC1	1786747717	VMUXOTBUGRYYFZ-GSXXRBPTSA-N	400.906	4.834	50	20	HJGD	
Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)cc1C	1788582445	LPICMNBYKLQQNN-FQEVSTJZSA-N	402.897	4.514	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cc2cc[nH]c2cc1F	1788587423	QSTAAOILWZHPQF-SFHVURJKSA-N	417.843	4.589	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1	1790255698	HWRWCGRHEHJTRQ-FQEVSTJZSA-N	409.917	4.713	50	20	HJGD	
Cc1ccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)s1	1791833038	DEADXCYDYAUTNS-BBVFFXRHSA-N	406.910	4.738	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)[C@@H](C)CC)C2	1793680361	VQIJWHJIHJDGIL-KHUIRXAESA-N	419.009	4.862	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)[nH]n1	1820860320	KQVYCFXPRZGCFV-WMLDXEAASA-N	423.344	4.695	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3cccn3C)s2)cc1Cl	725848280	ZNWVLOCNRJPXPU-UHFFFAOYSA-N	408.314	4.604	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc([C@H](C)O)cc2)c(C)n1C1CCCCC1	726192628	DFFFKRAMUWOHDV-CSMVZQPBSA-N	405.542	4.887	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	727850394	UQXJKHBBZUORQC-MSOLQXFVSA-N	413.304	4.640	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)N[C@@H](c1ccc(F)cc1)C1CCC1	729233779	VPDZPKKEKXSRGU-HXUWFJFHSA-N	415.534	4.642	50	20	HJGD	
C[C@@H](SCc1ccc(Br)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1	729286782	ZNVSQKWYUYJRGU-GFCCVEGCSA-N	414.328	4.913	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)n1	730209949	XJCZAFUBSGKJQH-SFHVURJKSA-N	416.909	4.863	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCOc2ccccc2C(C)C)c1C	732031852	IYFYLQHLYJEVNT-VZMFNRANSA-N	423.557	4.538	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cnnc4ccccc34)c3ccccc3n2)cc1	733810470	LMYXAGSDUWVQRI-UHFFFAOYSA-N	421.460	4.611	50	20	HJGD	
O=C(NCC1CC1)NNC(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1	741673966	AAJPCTIIULYIPY-UHFFFAOYSA-N	424.353	4.640	50	20	HJGD	
O=C(NCc1cc2c(s1)CCCC2)NNC(=O)Nc1ccc(-c2ccccc2)cc1	745654965	OCYIQGDYZKIBGX-UHFFFAOYSA-N	420.538	4.830	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1	746841586	ZPNWRZBNIACYDF-UHFFFAOYSA-N	411.594	4.740	50	20	HJGD	
C=C(C)COc1cc(C=NNC(=O)c2ccc(COc3ccccc3)o2)ccc1OC	747042435	QEKGYDVULLPAOZ-UHFFFAOYSA-N	420.465	4.586	50	20	HJGD	
Cc1ccc(Sc2ccc(C=NNC(=O)c3ccc(C#N)cc3)cc2[N+](=O)[O-])cc1	747051373	PLKOTYCJRDYNKB-UHFFFAOYSA-N	416.462	4.690	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccccc1C(=O)c1ccccc1	748184741	LGTRAPMFNLLOAV-UHFFFAOYSA-N	413.246	4.576	50	20	HJGD	
Cc1nc(-c2cccs2)c(CC(=O)NNc2ccc(OC(F)(F)F)cc2)s1	748501961	OYQZUFJJDDJBJN-UHFFFAOYSA-N	413.446	4.764	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1ccccc1OCc1cn2ccccc2n1	748577611	MHKSOEVWBGECGO-UHFFFAOYSA-N	412.493	4.549	50	20	HJGD	
CC[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@H](c1ccc(C)cc1)n1cncn1	756156603	KSOWPGODFKJDRO-ZJOUEHCJSA-N	418.632	4.785	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2ccccc2C(F)(F)F)c1-c1ccccc1	757767297	MVLKGDGKHJDKAN-UHFFFAOYSA-N	402.420	4.982	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)C2CCC(F)(F)CC2)c1C	763081297	MVMCMUWGAWGFRI-UNOMPAQXSA-N	406.473	4.750	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)c3ccccc23)cc(C#N)n1C	765816841	NPHHBSIHNVDISN-FBJMNJBLSA-N	402.885	4.796	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(C(F)(F)F)c2)c1C	768747098	IWQQDLNOIOZIHG-HNIBHBHRSA-N	420.431	4.982	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cncc(-c2ccc3c(c2)CCO3)c1	770953019	QVEBYRQKRHWWIY-UHFFFAOYSA-N	416.868	4.642	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)c1cccc(F)c1	772171427	IAWORDHLOAZVNZ-YBEGLDIGSA-N	418.262	4.793	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)c1cc(F)cc(F)c1	773171676	OHLLEIBPZKWBKH-VZUCSPMQSA-N	405.191	4.642	50	20	HJGD	
C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NNc3cccc(Cl)c3)c2)C1	773728901	DQAMJQAYCRCPDD-MGPUTAFESA-N	415.921	4.517	50	20	HJGD	
COc1ccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1O	777959175	WLLOQQPNVNGRRJ-UHFFFAOYSA-N	419.393	4.537	50	20	HJGD	
CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1C	777972944	IVHRCXVSWSWYPW-STQMWFEESA-N	422.485	4.837	50	20	HJGD	
COC[C@@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccc(C)o1	777983236	LYYVJAGETYJNFK-CYBMUJFWSA-N	421.409	4.911	50	20	HJGD	
C[C@@H](C#N)CSc1ccccc1NC(=O)NNc1ccccc1OC(F)(F)F	779426235	TWYTUCOMIKFYNZ-LBPRGKRZSA-N	410.421	4.986	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)C(=O)Nc1c(Cl)cccc1Cl	780149181	XQJZURQPDGDYJQ-OVCLIPMQSA-N	415.255	4.923	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CCCC[C@@H]2CCSS2)CC1	781367185	ZEFJIIZAQNPDGL-HZPDHXFCSA-N	402.626	4.606	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1	787184473	SLKGICZZPBQMDZ-COYFKBPASA-N	420.900	4.627	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)c2ccccc2)c1C	790090087	PGJNFKWTPBNOAY-JJIBRWJFSA-N	413.521	4.892	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[C@H]1CCCOC1	794881870	FBTQTMPHRQZPDO-BMANGOCTSA-N	412.829	4.943	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1cc(-c2ccccc2)nc2cc(F)ccc12	805471510	LVLBXTJZCMWDLF-UHFFFAOYSA-N	413.456	4.855	50	20	HJGD	
CC[C@H]1CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C[C@@H](C)S1(=O)=O	805772790	KQALVVBUHYJNKR-XLIONFOSSA-N	411.684	4.606	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccc(-c2noc(C(F)(F)F)n2)c1	807391635	BVFPVTTURSNVLE-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCC(F)F	809147398	NKFRNSLHQDXCSS-QPEQYQDCSA-N	422.815	4.547	50	20	HJGD	
COc1ccc(NNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C(F)(F)F)c1	816703830	VCPUQHHHADELCB-UHFFFAOYSA-N	411.361	4.594	50	20	HJGD	
Cc1sc(Cl)nc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014565	OCHNWZKJCKILHY-UHFFFAOYSA-N	403.735	4.899	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccnc2cc(Cl)ccc12)c1cccs1	875693238	XIAMVSLVWUWRST-UHFFFAOYSA-N	422.897	4.959	50	20	HJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	915842991	FGMLTHZTOYKCFK-MLJKTZRHSA-N	416.817	4.526	50	20	HJGD	
CN(C(=O)COC(=O)CCCC[C@H]1CCSS1)[C@H]1CCCc2ccccc21	917231134	XZWSNQDQNRQCLP-HKUYNNGSSA-N	407.601	4.780	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1C	918595479	RKUIGNVACWDZKP-YBEGLDIGSA-N	415.881	4.517	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccc(F)cc1	1116553577	ZOVKTJIUNBNDDZ-LEWCGWMESA-N	409.505	4.598	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1	1253442384	LSMOJVCDDPPBLI-UHFFFAOYSA-N	403.873	4.708	50	20	HJGD	
COc1ccc(C(=O)NNC(=O)c2sc3cc(C(C)C)ccc3c2Cl)cc1	1318530499	LAAOAYXMASXTTR-UHFFFAOYSA-N	402.903	4.762	50	20	HJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3cncc(Br)c3)cs2)cc1	1319527435	RMOTWEVTZNPKTN-UHFFFAOYSA-N	417.332	4.848	50	20	HJGD	
CCOc1ccc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1OC	1324033545	DXICBMXEIMAMDQ-LPYMAVHISA-N	423.557	4.734	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3c(C)c[nH]c3C)cc2)CCC1	1786205416	AHOSWFQJXQIBFF-FQEVSTJZSA-N	415.965	4.716	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nccc4[nH]ccc34)CCC2)cc1	1786444905	YMXQWCOHHANIRN-GOSISDBHSA-N	424.932	4.718	50	20	HJGD	
Cc1ccc(C)c(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)c1	1789650072	FBRCXFUREKDGNM-UHFFFAOYSA-N	424.617	4.903	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4[nH]ccc4s3)CCC2)cc1	1790487179	UAHZQKDBLFJPTI-OAHLLOKOSA-N	415.946	4.995	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)c3ccccc3)CCC2)cc1	1790488055	SCDPSQQWMHMRPX-RBUKOAKNSA-N	402.897	4.849	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2C)CC1	1830313765	RWKGZZKMHSZSRU-FGZHOGPDSA-N	419.009	4.565	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccccc1	6410523	IKNXPWKIYAYIRD-DGGAMASNSA-N	408.351	4.674	50	20	HJGD	
O=C(COc1ccc2ccccc2c1)N/N=C1/C(O)=Nc2c(Cl)cc(Cl)cc21	22010784	CRFYPIWFNIKJAD-UHFFFAOYSA-N	414.248	4.648	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1	730227168	VWXWPSJSROTDTJ-VKAVYKQESA-N	418.522	4.808	50	20	HJGD	
CC(C)(C)n1nc(C(=O)NNc2ccc(Br)cc2Cl)cc1C1CC1	733808448	QTYYVRCSFNCONA-UHFFFAOYSA-N	411.731	4.688	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2sc3cccc(F)c3c2C)c1C	734257109	FKCREBZFLRLNMC-UHFFFAOYSA-N	407.474	4.575	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3ccccc3F)CC2)c1C	736039543	GQJGBLHNAWKWLV-QWQBBLJPSA-N	423.532	4.765	50	20	HJGD	
Cc1ccc([C@@H](O)CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)o1	741397802	WJDYTKPUCASYRP-SMDDNHRTSA-N	408.829	4.662	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(Oc2cccc(Cl)c2Cl)nc1	741658723	DIDOBTYGNGGWQD-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
C[C@@H](C(=O)NNc1c(F)cc(F)cc1Br)c1ccccc1C(F)(F)F	741980587	LRBYNZOLMCOKGG-MRVPVSSYSA-N	423.179	4.993	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCC(OCC4CC4)CC3)c2C)cc1	743784529	LIXLWEWCCSHPBF-HZHRSRAPSA-N	417.553	4.727	50	20	HJGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(-c2ccccc2)cc1	743825932	LLDYPONWFJQTQN-DLBZAZTESA-N	405.420	4.875	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3nc(C)cs3)c2C)cc1	744312559	CQYCAVOTNMIKJS-ZDLGFXPLSA-N	407.495	4.518	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCOCC2)c(C)n1-c1cccc(Cl)c1Cl	746376732	HQPQLVAANMSYGV-SFQUDFHCSA-N	418.324	4.557	50	20	HJGD	
COc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)sc(C)c1Br	747590419	INDCEYSAJIDLMF-UHFFFAOYSA-N	409.227	4.603	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(Cl)cc1F	747645256	ATZPBOIFVJPHFU-UHFFFAOYSA-N	424.284	4.932	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COc1cccc(NC(=O)C2CC2)c1	748668280	ZNPHSBSACGVPPT-UHFFFAOYSA-N	423.538	4.751	50	20	HJGD	
O=C(CCc1ccccc1)NNC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1	750323546	WDRNSKOIENNUSJ-JOCHJYFZSA-N	421.928	4.587	50	20	HJGD	
O=C(CNC(=O)c1cccs1)NN=Cc1c2ccccc2c(Cl)c2ccccc12	750945169	IETJRSVVOPDEKD-UHFFFAOYSA-N	421.909	4.588	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1ccc(-c2ccc(Br)cc2)s1	754475362	DZROQXYOQOGSDJ-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
CC(C)Sc1c(Cl)cccc1NC(=O)NNC(=O)c1cccc2ncccc12	756731796	CUVNQSWSSSWTAP-UHFFFAOYSA-N	414.918	4.855	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccc([S@@](C)=O)cc1	756738605	MFOPDXUFTNRGHG-UVJXUPGXSA-N	420.749	4.772	50	20	HJGD	
Cc1c(CSC(C)C)cccc1NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	756757923	DSKRHFIBNHSCQA-UHFFFAOYSA-N	410.543	4.513	50	20	HJGD	
Cc1c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cnn1C	757188657	FVGQEBQGRSIMNA-FYJGNVAPSA-N	409.493	4.835	50	20	HJGD	
N#C/C(=C/c1ccc(F)c2cccnc12)c1nc(O)c2cc(Br)ccc2n1	759115943	CSKCCFOBDAJLAF-WQLSENKSSA-N	421.229	4.849	50	20	HJGD	
N#C/C(=C\c1ccc(SC(F)(F)F)cc1)C(=O)N1CCn2c1nc1ccccc12	767899919	NVCQMNTVNZFBCS-SDNWHVSQSA-N	414.412	4.602	50	20	HJGD	
CNC(=O)c1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1Cl	769972083	GPTOONNERYXWOQ-UHFFFAOYSA-N	422.099	4.808	50	20	HJGD	
CCCN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(CCCl)cc1)C(C)C	771157863	QGKSWZIQHAFAHQ-UHFFFAOYSA-N	422.978	4.529	50	20	HJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1Br	774133707	GOKKGSREOIWXIS-YHYXMXQVSA-N	408.595	4.983	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC(n2cccn2)CC1	777909899	CEFUTODPBFHQIB-UHFFFAOYSA-N	417.425	4.566	50	20	HJGD	
COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)CCCCCl)c1	780837799	VMBJKPYWCLRAEH-RTWAWAEBSA-N	407.963	4.575	50	20	HJGD	
O=S(=O)(Nc1nc2c(s1)COCC2)c1ccc(S(F)(F)(F)(F)F)cc1	782927583	VQTVMJRSQQGEDG-UHFFFAOYSA-N	422.422	4.674	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCCCc1nc(-c2ccc(F)cc2)no1	784699564	LJDLGBVIRJJRSO-MRXNPFEDSA-N	409.552	4.639	50	20	HJGD	
CCn1c2ccccc2c2cc(NC(=O)C(=O)NNc3ccc(Cl)c(F)c3)ccc21	785180512	ZASKYSNOMPUCPT-UHFFFAOYSA-N	424.863	4.689	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H]2CCOc3c(C)cccc32)c1C	789500348	QEGDJDDPTPNALB-SYMVZZDZSA-N	408.498	4.595	50	20	HJGD	
COc1cc(OC)c(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1	794701351	TUFYVGQPYOUFDH-LZYBPNLTSA-N	403.463	4.772	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccnn1-c1ccccc1C	794869700	MEAOYYGBCSIFIP-LFIBNONCSA-N	406.873	4.697	50	20	HJGD	
CCCN(N=Cc1ccc(OCc2occc2C(=O)O)cc1)C(=O)OC(C)(C)C	794992738	GAGWJHVRDIUPDZ-UHFFFAOYSA-N	402.447	4.538	50	20	HJGD	
O=S(=O)(Nc1cc2n(n1)CCCC2)c1cccc(S(F)(F)(F)(F)F)c1	795376584	BMWXOUZWODZFTN-UHFFFAOYSA-N	403.398	4.678	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	801647559	FYHDFXDTJIZIGZ-DHDCSXOGSA-N	401.857	4.809	50	20	HJGD	
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCC1(F)F	810440485	WDQPAUGYZBKMEA-SECBINFHSA-N	408.339	4.786	50	20	HJGD	
N#C/C(=C/c1cn2ccc(Br)cc2n1)C(=O)c1c[nH]c2cc(F)ccc12	811688020	KPNZEGMWCJELJB-WZUFQYTHSA-N	409.218	4.507	50	20	HJGD	
CO[C@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)c1ccc(Br)s1	814759895	RTUXLCQGPFPAMM-HIFRSBDPSA-N	407.333	4.579	50	20	HJGD	
Cc1csc(CC(=O)NN=Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)n1	818268893	SOZXXYBGTZKKOK-UHFFFAOYSA-N	409.458	4.892	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=C(\C#N)C(=O)N2CCCC2)cc1	915847877	VCJKUBLJXYXJRH-XMHGGMMESA-N	400.457	4.516	50	20	HJGD	
Cc1ncc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)s1	916506457	IBLIYXSCNOMEGX-JAIQZWGSSA-N	404.539	4.733	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)N[C@@H]1CCSc2c(F)cccc21	916556814	PPSBBYJEMXDIJH-CYBMUJFWSA-N	414.275	4.591	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1	920388119	SOIJHXYCCQVOGE-PXNMLYILSA-N	421.478	4.520	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1	920928622	WORFTMKZFLVQHG-UHFFFAOYSA-N	406.829	4.615	50	20	HJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1	921259407	QNILMYJQNLCBNC-SXGWCWSVSA-N	401.793	4.619	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccnc(Cl)c3)cc2)CCC1	1787380320	UCLSJCRBABETEH-QGZVFWFLSA-N	420.340	4.890	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Br)CCC2)cc1	1789456230	MKPLRKYNTOKWOS-SJORKVTESA-N	423.326	4.579	50	20	HJGD	
CCc1cnc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)s1	1789652832	GGCWNUMKMLNJQD-UHFFFAOYSA-N	419.978	4.718	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](F)Cl)n[nH]2)CC1	1818043025	AJGVMXSOYRAJKH-ILXVDBEPSA-N	412.937	4.543	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1	1830315081	VUDVEHJSPRZRNS-VXKWHMMOSA-N	416.993	4.815	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2csc(N(C(C)=O)c3ccccc3)n2)cc1	211509504	RBMPONMBRNXCIB-AQTBWJFISA-N	416.506	4.936	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)F)c1	729517003	NUHDRWXHEXCLTM-UHFFFAOYSA-N	423.794	4.928	50	20	HJGD	
C=CCc1cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)cc(OC)c1O	730437931	WPXWENHMKSGSBD-JYRVWZFOSA-N	404.285	4.743	50	20	HJGD	
O=C(CCC(=O)c1cccs1)NNc1ccc(Br)cc1C(F)(F)F	731477612	KDCUZOGSEKZZIO-UHFFFAOYSA-N	421.238	4.636	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ncc(-c3ccc(Br)cc3)[nH]2)c1	732714059	KITSIQAGIKNWSC-GDNBJRDFSA-N	408.255	4.638	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1	733892443	BOZYOSZEMHONKC-UHFFFAOYSA-N	402.753	4.753	50	20	HJGD	
CC[C@@H]1CCC[C@H](OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1	734724448	YQJARCHJPVBLOU-ZLRDPJONSA-N	402.498	4.883	50	20	HJGD	
CN(C)[C@@H](C(=O)NNc1c(Cl)cc(Br)cc1Cl)c1ccccc1	742133243	PHPMSZGJZUKQHD-OAHLLOKOSA-N	417.134	4.502	50	20	HJGD	
Cc1cc(C)c(NNC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)c(C)c1	743765504	SYHHPKYLHBXDTD-UHFFFAOYSA-N	400.320	4.850	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ncc(-c3ccccc3F)o2)c1C	744558133	DJFWELJQMPSDGU-WOJGMQOQSA-N	407.445	4.959	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1sc(Cc2ccccc2)nc1C	748741162	WFQUFBWQWUHJSJ-UHFFFAOYSA-N	416.344	4.870	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC2(c3ccc(F)cc3)CCC2)c1C	749624971	IMAIDVBCLKZZHH-LANLRWRYSA-N	423.532	4.597	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(=Cc3ccccc3F)CC2)c1C	757003542	DTTOHFIECKTVJR-KQWNVCNZSA-N	421.516	4.503	50	20	HJGD	
Cc1coc(-c2cccc(NC(=O)NNC(=O)c3ccc(OCCC(C)C)cc3)c2)n1	757671396	LAWIIUBSMADPLC-UHFFFAOYSA-N	422.485	4.541	50	20	HJGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)C[C@H]1C	758101213	ZJMRHZWKYHNWNB-WBVHZDCISA-N	419.481	4.580	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1)c1ccccc1	759668152	ZJGKLLFHKBASFE-QFIPXVFZSA-N	418.541	4.958	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)c(Br)c1O	761010913	FHAKBTNBQQUAFP-WDZFZDKYSA-N	410.626	4.746	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)C(=O)c1cccc2c1OCCO2	771514697	VBGLUDCGTBJTJX-BKUYFWCQSA-N	422.440	4.698	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	772804562	COELCWHXCDOKJE-ACAGNQJTSA-N	408.351	4.756	50	20	HJGD	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NNc1ccc2ccccc2n1	775508339	IDBVRUVUWYQLRW-UHFFFAOYSA-N	411.465	4.944	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ncc(Cl)cc2Cl)cc1NC(=O)C(C)(C)C	775618481	YITCZAWTCIKSQP-UHFFFAOYSA-N	410.305	4.830	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)Nc1ccccc1F	777464505	XFCKBGMJPCRQER-CXUHLZMHSA-N	414.362	4.635	50	20	HJGD	
CCc1cc(NNC(=O)c2c(-c3ccccc3)oc(C)c2C)nc(-c2ccccn2)n1	781933270	VHEKZDGEYZXBCP-UHFFFAOYSA-N	413.481	4.735	50	20	HJGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	782084321	YCPIJIXKYCGOMY-UHFFFAOYSA-N	416.890	4.695	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)n2)c(C)n1C[C@@H]1CCCO1	782850689	RPSRZHFCBXVNEQ-TYWAAFNRSA-N	419.312	4.531	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1cc(C(F)F)ccc1Cl	783371005	BPUGNCNPEYMCGR-UHFFFAOYSA-N	408.619	4.666	50	20	HJGD	
O=C1Cc2ccc(CC(=O)Nc3ccccc3S[C@@H](Cl)C(F)(F)F)cc2N1	783866343	PGYINZDXUJQKAE-QGZVFWFLSA-N	414.836	4.582	50	20	HJGD	
CN1CCC(N(C)CCN(C)Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1	792872515	OLBGKBGNRYHJGV-UHFFFAOYSA-N	419.730	4.666	50	20	HJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)NNC(=O)CCSc1ccc(F)cc1	797654542	OMFKEMGZSGGJGX-UHFFFAOYSA-N	424.501	4.531	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)Cc1csc(-c2ccccc2Cl)n1	798142682	OQOKIDZMFGCOFA-UHFFFAOYSA-N	422.341	4.716	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)cc2)cs1	799705916	RBGUSJKTOSCZDH-UHFFFAOYSA-N	402.401	4.766	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1	799760397	GJPKHRCBCZXFDP-UHFFFAOYSA-N	415.537	4.706	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc(C#N)c(Cl)c3)s2)c(F)c1	800534187	HFUWFNHUXWGZFY-UHFFFAOYSA-N	416.865	4.548	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cccc2cccc(Br)c12	807032096	SFGMICHULVIJEQ-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
O=C(/C=C\c1ccc(OCCCCl)cc1)c1ccc(N2CCOCC2)c(F)c1	811686586	FUECBYYODLMKEM-WTKPLQERSA-N	403.881	4.566	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cn1	812245032	LSFASMMCOYQSRT-ZROIWOOFSA-N	406.329	4.894	50	20	HJGD	
N#C/C(=C\c1cccc(I)c1)c1cc(C(F)(F)F)ccn1	812246011	AUMZDWUWFPYVIF-IZZDOVSWSA-N	400.141	4.769	50	20	HJGD	
Cc1nn(C)c2ncc(NC(=O)/C(C#N)=C\c3cc(C)n(C4CCCCC4)c3C)cc12	818611088	ZUVYZSMUWZCHTP-ODLFYWEKSA-N	416.529	4.746	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(Cl)ccc2Oc2cccc(Cl)c2)nc1	857490011	HBMUHPVXTCBQNI-UHFFFAOYSA-N	404.253	4.946	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2ccc3ccccc3c2)c(C)n1C[C@@H]1CCCO1	912574597	LLADDQAANNEWGU-MFUBYVTQSA-N	400.478	4.950	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc1OCc1ccccc1	915989179	BRAYODCCQCLDQP-JAIQZWGSSA-N	413.429	4.793	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCO2)C(=O)c1c[nH]c2cc(F)ccc12	917621544	VTAWUXIFISSNON-QDEBKDIKSA-N	413.202	4.588	50	20	HJGD	
CCCOc1cc(C)ccc1NC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	917745183	LHXRYVAIYSRITI-PKIWBCANSA-N	409.530	4.955	50	20	HJGD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	919774724	AOUCQVZFEUTCRQ-IBGZPJMESA-N	416.525	4.958	50	20	HJGD	
CC(C)(C)c1ncc(C=NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)s1	920360726	FLXTXNHHFFPWRM-UHFFFAOYSA-N	418.522	4.508	50	20	HJGD	
O=C(NCc1ccco1)NN=Cc1sc(Nc2ccccc2Cl)nc1Cl	920826158	RXAAJYUPBYJYOC-UHFFFAOYSA-N	410.286	4.620	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](CC)c2ccccc2)n[nH]1	1816745436	ZLNSXUJJOVPNHI-AOIWGVFYSA-N	416.953	4.613	50	20	HJGD	
CCOC(=O)c1csc(/N=C(O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)n1	49961130	JJTPFSLUHDYQGU-LZYBPNLTSA-N	400.504	4.589	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1	214856295	ZVNBHXAMDGXJCQ-DUPVFGOHSA-N	417.292	4.629	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@H](CC1CCCCC1)c1ccccc1	726279692	IFESGHWOJKFLOZ-JOCHJYFZSA-N	404.514	4.824	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)CCCc3ccccc3)c2Cl)c1	727688618	CDYLECFVYIKROL-UHFFFAOYSA-N	408.933	4.924	50	20	HJGD	
CCCCC[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1OC)c1ccccc1	728136872	OUTMIDOIWXGIMS-SFHVURJKSA-N	403.910	4.614	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2N2CCCC2=O)c1C	728208362	HNIMZXRBRARFQS-HKWRFOASSA-N	404.514	4.578	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1cccc(OC(F)F)c1)[C@@H](CC)c1ccccc1	728600027	WULSOZPZKNOJAR-SFHVURJKSA-N	405.445	4.506	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc(-c2ccc(F)cc2)o1	730568511	MOAYNGJMIMSLRP-UHFFFAOYSA-N	405.454	4.902	50	20	HJGD	
Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCCC[C@@H]2CCSS2)cc1	731625739	YOUCLYROGLGPQM-IAGOWNOFSA-N	410.630	4.549	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1ccc(OCc2cc(C)c(C(=O)O)o2)cc1)c1ccccc1	731931293	DSJREOZULMWCTH-NRFANRHFSA-N	420.465	4.509	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1	732000229	GRLMMFKMRMKETI-SECBINFHSA-N	421.111	4.650	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2cc(F)c(F)cc2F)cc1OCC	734552092	NFXRQDAQGLPTMJ-UHFFFAOYSA-N	402.800	4.702	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2c(F)cccc2F)c(-c2ccccc2Cl)n1	735698184	QSOLZQVUAAFPFN-UHFFFAOYSA-N	404.848	4.994	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(Oc2cccc(Cl)c2Cl)nc1	743816562	SKFNQTFSQRCGPS-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNc3ccc(Cl)nc3)cc12	743817026	YOVMASYMBVLRLI-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)NNc1ccccc1[N+](=O)[O-]	746093998	WTMONRRNXGHAFH-UHFFFAOYSA-N	410.396	4.607	50	20	HJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	746340348	GOZYFAZYSONBCL-RVDMUPIBSA-N	405.281	4.954	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2sc(C(C)(C)C)nc2C)cc1	747234416	UGJISJNFWHOAIZ-UHFFFAOYSA-N	404.605	4.723	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cnn(-c2ccccc2)c1C(F)(F)F	748019122	XDYPWWZWPSDFRM-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1cc2c(Cl)cccc2s1	748341052	MHDDMBHUTIHUHC-UHFFFAOYSA-N	421.913	4.652	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(CCC(F)(F)F)cc1	753316751	FBKCAYVZTUXPKA-UHFFFAOYSA-N	420.218	4.570	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)c(F)c1	757918806	GTAUJCQFTQWTRV-ZROIWOOFSA-N	408.351	4.711	50	20	HJGD	
Cc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)c(OC[C@H]2CCCO2)c1	758160914	AYSJUHHFHCIJFV-RTBURBONSA-N	409.617	4.883	50	20	HJGD	
CCc1onc(C)c1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	760078080	HKPVHTOJZYJWMG-PDGQHHTCSA-N	404.470	4.507	50	20	HJGD	
CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C(/C#N)C(=O)Nc1ccccc1F	763283728	QGQOWGMEARPBSK-AQTBWJFISA-N	402.473	4.914	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NN=Cc2sc(N(C)C)nc2Cl)cc1	767048288	YQXOMUBXEMBQGA-UHFFFAOYSA-N	408.955	4.586	50	20	HJGD	
N#Cc1ccccc1OCc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)o1	767404887	JDHIJFOFISDBJL-UHFFFAOYSA-N	420.227	4.933	50	20	HJGD	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NNc1ncccc1Cl	769965891	HBRWJGWUXOMFST-UHFFFAOYSA-N	410.865	4.836	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)C(=O)Nc1cccc(Sc2ccccc2)c1	770812340	OWXOOOWJYXQFKN-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H](Cn2cnc3ccccc32)C1	773107329	VEXMLJRYCQUBMA-QZTJIDSGSA-N	403.617	4.989	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cc(Br)ccc1Br	773869116	AWEJJIOOFYSOOF-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1	775585143	CDIIJFVCGUJPCK-UHFFFAOYSA-N	420.900	4.620	50	20	HJGD	
C[C@@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c2cccnc2O1	777676484	MKHIQHLNLBPJSA-SNVBAGLBSA-N	416.393	4.715	50	20	HJGD	
CCCCN1CCC(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	777913407	USWQUVXPIGYQOJ-UHFFFAOYSA-N	422.485	4.887	50	20	HJGD	
CCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778081191	XGLWKYKRHBOMDM-ZDUSSCGKSA-N	407.426	4.866	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cc(Cl)ccn2)cc1	778447129	DHULMKBRSXJHMQ-UHFFFAOYSA-N	417.900	4.712	50	20	HJGD	
C/C(=C/C(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1OC(F)F	779216809	KJLNSOYOKCRZNR-KHPPLWFESA-N	402.319	4.733	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccn1Cc1ccccc1C#N	782196975	DNISXKHRWQRKJF-XDHOZWIPSA-N	400.869	4.916	50	20	HJGD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NNc1ccc(Cl)nc1	784875823	YAJLBGDBEGAKAK-UHFFFAOYSA-N	418.950	4.550	50	20	HJGD	
CCCCOc1ccc(-c2nnc(COC(=O)/C(C#N)=C/c3ccccc3)o2)cc1	785377959	JEOLLUIRBCLEBO-XMHGGMMESA-N	403.438	4.566	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]	787147746	MMLADJXPNMIRRI-ZTFCMROMSA-N	420.252	4.695	50	20	HJGD	
COc1ccc(-c2cc(C(=O)Nc3cccc(NC(=O)NN(C)C)c3)sc2C)cc1	788253022	FBCGXHQUAGAMHH-UHFFFAOYSA-N	424.526	4.583	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)c1ccc2[nH]ccc2c1	789671991	OQNIZKHQYGGLHR-KKJJZKEWSA-N	404.514	4.754	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc3ccccc3n2)cnn1-c1ccccc1Cl	790849291	CDYRDTRBSOMOGP-UHFFFAOYSA-N	405.889	4.954	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1	804770375	XXVPMUJFQBRIEY-UHFFFAOYSA-N	404.228	4.515	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(-c3ccccc3)no2)c1C	808438391	DPYRLUVHWIBYLB-QREGZJMFSA-N	419.481	4.618	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc(OC)c1OCC(F)F	809147117	KUNWLLBCTGJCNR-AUWJEWJLSA-N	412.392	4.619	50	20	HJGD	
O=C1C[C@H](C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21	817015486	DVDCNVVPEPEDIB-AWEZNQCLSA-N	402.294	4.538	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1	913028720	LHBPICZLVOQLMI-JLPGSUDCSA-N	417.553	4.541	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc2c(s1)CCCCCC2	916142162	JOZJIZFAACSMAF-KGLIPLIRSA-N	402.482	4.537	50	20	HJGD	
COc1cc(C=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1OC(C)C	916335676	PUONJGUFCLOYEV-KRWDZBQOSA-N	406.482	4.553	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC(F)F	917143729	PIOOATXKAPXPKS-IZZDOVSWSA-N	420.213	5.000	50	20	HJGD	
C=CCNC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cc1	917798123	QCOQRRDCEVRLPY-PXLXIMEGSA-N	418.541	4.613	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)oc2ccccc12	918082121	KJLSYNFJCCGHIK-CQSZACIVSA-N	411.527	4.777	50	20	HJGD	
CC(C)Sc1ccc(C(=O)NNC(=S)Nc2cccc(Br)c2)cc1	918682205	YGFLQSDZKMGAKC-UHFFFAOYSA-N	424.389	4.581	50	20	HJGD	
Cc1cc(C)c(NNC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c(C)c1	919921211	OVQSZLBKLNHKHW-UHFFFAOYSA-N	401.938	4.640	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H](c1ccc(Cl)cc1)c1ccsc1	920046024	AJQKKDPRNJJPFT-QGZVFWFLSA-N	420.321	4.789	50	20	HJGD	
COc1ccccc1CC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1C	920376290	PDJUOUHIJYLRTQ-UHFFFAOYSA-N	424.504	4.549	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2c(Cl)nc(Cl)n2-c2ccccc2)n1	920387764	OVDQPXXVMLNFMQ-DHZHZOJOSA-N	419.293	4.876	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)c2nnc(CC34CC5CC(CC(C5)C3)C4)o2)c1C	1322151044	FEXJLNDRHJUTJK-YVNNLAQVSA-N	420.557	4.957	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cccc(OCc3cccc(C(=O)O)c3)c2)c1	1322566134	RTOQKXIBITWLDU-NHDPSOOVSA-N	413.429	4.762	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)CC3CCCC3)CCC2)cc1	1786070738	WVJSWIPJYUZBLA-OAHLLOKOSA-N	421.379	4.732	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830348134	ZNHNYOUUSVEDED-KUIZBPSLSA-N	409.014	4.760	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC	5155516	YMFXIOVMJKQTCS-RIYZIHGNSA-N	412.294	4.739	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	8055497	ZOOWAMDAWZWJPD-RGVLZGJSSA-N	413.477	4.985	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2CC)c1C	22521585	RJSRZUHMPVKIGP-KGENOOAVSA-N	407.514	4.556	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)NC(=O)CS3)c(C)n1CCC(C)C	302682607	ARGFRERWLRGXRA-ZDLGFXPLSA-N	422.554	4.741	50	20	HJGD	
Cc1ccc([C@H](NC(=O)NNc2cncc(Cl)n2)c2ccc(F)cc2Cl)cc1	731119499	TUOUYPYVHLSHMZ-SFHVURJKSA-N	420.275	4.647	50	20	HJGD	
O=C(NN=Cc1ccc(OC(F)F)c(Cl)c1)c1cc(F)ccc1Br	731486873	FPOARTMBIRSQKV-UHFFFAOYSA-N	421.600	4.607	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(C)(C)C)CC(F)(F)F)c1C	731990790	IQEPZGZOPVBODZ-QJVAEYLJSA-N	413.484	4.656	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccc1	732133203	SPRAIDFQWWOSKA-OTWHNJEPSA-N	419.550	4.687	50	20	HJGD	
COC[C@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	733175336	ROLNLRWPZWCLTG-HRVJUDJTSA-N	411.933	4.540	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3ccc(Br)c(C)c3)cs2)cc1	734254921	PDCUMXRPYAJWNS-UHFFFAOYSA-N	418.316	4.647	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(/C=C(/C#N)c3nc4c(C)ccnc4[nH]3)c2Cl)cc1	741472461	JHYHMXDBSYMXHZ-YVLHZVERSA-N	402.889	4.846	50	20	HJGD	
CC(C)NC(=O)NNC(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	741681623	RSVXJHLMXLLRAF-UHFFFAOYSA-N	412.342	4.638	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)c(Cl)c1	741855740	ADRKBIUBAMZOMC-UHFFFAOYSA-N	402.829	4.690	50	20	HJGD	
Cc1ccc(NC(=O)[C@H](NNC(=O)c2cccc3ccccc23)c2ccccc2)cc1	743477325	JIQMXCWCGRYXQG-XMMPIXPASA-N	409.489	4.763	50	20	HJGD	
O=C(NNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(OC(F)F)cc1	743832085	FTJVNQGLCPJTTL-UHFFFAOYSA-N	411.817	4.623	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(COC(C)(C)C)c2C)c1C	747346697	SBLXHOALMREHOT-HYARGMPZSA-N	423.557	4.921	50	20	HJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3cccc(Br)c3)c2)cc1	748020600	KFIHMVYZGUFDJG-UHFFFAOYSA-N	407.271	4.821	50	20	HJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	749463617	OFTMJXPYXPPHAO-QVYJARAXSA-N	408.405	4.814	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cccc(NCC(C)(C)C)c2C)c1C	757382632	QKUDYCVYXIJYDX-UHFFFAOYSA-N	418.545	4.679	50	20	HJGD	
CC(C)(C)OCc1ccc(NC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	757603174	IDAZZCFUCQFFEV-UHFFFAOYSA-N	410.301	4.775	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2ccccc2CCC(F)(F)F)c2ccccc2n1	757655524	FWTFBAYAHDSFKC-UHFFFAOYSA-N	416.403	4.505	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1	759311615	ZBTDCZINEYNYTG-UHFFFAOYSA-N	410.232	4.861	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2ccc(F)cc2F)c(C)n1CC(C)C	760240676	BZXFDPODNNJLAZ-TWIVVOHQSA-N	414.452	4.761	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(NC(=O)c2ccccc2)cc1	761590183	HJMVQMXCPIMKTB-UHFFFAOYSA-N	415.371	4.594	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ncco3)cc2)c1C	766674193	YSCCFYBDXXWPGM-DORSJAEJSA-N	404.470	4.513	50	20	HJGD	
COc1ccccc1-c1cc(C(=O)NN=C2CCC(C)(c3ccccc3)CC2)n[nH]1	766713454	PYYBVSXIDGCJKZ-UHFFFAOYSA-N	402.498	4.703	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)cc(Br)c2F)cc1Cl	768208032	TZJOBXRJOKZFBW-UHFFFAOYSA-N	403.038	4.524	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(OCc2ccccn2)c(F)c1	770059367	ADFCKGGABFDKRT-UHFFFAOYSA-N	409.446	4.558	50	20	HJGD	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OC[C@@H](C)CBr	770411791	PDWVYPMGSMCKNN-VIFPVBQESA-N	405.214	4.592	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1-c1ccccc1	773696866	JNUBJMONEKZOEF-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F	775470158	OAISZPSLCWWJBK-UHFFFAOYSA-N	412.799	4.856	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ccc3ccccc3n2)c1C(F)(F)F	777466508	COSUUXRPGVRNFH-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	777482690	PCUZWLWMCPHBDG-UHFFFAOYSA-N	421.888	4.713	50	20	HJGD	
O=C(NNc1ccccn1)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	779052655	QXLMBDGMSFYSLO-UHFFFAOYSA-N	415.375	4.501	50	20	HJGD	
CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc1	782822307	TYSCYZHZNPSXCO-UHFFFAOYSA-N	415.493	4.723	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N(C[C@H]1CCOC1)C1CC1	782984872	XYVNJEHUNYTFHG-LLVKDONJSA-N	407.426	4.534	50	20	HJGD	
CN(Cc1cccc(Br)c1OCC(C)(C)O)/C(=C\C#N)c1ccccc1	786450491	QRGVTXKNVVAFGS-UNOMPAQXSA-N	415.331	4.595	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2ccccc2n1CC(F)(F)F	787459065	RUDRCJCTWRGRNL-UHFFFAOYSA-N	401.310	4.979	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cnn(Cc2ccccc2Cl)c1	792873962	QMORVLBAWBBZIX-UHFFFAOYSA-N	412.280	4.543	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc3c(c2)CC(=O)N3)c(C)n1C1CCCCC1	797351811	TYIGTKABSYMDRK-YBFXNURJSA-N	403.482	4.617	50	20	HJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc3ccccc3nc2N2CCOCC2)s1	797405933	LTCNCOKKSSKIMJ-AQTBWJFISA-N	404.539	4.890	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](c3ccccn3)C2)c(C)n1-c1ccc(F)cc1	798709700	VGFNSBWKKWZHCL-BWCLHNGZSA-N	414.484	4.551	50	20	HJGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)c2ccc(F)cc2Br)C1	799109352	BISJDZRFWOXCTO-ZDUSSCGKSA-N	404.283	4.735	50	20	HJGD	
COC[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1cccc(Cl)c1	808799389	QWPRWRCOQZYNAV-HSZRJFAPSA-N	413.885	4.631	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cn4ccc(Br)cc4n3)n2)cc1	811687003	BDISKVQELMQFOT-RIYZIHGNSA-N	406.243	4.519	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccn2)n1	819840252	IUSJTOREVMZQDT-ATVHPVEESA-N	418.522	4.960	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)c1	913454570	QGSLYEMWLVAJBI-VMPITWQZSA-N	413.852	4.698	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)cc1Cl	916490642	IVYMIVUWVPAEPO-YQYFLZKSSA-N	415.921	4.910	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3)c(F)c2)c1C	917783791	QDBASEZSIVEVTR-SYERDGIWSA-N	424.520	4.597	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCN(C(C)(C)C)CC2)c(C)n1-c1ccccc1F	919851141	MSCVPAKJIKYYPA-HKWRFOASSA-N	422.548	4.519	50	20	HJGD	
Cc1cccc(-n2ncc(C(=O)NNc3ccc(C)c(Cl)c3)c2C(F)(F)F)c1	1115830616	MGHSNKMWEWPEOP-UHFFFAOYSA-N	408.811	4.918	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2ccc(C(F)(F)F)cc2[nH]1	1118943076	XJTLDXYWWXPURR-UHFFFAOYSA-N	403.282	4.842	50	20	HJGD	
CCOCc1ccc(NC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1	1342408033	LIWGHIDXVOHLPR-UHFFFAOYSA-N	413.474	4.557	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cncc3F)CCC2)cc1	1786444266	FYJYFVKKJKKAQF-OAHLLOKOSA-N	421.875	4.515	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccc(O)cc3)CCC2)cc1	1790489788	LJMHVTYDAWUEHU-FOIQADDNSA-N	414.933	4.647	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)ccc2F)[nH]n1	1815322619	UCIRQELLZZRUDM-QAPCUYQASA-N	420.916	4.571	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3cccc(Br)c3)o2)c(C)c1	195609152	OWMJXKRBXKHAMI-UHFFFAOYSA-N	415.287	4.995	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccccc1F	213145286	LJQALAAEGRODAL-LGMDPLHJSA-N	416.408	4.599	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)NCCc2cccs2)sc1-c1cccc(Cl)c1	726529331	PZEWGGMJDPDNRQ-UHFFFAOYSA-N	419.959	4.625	50	20	HJGD	
CC(C)(C)Sc1ccc(NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)cc1	726777084	DJHYJIWADJRSSB-UHFFFAOYSA-N	412.342	4.966	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cnn(-c2ccccc2)c1C1CC1	727171492	ILEMSGZAPRMNTK-UHFFFAOYSA-N	419.554	4.505	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)c1C	729235946	GIRSCBHPZKVEPD-IAFWPLRWSA-N	407.514	4.609	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H](c1ccc(Cl)cc1)C1CCCC1	729616479	ZVMKLFYVGMPOEO-OAQYLSRUSA-N	422.916	4.764	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCOc2ccccc2C(C)C)c1C	732031849	IYFYLQHLYJEVNT-KWJZBXMYSA-N	423.557	4.538	50	20	HJGD	
Cc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1NC(=O)C(C)(C)C	732047779	DMGVYZSRUZYVEN-UHFFFAOYSA-N	422.978	4.952	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2cccc(OC)c2OC2CCCC2)cc1	733280330	ZIOSGICNYDYIMS-HMMYKYKNSA-N	420.509	4.639	50	20	HJGD	
O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NNc1ccc(F)cc1F	733362147	FLHORFNVMFFQKF-UHFFFAOYSA-N	421.403	4.649	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)c2cc(Cl)ccc2OC)c1C	733938126	DXGIZWITWRSYGV-PACYTGELSA-N	415.921	4.544	50	20	HJGD	
C[C@@H](NC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1nc2ccccc2s1	734175680	APCVPZAJWHRAMB-MRVPVSSYSA-N	415.828	4.751	50	20	HJGD	
CN(C(=O)CCCC[C@H]1CCSS1)[C@@H](c1cccc(F)c1)c1cnn(C)c1	737829883	DKVFIADZUDXVFY-ICSRJNTNSA-N	407.580	4.821	50	20	HJGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(OC2CCOCC2)cc1	741879153	DSTAKWXBAVTGCL-UHFFFAOYSA-N	402.494	4.596	50	20	HJGD	
Cc1cc(C)c(NNC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)c(C)c1	743761328	ABFXABCVRRGTNI-GFCCVEGCSA-N	424.570	4.523	50	20	HJGD	
O=C(NNC(=O)Nc1ccc(-c2ccccc2)cc1)Nc1ccc(OC(F)F)cc1	743810524	JORVNYGKPWQGAC-UHFFFAOYSA-N	412.396	4.813	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccc(F)cc2)C2CC2)c(C)n1C[C@H]1CCCO1	747594269	JRJHPWSJYRVARP-QYAMMSNYSA-N	421.516	4.521	50	20	HJGD	
O=C(NNc1ccccc1Br)c1ccc(COc2ccc(F)cc2)o1	748060097	NZJIBFMOYUVUJV-UHFFFAOYSA-N	405.223	4.517	50	20	HJGD	
CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NNc2cccc3c2CCCC3)c1	748585361	INJTVSKVSZDZDJ-UHFFFAOYSA-N	414.937	4.896	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	748896780	XANSGNZGSFHHGE-UHFFFAOYSA-N	424.234	4.678	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc(C#N)cc1	749063703	PGGRWKMCAUVDBB-GFHXCNCHSA-N	421.460	4.547	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1NC(=O)C1CCCCC1	752390165	TYNWTHRSLOQCCS-QGOAFFKASA-N	421.472	4.899	50	20	HJGD	
COc1ccccc1-c1cccc(NC(=O)NNC(=O)CSc2ccc(C)cc2)c1	756513237	GIJJYBHZVSEVAK-UHFFFAOYSA-N	421.522	4.616	50	20	HJGD	
Cn1cc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(-c2cccs2)n1	769551070	HUUTVYHNUWQKOJ-QPEQYQDCSA-N	424.334	4.794	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(Oc2ccncc2)c(Cl)c1	775257464	LIBKTWJZCLUBRJ-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2OC)c1C	776406917	BPEAPMXYOHUERN-IREQLNLFSA-N	401.894	4.520	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c1	781037511	BYUHZTOBLAYQLS-UHFFFAOYSA-N	417.469	4.712	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(n2ccnc2)CC1	782978720	IQKPBGQCKCXLTI-UHFFFAOYSA-N	417.425	4.566	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NNc2ccc(Cl)c(OC)c2)c1C	790174279	GXABKZOTHPXTMH-BOPFTXTBSA-N	400.910	4.617	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc3c(c2)CCN3Cc2ccccc2)n1	794690997	LTMNMEIXAROYMM-DEDYPNTBSA-N	415.518	4.947	50	20	HJGD	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)[C@H]3CCCOC3)cc2[N+](=O)[O-])cc1	794883173	JMMRUKQTGLZOIT-PBXDPIQXSA-N	408.479	4.957	50	20	HJGD	
Cc1cc(C)c(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c(C)c1	804209200	PUCUELGOWKDKME-UHFFFAOYSA-N	400.404	4.845	50	20	HJGD	
COCCOCc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	809147753	UTCNZZZIPRFEAA-LFIBNONCSA-N	405.281	4.702	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)C(C)C)c2)c(C)n1CC(C)C	914727508	OBXHDKNLYYAKHB-JAIQZWGSSA-N	406.530	4.901	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c(C)c1	917864181	KROILEDPBLVPKC-LJJBLSSYSA-N	421.541	4.927	50	20	HJGD	
O=C(NCc1cccc2c1OCO2)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918542750	ZFHPWXIJLJKVNG-HNNXBMFYSA-N	418.824	4.956	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)c1c[nH]c2cc(Cl)ccc12	920243429	IYHCBLJMGZFZBY-WLRTZDKTSA-N	416.824	4.730	50	20	HJGD	
O=C(CCl)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1	1319674596	QHXOFFXBLWIRJP-OAHLLOKOSA-N	403.762	4.509	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Br)c1ccccc1Cl	1347383459	JUOQCUDNYBWWCG-UHFFFAOYSA-N	405.601	4.885	50	20	HJGD	
O=C(CCc1ccsc1)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1788186777	FCROIODYDDFVAY-UHFFFAOYSA-N	411.354	4.619	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3cccs3)cc2)CCC1	1788228626	AOZYHAPYMYCUIY-GOSISDBHSA-N	404.963	4.832	50	20	HJGD	
CCCCC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](Cl)COC)CCC2)cc1	1791314392	QCFJLUAWUYAJKJ-APWZRJJASA-N	408.970	4.591	50	20	HJGD	
Cc1c(F)cccc1C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791605440	LYEFLRNOYPZREJ-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1	1791944355	VYCWPAPZEAIRJM-IBGZPJMESA-N	402.922	4.672	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2cccs2)n[nH]1	1814412773	BPUOTJDVZAMHDV-OHKBXWSGSA-N	420.966	4.584	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)ccc2C)n[nH]1	1823143014	RFGLNQBVYNNWQP-IEBWSBKVSA-N	416.953	4.740	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccc(C)cc2)CC1	1830314155	WMWKNGDSQPRMFK-COPCDDAFSA-N	419.009	4.736	50	20	HJGD	
CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1	1831564586	RZJUIDBTFMEBIG-FRYIKTPZSA-N	414.993	4.603	50	20	HJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OCC	213181393	YNHRCTVJIQELDM-AQTBWJFISA-N	422.481	4.581	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1	726436305	YRGMFRAQOURWGV-UHFFFAOYSA-N	419.959	4.973	50	20	HJGD	
C[C@@H](NC(=S)NNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl	726436905	AFHUKXHSPWVFCL-SECBINFHSA-N	402.734	4.517	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3ccccc3C(F)(F)F)c3c2CCC3)c(C)c1	730159332	GJTYXBLJYVYYFK-UHFFFAOYSA-N	414.431	4.754	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@@H]2CCCOC2)c(C)n1-c1cccc(Cl)c1	730793686	UQKHIOQOXAIPAO-PQFHHTBUSA-N	411.933	4.540	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)N(C)c1ccccc1	732716332	OHSBJYNIPBPPJE-CPNJWEJPSA-N	404.901	4.772	50	20	HJGD	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)nn(CCCl)c2C)cc1	733895921	ZEQARPIBCQCFOT-UHFFFAOYSA-N	424.888	4.664	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3ncccc3Cl)c(-c3ccccc3)n2)cc1	734246292	MZJZJTPSQRDPSS-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ncccc2Cl)cc1C	734246759	PKPKETNTEGTJAX-UHFFFAOYSA-N	417.900	4.961	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1nc(-c2ccccc2)n2c1CCCCC2	734250108	QNPBATAUGBGQNW-UHFFFAOYSA-N	403.511	4.643	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1	743300903	NBBWILUBMYQYPG-IAGOWNOFSA-N	424.353	4.513	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1	745195928	WKNZAMKXPBLGJN-UHFFFAOYSA-N	413.449	4.697	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNc1cccc(C#N)c1	748046559	VROVFTYQMHJHED-UHFFFAOYSA-N	402.401	4.766	50	20	HJGD	
CC(C)(C)c1noc(-c2ccccc2C(=O)NNc2ccc(C(F)(F)F)cc2)n1	748500210	KBZXOQWGJUHTAM-UHFFFAOYSA-N	404.392	4.810	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NNc2ccc(Br)cc2Cl)cc1	748775801	FGYMOUVJDIOYFY-UKTHLTGXSA-N	420.694	4.551	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1SCc1csc(C)n1	751171126	XEHYFPJXHTVFGW-UHFFFAOYSA-N	416.480	4.880	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cn(-c3ccccc3)nc2C(C)(C)C)n1	758418764	RBAVVFCHLCMBSO-PTNGSMBKSA-N	406.511	4.867	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccoc3Cl)cc2)cc1	764750857	ZGHJCFXQJJTTFG-UHFFFAOYSA-N	418.902	4.646	50	20	HJGD	
C[C@@H](OC(=O)[C@@H](Br)C(C)(C)C)C(=O)Nc1cc(Cl)ccc1Cl	766749527	MDZXRLOACMGGCF-PRHODGIISA-N	411.123	4.673	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)nn1CCC#N	767930166	ALYFQBXSCZUZJI-ZHZULCJRSA-N	404.518	4.574	50	20	HJGD	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)NNc2nc3ccccc3s2)s1	770024978	JUSQIENEMBZEBT-ZDUSSCGKSA-N	410.528	4.838	50	20	HJGD	
CC(C)Cn1ccc2c(C(=O)NNC(=O)c3c(Cl)cccc3Cl)cccc21	772200904	ODZQDFXDMUDNGB-UHFFFAOYSA-N	404.297	4.679	50	20	HJGD	
CC(C)[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	773464968	BMBOFVOSIISWBP-OCCSQVGLSA-N	416.412	4.602	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)c(SC)cc1OC	775639465	RLHXSYGFDICSBF-JYRVWZFOSA-N	405.422	4.817	50	20	HJGD	
O=C(NCCc1ccc(CO)cc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	775975897	AANUCBGOTOCVPM-INIZCTEOSA-N	418.868	4.762	50	20	HJGD	
Cc1nc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(-c2ccccc2)s1	778539976	JIBLGGKCSGIPEY-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
O=C(NNc1cccc(Br)c1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	780948108	CTCMAIWINUDWSQ-UHFFFAOYSA-N	417.200	4.782	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ncncc3Cl)c3ccccc3n2)c(C)c1	781818907	QJBKWPPIFQGDLY-UHFFFAOYSA-N	403.873	4.719	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCCC[C@@H](S(C)(=O)=O)C2)cc1	792883048	VYFTVPHJORUZKZ-HXUWFJFHSA-N	411.684	4.608	50	20	HJGD	
O=C(NN=Cc1ccc(C(F)F)cc1)c1cc(-c2ccncc2)nc2ccccc12	794459997	PJTNONGAKUOLHK-UHFFFAOYSA-N	402.404	4.998	50	20	HJGD	
CCCN(N=Cc1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)OC(C)(C)C	794997396	ZCKBEWVQEIFRGV-UHFFFAOYSA-N	405.502	4.915	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	797398553	PPLPPOIQPOWBKU-RAXLEYEMSA-N	413.264	4.733	50	20	HJGD	
O=C(NN=C1CCC[C@@H]1CCCF)c1nc(-c2ccccc2)n(-c2ccccc2)n1	800807003	LGRZJOJGSUZYLW-QGZVFWFLSA-N	405.477	4.570	50	20	HJGD	
O=C(NNC(=O)c1cc2c(ccc3ccccc32)[nH]1)Nc1ccc(Br)cc1	801995046	WBMXBIAZSCTCHB-UHFFFAOYSA-N	423.270	4.550	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1Br	803118856	GZMWTJHVWMHDDC-UHFFFAOYSA-N	408.605	4.582	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C	805380898	BTNVTUOJLHAGAH-UHFFFAOYSA-N	402.863	4.745	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	805468458	RJMXYQGCARAODO-UHFFFAOYSA-N	404.314	4.539	50	20	HJGD	
O=C(NNc1ncccc1F)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	806217384	IZWSEBDLESYJBT-SNVBAGLBSA-N	401.294	4.655	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cc(Br)cc(Br)c3)nc12	809154494	WQRKIMXWDBNHDC-WCIBSUBMSA-N	418.092	4.856	50	20	HJGD	
CCSc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccn1	817014852	BASWVLYGJMDOKO-UHFFFAOYSA-N	409.355	4.988	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1	817930530	FOAJVBUVLMSLJU-UHFFFAOYSA-N	409.534	4.774	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c(C)[nH]1	914830756	VTKYQTFNZVSQOP-UHFFFAOYSA-N	418.884	4.575	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1O	916128917	JVRLYMQOLJPMAL-JYRVWZFOSA-N	411.870	4.723	50	20	HJGD	
O=C(NNC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(-c2ccc(F)cc2)s1	916158540	XLXREQIJWQIEIB-UHFFFAOYSA-N	413.861	4.764	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCCOC(c2ccccc2)c2ccccc2)cc1	916727052	JYFJKNVHXXSMPA-PTGBLXJZSA-N	413.473	4.952	50	20	HJGD	
COc1ccc([C@H]2CCCN2CCP(=O)(c2ccccc2)c2ccccc2)cc1	917039164	SQVNNITWYHERBA-RUZDIDTESA-N	405.478	4.846	50	20	HJGD	
COc1ccc(Cl)cc1CN(C)CCP(=O)(c1ccccc1)c1ccccc1	917063286	FGIDDRHPYOFQNE-UHFFFAOYSA-N	413.885	4.795	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cccc3c2OCCCO3)c(C)n1CC(F)(F)F	917145482	CALFALCXOQBZET-YBEGLDIGSA-N	404.388	4.618	50	20	HJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])c12	917216082	SLAHBDJZWALGRT-UHFFFAOYSA-N	415.837	4.542	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	917912211	VLVMZCXFJZKHCG-GOSISDBHSA-N	402.947	4.518	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2c(C)nn(Cc3ccccc3)c2Cl)cc1	918863818	CLQHQPYRSMVJAU-XDHOZWIPSA-N	421.884	4.552	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	921261502	GFNMRPAESJOCOT-WJDWOHSUSA-N	417.259	4.837	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ccc(-c2cccc(C#N)c2)cc1	1320005612	SBYBNCYARHDYQB-OAHLLOKOSA-N	418.884	4.584	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1ccn(-c2ccccc2C(F)(F)F)n1	1320404668	CUZHUYASAIDALG-UHFFFAOYSA-N	400.404	4.527	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)ccc1N1CCCC1=O	1322067261	ADZCQXPLJHTZJM-BKUYFWCQSA-N	418.541	4.742	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1	1785881066	WGXJDRABQBNRKV-OAQYLSRUSA-N	423.944	4.642	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2Cl)CC1	1829446753	MIOPDXRYUFMVQQ-HOCLYGCPSA-N	417.402	4.652	50	20	HJGD	
CCCCCc1ccc(/C=C/C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](Cl)CC)cc1	1847491567	PYAXXMLOYCADQL-CDJCOAQESA-N	416.993	4.652	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1C	5870182	VHQUUYFKRAZQAY-IQFISFIMSA-N	413.905	4.646	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2Cl)c1C	7164520	BAENKJHWNZGUJP-LDADJPATSA-N	420.900	4.756	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	727379999	DJUSTBXSHSEXOD-ULQDDVLXSA-N	416.653	4.995	50	20	HJGD	
CC(C)[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1nc(-c2cccnc2)no1	728073601	MKVONPQPNZTCPA-DOTOQJQBSA-N	406.577	4.659	50	20	HJGD	
O=C(Cc1csc(Cc2ccccc2)n1)NNc1ccnc2cc(Cl)ccc12	729515050	BCMNSMPTYUVKMS-UHFFFAOYSA-N	408.914	4.621	50	20	HJGD	
CCOc1cc(C=NNC(=O)[C@H](CC)c2ccccc2)ccc1OCC(F)(F)F	731931320	FGKCXBWHUNICFY-QGZVFWFLSA-N	408.420	4.670	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)ccc1Cl)c1cccc(OC(F)F)c1	731988966	OYOQAHVWEHOUAH-UHFFFAOYSA-N	416.811	4.683	50	20	HJGD	
CC(C)c1cc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)c2ccccc2n1	732976492	GMJKKGSTZCFFMR-UHFFFAOYSA-N	407.861	4.819	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1	733083868	SJKQMKCMELZRLR-GDNBJRDFSA-N	420.450	4.663	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)ccc1Br	734251234	HYUJMINPXXTUOS-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCOC[C@H]3c3ccco3)c2C)cc1	735025069	LSZDWYRJFCOPGV-CVGPFBNFSA-N	415.493	4.503	50	20	HJGD	
CCCC[C@@H](CC)CC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	735331841	RDYNZCVJLZLHGD-QGZVFWFLSA-N	403.548	4.537	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	740097619	NALLWGKWOCHJOO-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1	740764490	WVEILUVCIAPYAL-WQRHYEAKSA-N	420.900	4.756	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(CSC3CCCC3)c2)cc(C#N)n1C	740847425	RWYUCMXEUUWEBN-ODLFYWEKSA-N	404.539	4.927	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(C(=O)N(CC)CC)c2)c1C	741599347	LYLUYDICGGPUQH-PXLXIMEGSA-N	421.541	4.900	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccccc1C(F)(F)F	741673059	KGKBTSAQTXZUBD-AWEZNQCLSA-N	400.400	4.813	50	20	HJGD	
O=C(NNC(=O)[C@H]1CCSc2ccccc21)c1ccc(-c2ccc(F)cc2)s1	742035846	CCAKLNISDUNRKX-INIZCTEOSA-N	412.511	4.595	50	20	HJGD	
O=C(NNc1cnccn1)c1cccc(CSc2c(Cl)cccc2Cl)c1	743412356	FSWKVUCJYNEBEQ-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cnc(-c2ccccc2Cl)s1	747863267	FLLXGFSLIOMVIV-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
CSc1nc(-c2ccco2)nc(C)c1C(=O)NNc1ccc(Cl)cc1Cl	748018355	RXYIAONOINJTKH-UHFFFAOYSA-N	409.298	4.831	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2cccc3cnccc23)c(Cl)c1	748773351	MEUDDWXHLQPARD-UHFFFAOYSA-N	412.877	4.992	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl	751173357	DLFUOYPIXZTOAB-UHFFFAOYSA-N	412.012	4.831	50	20	HJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccc(Br)cc3Cl)co2)cc1	755700378	GQUHBSNZPVEERQ-UHFFFAOYSA-N	418.678	4.830	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	755947402	KXERASNJMRQPCC-HXUWFJFHSA-N	418.884	4.770	50	20	HJGD	
O=C(NN=Cc1cnc(C2CCC2)s1)c1cc(-c2ccncc2)nc2ccccc12	760226184	PRGSJSCKPAYNRD-UHFFFAOYSA-N	413.506	4.785	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)c1	760851591	YZRDVUGXSUSEEQ-UHFFFAOYSA-N	403.413	4.525	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cccnc1N1CCOCC1	762516801	BXHCFWFEMSIISL-UHFFFAOYSA-N	409.380	4.828	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1C	765864445	ZZOVFIHPMWTDES-FVTUNSQFSA-N	422.312	4.870	50	20	HJGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1c(Cl)cc(F)cc1Cl	768007031	GHFJPLKROYUIPZ-UHFFFAOYSA-N	404.250	4.910	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(-c2ccc(Cl)cc2)on1	771679231	VSWCRHGLBRGHBX-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc(OC)c1OC	773145422	RVMDQXOCUASTIM-MLPAPPSSSA-N	409.335	4.660	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCSC(C)(C)C)c(C)n1C[C@H]1CCCO1	775295122	ZBWMORJVGJNYSN-QRRJMBGHSA-N	404.576	4.656	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cccc(Br)n2)c(C)n1CC(F)(F)F	777915767	RJNWZGZOIFKLLG-GHXNOFRVSA-N	412.209	4.615	50	20	HJGD	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccccc1OC(F)(F)F	779210759	IVWWZSSDGRIQAB-NSHDSACASA-N	400.784	4.591	50	20	HJGD	
O=C(NN=Cc1scnc1C1CC1)c1cn(-c2ccccc2)nc1-c1ccccc1	782114024	HQXJAVBZJXFOJV-UHFFFAOYSA-N	413.506	4.637	50	20	HJGD	
COc1ccc(-c2csc3nc(CSCCCCl)nc(O)c23)cc1OC	782891380	WBSGFXVVBQOSSW-UHFFFAOYSA-N	410.948	4.943	50	20	HJGD	
C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NNc3ccccc3Cl)c2)C1	784776361	BHPASORWSPJIAZ-MAUKXSAKSA-N	415.921	4.517	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	787152187	WBNRVXXSZRIDMQ-OVGFGYAMSA-N	417.421	4.648	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3c(C)ccc(C)c3s2)c1C	790217180	YHWUZHWUKBZLPB-WQRHYEAKSA-N	408.527	4.524	50	20	HJGD	
CSc1ccccc1CN(C)C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	791898516	AWBPGYROTMSNST-JFLYLQGUSA-N	423.582	4.571	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCO2)C(=O)c1ccc2ncccc2c1	794884629	JOSVAJBTLZLENL-UUASQNMZSA-N	407.223	4.516	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2	806512737	STPSFQRUKDYZGH-INIZCTEOSA-N	420.542	4.622	50	20	HJGD	
Cc1cc(Br)c(C(=O)NNc2ccc(-c3ccccc3)nn2)cc1Cl	807031670	CLTLRQGEFAAIJZ-UHFFFAOYSA-N	417.694	4.625	50	20	HJGD	
Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)NNc2cccc(Cl)n2)n1	814584765	MDYBOHZODNSBMU-UHFFFAOYSA-N	424.814	4.705	50	20	HJGD	
CCOc1ccc(NNC(=O)CCc2nc3cc(Br)ccc3s2)cc1	817904842	SURJCNXFPZHINJ-UHFFFAOYSA-N	420.332	4.533	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(OCc3ccccc3)CC2)c1C	843733020	GNUOXTQXSXHYIK-KQWNVCNZSA-N	405.542	4.630	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNC(=S)Nc2cccc(C)c2C)cc1	913426013	XYKBKWOWXJZRLB-UHFFFAOYSA-N	424.595	4.604	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(NC(=O)C3CC3)cc2)c1C	917051173	BUMYWZLBDBAYNR-XSFVSMFZSA-N	405.498	4.766	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2cc(F)ccc2F)c(C)n1C[C@H]1CCCO1	918953364	SIRJFBXAQPFBKW-MLYRDGCOSA-N	414.452	4.774	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)c3ccccc3Cl)c2Cl)cc1	1328384427	KDKMSLUPRVRAIE-UHFFFAOYSA-N	401.297	4.619	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3F)cc2)CCC1	1786997189	TURFWKUUDPTOCB-HNNXBMFYSA-N	424.303	4.639	50	20	HJGD	
C[C@@]1(C(=O)NC2(c3ccc(NC(=O)CCBr)cc3)CCC2)CC=CCC1	1787673788	YTGVZERPLMJTGE-HXUWFJFHSA-N	419.363	4.652	50	20	HJGD	
Cc1cccc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)[C@H](F)Cl)CCC4)cc3)cc12	1789271950	SDQOBQPGPYTGHI-IBGZPJMESA-N	413.880	4.758	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C)CC1	1823894868	ZHXGSUMLTPKGNW-RTWAWAEBSA-N	422.972	4.775	50	20	HJGD	
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	207733282	NMERRDSGFRGICX-DSVMPHHWSA-N	406.492	4.739	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc(OCC(F)F)c2)c(C)n1CC(C)C	726514744	UDEIKIHSDAVTDY-JMIUGGIZSA-N	415.484	4.628	50	20	HJGD	
N#C/C(=C/c1cnc(-c2ccccc2)s1)C(=O)Nc1nc(-c2ccncc2)cs1	727264246	PHHCXYOKXQMPQL-YBEGLDIGSA-N	415.503	4.874	50	20	HJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3cc(F)ccc3Br)cs2)cc1	728436056	KGODWDBIKWKUQE-UHFFFAOYSA-N	418.291	4.784	50	20	HJGD	
CCOc1ccc(Oc2c(C=NNC(=O)C3CCC3)c(C)nn2-c2ccccc2)cc1	731932960	CSYIYJHPSYELDJ-UHFFFAOYSA-N	418.497	4.622	50	20	HJGD	
Cc1nc2c(s1)[C@H](N(C)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C)CCC2	732033074	AMTXFSNDLBGGMY-XQJRBFNUSA-N	410.587	4.969	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cc2c(Cl)c(Cl)ccc2[nH]1	732975360	LTPNAKKMSOSROZ-UHFFFAOYSA-N	422.659	4.935	50	20	HJGD	
O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NNc1ccc(F)cc1F	733363051	JWCCZDGTINRIBP-UHFFFAOYSA-N	402.828	4.883	50	20	HJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3nc2Cl)cc1F	739425029	AXHIXHXGNCKQLP-RVDMUPIBSA-N	423.879	4.814	50	20	HJGD	
CCCN(CCP(=O)(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	740883998	RPPZYSLMUHMVOB-SMIHKQSGSA-N	411.526	4.526	50	20	HJGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)o1	743540866	ADEOIPUZTLWUGY-FOIQADDNSA-N	404.470	4.606	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(SC)c(OC)c1	746340178	AQNRVLOXJLEQBD-RIYZIHGNSA-N	402.903	4.933	50	20	HJGD	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NNc1ccc(Cl)cc1Cl	748008492	WIWPBOLIQWOFCQ-UHFFFAOYSA-N	412.276	4.605	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cc(NCc2ccccc2)nc2ccccc12	750237276	YXRLNCHGFSUNFC-UHFFFAOYSA-N	404.420	4.882	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	751393211	RRYGYIVXPWLTDZ-IUOZQUQDSA-N	407.358	4.692	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)S(=O)(=O)c1cc(Cl)ccc1Cl	755697920	DPVUPNIHVNXSIV-NTUHNPAUSA-N	422.268	4.861	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	756772461	IOZYHPQFYBSXDR-SOUVJXGZSA-N	419.451	4.607	50	20	HJGD	
CCCC1(CNC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	760121344	RWTFIBJBUMLAKE-OAHLLOKOSA-N	408.873	4.541	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	760873520	PJDAIPJGXYWZCI-UHFFFAOYSA-N	403.413	4.525	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)N[C@@H](c1cccc(Cl)c1)c1ccccn1	761801281	SWAOTLZGGVHKBN-SFHVURJKSA-N	406.795	4.568	50	20	HJGD	
COc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1-c1ccccn1	767395272	AZVCBGXFQIYMSK-UHFFFAOYSA-N	406.244	4.960	50	20	HJGD	
Cc1ccc(COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c(C)c1	770998436	PSMXOJWBOQIYNE-HYARGMPZSA-N	410.477	4.731	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@@H]1CCc2ccccc2C1	773147883	AZADAWRBFHUPTP-OAHLLOKOSA-N	420.403	4.956	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1nc(-c2ccccc2)no1	783700428	DSOKKGWKQYPILX-JYRVWZFOSA-N	409.236	4.688	50	20	HJGD	
COCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1	787144620	KBVQNVKNVIPANZ-DSQDWWTGSA-N	419.308	4.803	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1cccc2c1CN(CC(F)(F)F)C2	800564100	ZFLQJEWZXLMQSH-UHFFFAOYSA-N	418.341	4.732	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@H](C(=O)N2CCCC2)C1	806401695	NCBREOFUYVJECZ-LBPRGKRZSA-N	413.412	4.820	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c1C	809290638	WVBYBQRUGFFSJX-KTFMGDLISA-N	411.571	4.891	50	20	HJGD	
CCOC(=O)c1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	817016013	BMKAOSVCFOIIBY-UHFFFAOYSA-N	420.309	4.658	50	20	HJGD	
CC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	913252337	GYGRQWXFHLSWAM-MBBOSUJBSA-N	404.388	4.541	50	20	HJGD	
CCCCN(Cc1ccccc1F)C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	914517616	YMVMZQVQEVWRFV-JCMHNJIXSA-N	411.521	4.626	50	20	HJGD	
CCC(=O)Nc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)c1	916058469	QDIKJXRTEIXLPD-PBGVMVHZSA-N	422.529	4.515	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)c3cc4c(s3)CCC4)c2Cl)c1	916315330	NCDJSAHEUGUPSU-UHFFFAOYSA-N	412.946	4.765	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC[C@@H](N2CCCC2)C1	916677276	VJYKHSBFJDMXSH-CZUORRHYSA-N	421.916	4.998	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c(C)n1CCC(C)C	917779813	KAQOKZJUERPFGB-HYARGMPZSA-N	420.557	4.835	50	20	HJGD	
O=C(NN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc2ccccc2c1	917939053	NIRPGRDTGCGFGX-HSZRJFAPSA-N	413.452	4.593	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1csc(-c2ccsc2)n1	920368009	LEOOWYRVQVXXOL-CQSZACIVSA-N	407.520	4.942	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(CN3CCCC3)c2)c(C)n1CC(C)C	1248613148	WLXYMKXHYZIMBN-UCQKPKSFSA-N	404.558	4.902	50	20	HJGD	
C[Si](C)(C)OCC(=O)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1	1786260480	IMWFNVRABQINLM-UHFFFAOYSA-N	402.611	4.552	50	20	HJGD	
CCCCCc1cccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](Cl)CC)C3)c1	1799878015	KHSQMXKDYXKGRP-LRSLUSHPSA-N	419.009	4.617	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1	1815324704	UXDPRYIDORUOGR-LUQKVYGDSA-N	406.958	4.556	50	20	HJGD	
Cc1cc(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c1	1824014720	WAURIRSYLKAWQG-NRFANRHFSA-N	419.009	4.802	50	20	HJGD	
C=CCn1c(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)nc2ccccc21	5619151	SVZHETFTOMJAIZ-XSFVSMFZSA-N	404.520	4.836	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)c3ccccc3F)cc2)cc1	8201860	JIAPBIXEDXUSKJ-XSFVSMFZSA-N	415.420	4.981	50	20	HJGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2ccncc2)cs1	64925792	XQOUSBZCCZCWKS-QPEQYQDCSA-N	400.366	4.779	50	20	HJGD	
C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)C(C#N)=C1Nc2ccccc2N1	105027697	OYPJCHCHYGQXAZ-ZDUSSCGKSA-N	421.913	4.848	50	20	HJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1OC	110092822	YPWAHCZLNUTTNS-ZROIWOOFSA-N	420.387	4.667	50	20	HJGD	
Cc1csc(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)n1	725857224	FOCJIVIEMBPXIU-UHFFFAOYSA-N	421.353	4.859	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1	726545934	DGMFFERBRDBOKJ-CNJGYECJSA-N	423.944	4.597	50	20	HJGD	
COc1ccc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)c(Cl)c1OC	730431457	QDECBCSUCMQVQG-UHFFFAOYSA-N	415.902	4.553	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C)c1ccccc1	732241589	AZDMNNXEQNRZRQ-QFBILLFUSA-N	422.554	4.704	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2Cl)C(C)C)c1C	734340448	AEESHZXTROCVSV-QUYTYNJFSA-N	413.949	4.825	50	20	HJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Br)c(OC(F)F)c(OC)c1	741469728	MJWZQCUBGHNYIV-HAAVITCDSA-N	402.235	4.971	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)NC(=O)CC3)c1C	741719342	DBPMKFXUDZDEFC-BKUYFWCQSA-N	424.504	4.833	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1	743059301	WLBNTTSJZAVLTL-ULLHUGNTSA-N	410.901	4.682	50	20	HJGD	
C[C@H](CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1	745771390	MIZMSRRREGXTRJ-MRXNPFEDSA-N	406.461	4.632	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1	748359722	IOTDXVFKAHPBJB-LUAWRHEFSA-N	413.852	4.780	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1	752162266	RANKLQAJFCTLSB-YBEGLDIGSA-N	420.831	4.672	50	20	HJGD	
N#C/C(=C/c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1nc2ccccc2nc1Cl	755407440	LQQXHAIQYALQSN-XFFZJAGNSA-N	420.753	4.987	50	20	HJGD	
Cc1nc2cc(NC(=O)NNC(=O)c3sc(-c4ccccc4)nc3C)ccc2s1	757987213	UNAOJTAVZKBVCN-UHFFFAOYSA-N	423.523	4.503	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC(=O)c2cc3ccccc3o2)c1	759667926	WUIDDUFHPJARDA-UHFFFAOYSA-N	416.481	4.824	50	20	HJGD	
Nc1nc(COC(=O)CCCC[C@@H]2CCSS2)nc2sc3c(c12)CCCC3	760030062	IWKZAMFROKEKLI-GFCCVEGCSA-N	423.629	4.910	50	20	HJGD	
C=C[C@H](CC(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1	760132525	PWEBXZJOEXCZCN-LJQANCHMSA-N	420.534	4.631	50	20	HJGD	
C[C@H](OC(=O)[C@@H](Br)C(C)(C)C)C(=O)Nc1cc(Cl)ccc1Cl	766749529	MDZXRLOACMGGCF-QPUJVOFHSA-N	411.123	4.673	50	20	HJGD	
COc1ccc(Br)c(C(=O)NNc2c(Cl)cc(F)cc2Cl)c1	767397397	ZYSIHAQAVXETRT-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H](Br)C(C)(C)C)C3)cs1	768384930	GIHGUXZBEFWZTF-HNNXBMFYSA-N	413.406	4.874	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3cc(Cl)ccn3)cc(-c3cccs3)nc21	778449299	FIWONKOXKPGYKV-UHFFFAOYSA-N	412.906	4.546	50	20	HJGD	
CC(C)CCOc1cccc(NC(=O)C(=O)NNc2cc(Cl)ccc2Cl)c1	783367586	GVXWRRXZLUSIQM-UHFFFAOYSA-N	410.301	4.500	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(OC(F)F)c(Cl)c2)cc1	787155493	QYFCRORLPDRFLX-DGGAMASNSA-N	406.816	4.734	50	20	HJGD	
COc1cccc(/C=C(/CC(=O)NNc2ccccn2)c2nc3ccccc3s2)c1	787496442	RTGRRBLMIXKDMS-LGMDPLHJSA-N	416.506	4.774	50	20	HJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccncc2)cc1	788349414	JAKRPNIRTLBBKX-PGMHBOJBSA-N	424.508	4.747	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ccc(OC(F)F)cc2)c1C(C)C	790804677	VUVNAOXLNBYMBM-UHFFFAOYSA-N	400.429	4.662	50	20	HJGD	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791740148	ZTTVTWCXJKONFS-UHFFFAOYSA-N	408.329	4.868	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC2CC2)cc1OC	797399247	VXCRPKFJZOCZJH-SXGWCWSVSA-N	412.873	4.692	50	20	HJGD	
COc1cc(NNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)ccc1Cl	797760542	PAIJUXJCRWULKU-UHFFFAOYSA-N	411.676	4.598	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cccc(OCc2cn3ccccc3n2)c1	799757826	LTVWKDAYHMGZAL-UHFFFAOYSA-N	400.482	4.541	50	20	HJGD	
COc1cc(C(=O)NCC(Cl)Cl)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	808131752	SYDZROPEUWDKJO-UHFFFAOYSA-N	419.648	4.583	50	20	HJGD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)NNc2c(C)cccc2C(C)C)n1	813089501	UBGXXVLEWHMLHJ-OAHLLOKOSA-N	409.490	4.564	50	20	HJGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)[C@H]1OCCc2sccc21	816596075	NJTKPSMWMXDQMZ-YCRPNKLZSA-N	421.522	4.518	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(NC(=O)c2ccccc2)cc1	875875430	VEQDCBMWAABDJK-UHFFFAOYSA-N	416.868	4.897	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2ccccc2[N+](=O)[O-])c(C)n1C1CCCCC1	886317789	AJZUIOCAYZKGPR-QGOAFFKASA-N	407.474	4.569	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)cc1	914871309	ARMIVMOAGUWIAW-PKIWBCANSA-N	422.525	4.913	50	20	HJGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1	916304503	AMSQAORYPSCJQS-UHFFFAOYSA-N	408.461	4.544	50	20	HJGD	
Cc1csc([C@H](C#N)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)n1	916844233	YSOGWBHTUWYYFK-KJAJEWJFSA-N	400.507	4.951	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(OC(F)F)cc2)c1C	918505748	XUKHMTUSOYBJAD-SMLKNPDNSA-N	418.440	4.564	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc2ccc(F)cc2s1	921233709	MTOBUUKVEPFUIW-UHFFFAOYSA-N	420.465	4.547	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)CCCSc2ccc(Br)cc2)nn1	1318694114	OTZYCGBVYKNHKB-UHFFFAOYSA-N	423.380	4.552	50	20	HJGD	
CCC1(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)CBr)CCC3)cc2)CCC1	1789199040	IMKWGXWZDVZFEU-HNNXBMFYSA-N	421.379	4.732	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)[nH]n1	1815324100	JEYLKOGGEPISIU-YFHUEUNASA-N	408.974	4.636	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)CC1	1830503712	HWVNGOAVKOBGPK-LEWJYISDSA-N	422.972	4.775	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccncc2)cc1	6841305	UZBBVYADKOARRN-HKWRFOASSA-N	405.461	4.788	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(OC)c1	33900588	ZXRDLNXOZDZXPT-BOPFTXTBSA-N	400.425	4.967	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2cccnc2)cc1Cl	207696378	WUOWWCSVBPWKLQ-WQRHYEAKSA-N	419.868	4.868	50	20	HJGD	
N#C/C(=C/c1ccccc1OCC(=O)N1CCCC1)c1nc(-c2ccccc2)cs1	215568833	KYHKJLWBLCCSDG-ZHZULCJRSA-N	415.518	4.875	50	20	HJGD	
COc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1Br	725760638	YTXVPYUJBMTPPH-CYBMUJFWSA-N	404.395	4.788	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccnc(Oc2ccccc2)c1	727174716	ZTAAIRGDSNVAFL-UHFFFAOYSA-N	406.511	4.629	50	20	HJGD	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NNC(=O)CCCc1ccccc1	727846301	OVPXJEXLYRLEAO-CQSZACIVSA-N	408.329	4.750	50	20	HJGD	
COc1cccc([C@@H](C)C(=O)NNc2ccc(Br)cc2C(F)(F)F)c1	731477552	JLHJATAFAKCCSG-SNVBAGLBSA-N	417.225	4.723	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2nc(-c3ccncc3)cs2)c1C	731627389	ZBTPRKFIXHACHK-UDWIEESQSA-N	419.554	4.647	50	20	HJGD	
CCn1cc(C=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cn1	732527864	MGESTZCQZBGKSF-UHFFFAOYSA-N	424.504	4.913	50	20	HJGD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	734312386	BQMGCOGXUJNVHC-UHFFFAOYSA-N	416.721	4.569	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cnc2ccc(Br)cn12	736409685	LVIKDYGDAKWDNJ-JYRVWZFOSA-N	405.255	4.676	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ncccc2C(F)(F)F)cnn1-c1cccc(Cl)c1	740097654	ODVJGBQJJLOTMP-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
Cc1cc(OC(=O)CCc2nc3cc(Br)ccc3s2)ccc1[N+](=O)[O-]	744037046	MFXOUELRIIQSIA-UHFFFAOYSA-N	421.272	4.814	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)c1C	746351601	XDQSNQNPTQRMHG-DEDYPNTBSA-N	420.513	4.716	50	20	HJGD	
CCc1cc(NNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)nc(-c2ccccn2)n1	746691886	JWWJBUDLKJESJV-LBPRGKRZSA-N	416.312	4.655	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)NC2CC2)c(C)n1CCC(C)C	746776682	HGXZPQWNQVGTBW-LDADJPATSA-N	424.570	4.650	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc(F)c3)c3cnn(C(C)C)c3n2)cc1	748089323	DBNDANGKJUBMFA-UHFFFAOYSA-N	403.461	4.884	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(F)(F)F	750895961	LGVFPGHUZKLKFW-CLXYIWAZSA-N	418.415	4.811	50	20	HJGD	
CCc1ncc(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)s1	752154304	DUMNKAXOWLOROF-UHFFFAOYSA-N	421.551	4.638	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](C)c2nccs2)c(C)n1-c1ccc(F)cc1	754724514	VCPGRMIFNIAGBA-DZBQEORWSA-N	408.502	4.517	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(CCC(F)(F)F)cc1	757610818	IFLSECIGOYNKBW-UHFFFAOYSA-N	409.452	4.551	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	758282571	HFPBLVRFKAJMLM-UHFFFAOYSA-N	413.562	4.761	50	20	HJGD	
CC(C)c1cccc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)n1	762148971	YXTGDOKNOGUNON-UHFFFAOYSA-N	416.856	4.509	50	20	HJGD	
Cc1cc(F)cc2c(=O)c(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)c[nH]c12	768928844	HOSKXPQBTUIBEH-UHFFFAOYSA-N	414.651	4.693	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	769975646	IQFLJBJMRZFPAB-UHFFFAOYSA-N	405.241	4.987	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NNc1ccc(F)c(F)c1F	770077518	NNPKDZXQWOGQFF-UHFFFAOYSA-N	410.396	4.908	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1ccc2occ(C)c2c1	776085815	UVMMGJYGHZNETR-UHFFFAOYSA-N	406.467	4.640	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C	777482036	SOHPWPUKIBTDQC-UHFFFAOYSA-N	422.492	4.557	50	20	HJGD	
C[C@@]1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCCC[C@@H]1O	782985727	UEPFHGVDQXSKFM-KBPBESRZSA-N	409.442	4.564	50	20	HJGD	
O=C(NNc1nccc2sccc12)C(=O)Nc1cccc(Sc2ccccc2)c1	783438370	QZKRAUOVAACMJA-UHFFFAOYSA-N	420.519	4.529	50	20	HJGD	
O=C(NNc1ccccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1Cl	784775673	YSEATVNGVNVGPW-UHFFFAOYSA-N	416.264	4.868	50	20	HJGD	
CC(/C=C(/C#N)C(=O)Nc1nc(-c2ccncc2)cs1)=C\c1cccc([N+](=O)[O-])c1	787169979	SLTSCLBCWFSWRN-CCJRVLTRSA-N	417.450	4.605	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccccc1SCc1cccs1	791070013	WAZSFIRBWLAILO-UHFFFAOYSA-N	403.460	4.845	50	20	HJGD	
CC[C@@H](C)c1ccc([C@@H](NC(=O)NNC(=O)c2cccc(C)n2)c2cccs2)cc1	792792221	OCAIIALHBFCIFJ-QVKFZJNVSA-N	422.554	4.699	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C	799760728	OWPJGEZWGOWXCH-UHFFFAOYSA-N	405.546	5.000	50	20	HJGD	
CCCc1noc2nc(CC)cc(C(=O)NNc3ccc(Br)cc3C)c12	800520910	QPUGWCJLLSISEL-UHFFFAOYSA-N	417.307	4.566	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	806204774	PYIHWELXSSFDGX-UHFFFAOYSA-N	419.441	4.613	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1OC1CCOCC1	806643981	QNMKKQKJRWWXAW-UHFFFAOYSA-N	413.371	4.551	50	20	HJGD	
C[C@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)[C@H](O)c1ccccc1	808340570	OQIORMXJABWEND-NHYWBVRUSA-N	417.421	4.744	50	20	HJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cn(-c3ccccc3Br)nn2)s1	811691955	VJSJHKPCBAYCDX-XYOKQWHBSA-N	414.332	4.848	50	20	HJGD	
CCc1cnc(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)s1	814697789	CPUUMSAAZLWLBU-UHFFFAOYSA-N	421.551	4.638	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	849210214	JQUCWWCDIALVJF-ZSOIEALJSA-N	422.790	4.756	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c3ncccc23)c1C	881467822	DNYBLMBBGJFXQR-SYERDGIWSA-N	402.498	4.715	50	20	HJGD	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NNc2cc(C)cc(C)c2)cc1	915065810	YZMMGNSPKGIDIA-UHFFFAOYSA-N	407.426	4.769	50	20	HJGD	
COc1cc(C=NNC(=O)c2cn(C)c3ccccc23)c(-c2ccccc2)cc1OC	915270930	VJLDQAJOTXRMLC-UHFFFAOYSA-N	413.477	4.626	50	20	HJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(O)c(OC)cc2Br)c1C	915860151	KTEQLOMVBIJDDU-NVNXTCNLSA-N	417.303	4.782	50	20	HJGD	
O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(F)cc2)nc2ccccc12	915923005	SJSSRKLLWMSDQR-UHFFFAOYSA-N	414.396	4.713	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(-c3nccn3C)c2)c(C)n1CC(C)C	918648446	WFPLCKLOIBBJRY-CIAFOILYSA-N	401.514	4.707	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)CCC(F)(F)F)c2C)cc1	1115889938	ADQNBIXNHNUHAD-AQTBWJFISA-N	419.447	4.811	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(Cn2cccc2)cc1	1325928217	ILKCRRJLBAQGBN-UHFFFAOYSA-N	404.695	4.709	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OC[C@@H]2CCCC(F)(F)C2)c(C)n1C[C@@H]1CCCO1	1345728864	BMSZPMYNGYLFLV-YOBSTWPBSA-N	406.473	4.560	50	20	HJGD	
O=C(CCCc1ccccc1F)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1786118709	YTPSBCRFORVOSW-HXUWFJFHSA-N	420.887	4.817	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1	1786244709	JTKYTIDPKYFJNU-KRWDZBQOSA-N	412.908	4.963	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc[nH]c4c3)CCC2)cc1	1786444567	IBPMEBHSIKSAEZ-SFHVURJKSA-N	424.932	4.718	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1	1787660795	XLBAQLCBJZGKHS-INIZCTEOSA-N	409.368	4.730	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	731489193	ADTQWOPWINWEFC-NTUHNPAUSA-N	404.221	4.933	50	20	HJGD	
COc1ccc(C(=O)NN=C(C)C23CC4CC(CC(C4)C2)C3)cc1Br	731937579	KMFVUBHJPOTGFI-UHFFFAOYSA-N	405.336	4.780	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc([S@](C)=O)c2)c(C)n1-c1ccccc1F	732122884	KQHSKEVIXMWMHK-KUGFYMKLSA-N	421.497	4.516	50	20	HJGD	
CCc1nnc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)o1	732310922	PSZMOVQHCGAOKR-MIQLPHMESA-N	404.470	4.559	50	20	HJGD	
CCn1cc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cn1	732529119	PUICTPVWVYKGPW-LICLKQGHSA-N	423.314	4.863	50	20	HJGD	
CC[C@@H](NC(=S)NNC(=O)c1cc2c(s1)CCCCCC2)c1cccs1	734372142	WRYDXCLISQBYAX-CQSZACIVSA-N	407.630	4.729	50	20	HJGD	
CC(C)[C@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl	734534934	IEYLGTNYPXVWRY-NAVXVDNBSA-N	403.954	4.584	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCCCC[C@H]2c2ccco2)c1C	736526922	UHFDRCDLOARRRS-KXNLXUQCSA-N	409.530	4.956	50	20	HJGD	
CCc1cc(NNC(=O)c2cc3c(Cl)cccc3s2)nc(-c2ccccn2)n1	738532193	SKXKXRRKMUSRTK-UHFFFAOYSA-N	409.902	4.726	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)c2ccc(C(C)C)cc2)c1C	741817837	GBUZAFYUTAPFHM-CSMVZQPBSA-N	422.525	4.596	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCN(C(C)=O)c3ccccc32)c1C	741973523	HTNSYUFDTCTZJR-CJLVFECKSA-N	418.541	4.602	50	20	HJGD	
COc1cc(C(C)=NNC(=O)CSc2nc3ccccc3s2)ccc1SC	747608081	UQXUKGIRMKCNJW-UHFFFAOYSA-N	417.581	4.659	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2CN(C)C)c(C)n1C1CCCCC1	747667146	XQAMXQXFSPCANC-BUVRLJJBSA-N	418.585	4.895	50	20	HJGD	
Cc1csc(Sc2ccc(C(=O)NNc3ccc(F)cc3C)cc2[N+](=O)[O-])n1	748563048	PMSZNRPSQVGIAA-UHFFFAOYSA-N	418.475	4.715	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1-c1ccccc1	754284300	ZEOGNEAAYANCHC-UHFFFAOYSA-N	413.865	4.624	50	20	HJGD	
CSc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl	760265866	WFSWMUXITDEGKY-UHFFFAOYSA-N	413.370	4.693	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	763623415	CGUPOTVFGGNUKY-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)O[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(-c2ccccc2)n1	771011670	UCGDURZKOVJNSD-UCUYKZSTSA-N	414.509	4.883	50	20	HJGD	
CCOC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773250247	APWRLFUSKBGAJC-GFCCVEGCSA-N	416.412	4.558	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cccc(COc2cccc(F)c2)c1	775273419	WSLRFBSIVQKAAO-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC(F)F	778517285	KLKZYZLTVGZJSO-WLRTZDKTSA-N	422.771	4.691	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)NNc3c(F)cccc3Cl)cccc21	779098177	WNJUKDXPUAYLGE-UHFFFAOYSA-N	419.884	4.924	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(Oc2ccccc2)o1	779704674	VPGCLLPQHHXCNC-VBKFSLOCSA-N	404.422	4.983	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=S)Nc2cccc(OC(F)(F)F)c2)c(Cl)c1	783738095	AZLUCYMCUPWRBS-UHFFFAOYSA-N	418.828	4.570	50	20	HJGD	
C[C@@H](CC(=O)NNc1c(F)cc(F)cc1Br)c1c[nH]c2ccccc12	783784425	OQRJZMPFFWUMHO-JTQLQIEISA-N	408.246	4.846	50	20	HJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3cccc(F)c3[N+](=O)[O-])cs2)cc1	790588452	YXBGSFFCCHFEOI-UHFFFAOYSA-N	400.435	4.738	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc3c(cc2Cl)OCCO3)c(C)n1CC(C)C	790822508	ZKKGZCPPVAVSNL-IUXPMGMMSA-N	413.905	4.731	50	20	HJGD	
O=C(Cn1cc(Br)cn1)Nc1ccc(S(F)(F)(F)(F)F)cc1	792550125	NHNUICAUWVFKRX-UHFFFAOYSA-N	406.174	4.942	50	20	HJGD	
CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792873164	RSEKFMQWAFHJKS-VJBWXMMDSA-N	418.698	4.892	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)C1(Cc2ccccc2Br)CC1	815855091	DWAGBGMHISGLBH-UHFFFAOYSA-N	411.246	4.517	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](O)CC2)c(C)n1-c1cccc2ccccc12	819323818	GLFMSDVYWOYIPL-PLJYQOKSSA-N	413.521	4.528	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccccc1CSC1=NCCS1	912641687	JDGWWLLWJKNEJP-UHFFFAOYSA-N	411.474	4.798	50	20	HJGD	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)c1cccc(Cl)c1	913192943	DJQPEUMGRFVGRV-UHFFFAOYSA-N	424.671	4.685	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(F)cc2F)c(C)n1C[C@H]1CCCO1	918952160	GGBUYKDKCOBARE-MLYRDGCOSA-N	414.452	4.774	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2c(C)nn(Cc3ccc(C)cc3)c2C)n1	920387209	IYEMKSUAJAXSLI-ZDLGFXPLSA-N	406.511	4.554	50	20	HJGD	
CC(C)Oc1cccc(/C=C(\C#N)c2nc(O)c3cc(Br)ccc3n2)c1	921265326	DMOVFNMUKORCMK-RIYZIHGNSA-N	410.271	4.949	50	20	HJGD	
CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)cc1	1789649666	BXIBUVVHPVIZQH-UHFFFAOYSA-N	424.617	4.848	50	20	HJGD	
C[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)C3(C)CCCCC3)CCC2)cc1	1791435817	LBCKRYGPRUAXGM-HNNXBMFYSA-N	421.379	4.874	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)Cl)n[nH]1	1818043311	GXOKVKLKWFVHAE-YJBOKZPZSA-N	414.953	4.933	50	20	HJGD	
CC1(C)CCC(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](F)Cl)[nH]n2)CC1	1820975609	BXVRBLIZUIBXGQ-QAPCUYQASA-N	412.937	4.543	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1	1822957915	IHRGXCVWZIAKSJ-WIVVBHTDSA-N	420.985	4.637	50	20	HJGD	
CC(C)c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)cc1	1831598754	XRQJZRQIDGUDGV-UNMCSNQZSA-N	422.972	4.507	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H]2C2CC2)C1	1841274212	ZBZQBMPIWLLPPL-NHCUHLMSSA-N	423.041	4.986	50	20	HJGD	
O=C(CCc1nnc(-c2ccccc2)o1)NNc1c(Cl)cc(Cl)cc1Cl	20898906	KWCRKMDGJVHICN-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2c3ccccc3cc3ccccc23)n1	254409345	PRDCQQDKWOLBDM-UHFFFAOYSA-N	400.507	4.642	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2ccc(F)cc2)c1	301240788	NQTYPCZKSMNCMO-UHFFFAOYSA-N	404.420	4.883	50	20	HJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNC(=O)CCCc3ccccc3)cs2)cc1	727717182	ZUQMFTSAFDASFH-UHFFFAOYSA-N	421.566	4.646	50	20	HJGD	
CN(c1ccccc1)c1ccccc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792530	WHFZUXIIXPTLQP-UHFFFAOYSA-N	414.292	4.836	50	20	HJGD	
O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NNC(=O)C1CCCC1	727989688	ULSIVPWKELKRIJ-UHFFFAOYSA-N	423.944	4.613	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3ccc4c(c3)OCO4)n2)cc1	728438268	RJUKUECRIOMYME-SXGWCWSVSA-N	403.463	4.647	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C)c1OC(F)F	730830134	MCVBYPMEDXDTLW-UHFFFAOYSA-N	419.306	4.589	50	20	HJGD	
C[C@H](Oc1ccccc1F)C(=O)NNc1ccc(Br)cc1C(F)(F)F	731478198	FWAYSHPNRAIORE-VIFPVBQESA-N	421.188	4.518	50	20	HJGD	
CCc1nnc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)o1	732309874	JFOOFRWAPUQVKU-DISPHTKASA-N	424.888	4.904	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(COc3ccccc3Br)cc2)cc1	748114831	DSZLKXFEHHQADN-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	748570809	WVPGRAUDTFVOJA-UHFFFAOYSA-N	400.404	4.527	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1	751226719	YMJXUMZQMGOFOB-UHFFFAOYSA-N	421.497	4.927	50	20	HJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2ccc(C#N)c(Cl)c2)cc1	753305916	BKFFGABCNVKBSA-UHFFFAOYSA-N	402.841	4.941	50	20	HJGD	
CNC(=O)CC1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	753930188	XBENQVCHUIUKIH-UHFFFAOYSA-N	401.401	4.724	50	20	HJGD	
COCCC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)C(C)C	756819276	FZRCMXGCYOOVKI-UHFFFAOYSA-N	410.543	4.634	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2nc3ccccc3[nH]2)c(C)n1C1CCCCC1	768495726	OQUIAMROWZHDCC-QGOAFFKASA-N	402.502	4.537	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)n1	770038373	KFJFHOOXAJQLCZ-UHFFFAOYSA-N	421.395	4.618	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(C(=O)NCc2ccccc2)cc1	771131013	BSYVKUZKKTXECV-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(C(F)(F)F)cn1	775256629	DFQKOFVMCZWRGI-UHFFFAOYSA-N	407.417	4.985	50	20	HJGD	
CN(C(=O)c1ccccc1NC(=O)NNc1cccc(Cl)c1)C1CCCCC1	775541021	SGCNLGGJXZCBRT-UHFFFAOYSA-N	400.910	4.893	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3cc(F)ccc3C)cc2)n1	777876861	DDJRMPQFDFSUMK-UHFFFAOYSA-N	408.502	4.597	50	20	HJGD	
CN([C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)S(=O)(=O)CCCCCl	780807576	VMCPKIKEIDLWDO-SFHVURJKSA-N	404.334	4.849	50	20	HJGD	
CC(C)c1nc(SCC(=O)/C(C#N)=C2/Nc3ccccc3N2C)c2ccccc2n1	783452261	NDVXYLFRAMLJCX-JWGURIENSA-N	415.522	4.711	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCC(C)(C)C3)s2)cc1	783855781	OAMVFELGGKAGSV-UHFFFAOYSA-N	420.629	4.913	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(Br)cc1NC(=O)[C@H]1CCOC1	787960965	VUNXQWAJKFKNJC-AWEZNQCLSA-N	414.416	4.946	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H]2CCCc3ccccc32)c1C	790159015	ZTRTZJMEBMLDJT-XUWMWVKWSA-N	405.542	4.755	50	20	HJGD	
Cc1c(F)ccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	791041273	HFOSEQKTKCEPBC-LTXFRBGYSA-N	415.896	4.931	50	20	HJGD	
CSc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	798569578	VFKUEFLVHVFONJ-NJDFOOMFSA-N	423.582	4.790	50	20	HJGD	
COc1c(NC(=O)CCCC[C@H]2CCSS2)cc(Cl)cc1C(=O)N(C)C	803799374	BNJXFZHHNXSIMD-ZDUSSCGKSA-N	416.996	4.703	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)c1OC	806554677	XPEASBXPLYFSNP-UVTDQMKNSA-N	404.438	4.873	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ccc(Oc3cccnc3)cc2)c(C(F)(F)F)c1	808896372	BCJGVFUECWLIBI-UHFFFAOYSA-N	413.359	4.913	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(C(C)(C)C)c(Cl)c2)c1C	810407665	KGIDHKQWMTUXMN-UHFFFAOYSA-N	409.921	4.863	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2C)c1C	855899951	YJJSAPPMWFMBCA-IDCRMVTHSA-N	421.541	4.999	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C)c1ccc(F)c(F)c1	914517464	USPPHWVCEYJNDP-ZNBBLSJYSA-N	401.457	4.551	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1	915913818	CISHZDTWNRSGKO-NRFANRHFSA-N	407.901	4.636	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)C(=O)Nc1ccccc1C(F)(F)F	915985386	UASKEBKEBTZDPS-XFXZXTDPSA-N	400.385	4.770	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=S)Nc3cccc(C(F)(F)F)c3)cc2C1	916127199	FXDWFCFRMANAED-JTQLQIEISA-N	413.490	4.523	50	20	HJGD	
O=C(CC(F)(F)F)NN=Cc1c(Cl)cccc1OCc1ccccc1Cl	917551960	NDUFOPBYYCNTDP-UHFFFAOYSA-N	405.203	4.975	50	20	HJGD	
O=C(/C=C/c1ccsc1)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791603414	IVXOACCTKWTEAL-FARCUNLSSA-N	409.338	4.699	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CC(C)C)cc1)C2	1793682878	HNNVDQJYTGQTNA-PLACYPQZSA-N	404.982	4.544	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cc2ccc(F)cc2s1	23787401	AQQPFSDVQLPTKG-UHFFFAOYSA-N	411.483	4.547	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc(Br)c1O	221849733	RCXPEZSGOQALTH-AWNIVKPZSA-N	414.284	4.746	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)o1	730216264	NTFPGCSADVJTFW-GOSISDBHSA-N	410.474	4.785	50	20	HJGD	
Cc1nc2cc(F)cc(C(=O)NNc3ccc(Br)cc3Cl)c2nc1C	733805152	DWKCILUMBIIPDG-UHFFFAOYSA-N	423.673	4.559	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cn(-c2ccccc2)nc1-c1ccccc1	734246742	JZQSTLIBYWLOJC-UHFFFAOYSA-N	411.490	4.906	50	20	HJGD	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	737542037	DRBTZXYWSKYTJW-JTQLQIEISA-N	419.230	4.652	50	20	HJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=S)Nc1cccc(C)c1C	740084814	ADRUBXSUULNICS-UHFFFAOYSA-N	423.460	4.518	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccccc2OCc2cn3ccccc3n2)c(C)c1	743761762	ACIRUEBXJFRPEC-UHFFFAOYSA-N	400.482	4.595	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2cccc(OC(F)F)c2)cc1	747033045	BTXXDNRZRROLPA-GZTJUZNOSA-N	408.408	4.636	50	20	HJGD	
O=C(NN=Cc1c(F)cccc1Cl)[C@H]1Cc2ccccc2CN1Cc1ccccc1	747615124	RLQYNSJNTXBRAO-HSZRJFAPSA-N	421.903	4.556	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cc(COc2ccc(Cl)cc2Cl)on1	748276752	LSPYHRMOTWHEAB-UHFFFAOYSA-N	414.195	4.596	50	20	HJGD	
O=C(Nc1cccc(NS(=O)(=O)c2ccc(CCCl)cc2)c1)C1CCCCC1	749875883	KWCHFNPYTZNERJ-UHFFFAOYSA-N	420.962	4.788	50	20	HJGD	
C[C@H]1CCC[C@H](CC(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)C1	749931001	LNOCUYVLUSCPNB-QWRGUYRKSA-N	407.889	4.893	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C	753171396	VMAWVFHMLMMISK-UHFFFAOYSA-N	406.324	4.731	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3ncco3)c2)c1C	754218829	UVJYAYGSRODHOC-YODDIOPGSA-N	404.470	4.513	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(-c3ccccc3)nn2)c1	754469559	DPBOPWMGIJTPRW-UHFFFAOYSA-N	423.904	4.539	50	20	HJGD	
CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	757297273	KOEIGEDYDADFFL-GLKRBJQHSA-N	408.873	4.539	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)NNc1ccccc1C(F)(F)F)c1ccccn1	760859612	IFBGRIQFMFVOHE-LJQANCHMSA-N	416.403	4.525	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2ccc(F)c(C#N)c2Cl)cc1	761392542	NKEOZTCYLMSHFE-MHWRWJLKSA-N	419.847	4.699	50	20	HJGD	
Cn1ccc([C@@H](NC(=O)CCCC[C@H]2CCSS2)c2ccc(Cl)cc2)n1	762678843	IAAQODSZPCJONN-LPHOPBHVSA-N	410.008	4.993	50	20	HJGD	
COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccco1	769444364	BQGIOQQTOMXDRG-OAQYLSRUSA-N	419.930	4.528	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccc(Oc2cccc(F)c2)c2ccncc12	770023335	MLRGYZUODJHKTL-UHFFFAOYSA-N	424.823	4.758	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	771152544	JVIVQIKNACOMSS-GDLZYMKVSA-N	411.502	4.732	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(C(=O)NC2CCCC2)cc1	775523708	MRMCQWPNKLBNGK-UHFFFAOYSA-N	406.408	4.526	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1	775616997	IASZCXWMDALCIF-UHFFFAOYSA-N	414.400	4.726	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(/C#N)C(=O)c1ccccc1OC(F)F	775639828	WMEVJLUYZDQHKN-PDGQHHTCSA-N	407.420	4.940	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)C(=O)Nc1ccccc1C(F)(F)F	780148416	REDCLLLTJOYVOP-SXGWCWSVSA-N	414.362	4.635	50	20	HJGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNc2c(Cl)cc(Br)cc2Cl)C1(C)C	780811201	SCIPXOHBBUKHGK-WPRPVWTQSA-N	422.150	4.840	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2ccccc2n1CC(F)(F)F	780850390	FVRAVECZRIUZLW-UHFFFAOYSA-N	401.310	4.979	50	20	HJGD	
O=S(=O)(NCCCOCC(F)(F)F)c1ccc(S(F)(F)(F)(F)F)cc1	782983708	PDJCCBPTWBWMGL-UHFFFAOYSA-N	423.347	4.591	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C[C@H](C)c1c[nH]c2ccccc12	784741090	LKFJLLIIQPSAAK-AWEZNQCLSA-N	418.522	4.555	50	20	HJGD	
CCC(C)(C)c1ccc(Oc2ccc(NC(=O)C(=O)NNc3ccccn3)cc2)cc1	784796355	LDIVOXBOIJTPLF-UHFFFAOYSA-N	418.497	4.643	50	20	HJGD	
CCc1cc(NNC(=O)CCC[C@H](C)c2cccc(OC)c2)nc(-c2ccccn2)n1	790690048	MZMTZCRZGDWZNU-KRWDZBQOSA-N	419.529	4.527	50	20	HJGD	
C=C(CBr)CN1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1	791542202	YCGCIZDKEAZAMS-OAHLLOKOSA-N	407.377	4.949	50	20	HJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NNc1cc(Cl)cc(Cl)c1	792444439	IEWHYANZDAKMDT-UHFFFAOYSA-N	424.328	4.699	50	20	HJGD	
CO[C@@]1(C)CCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	797376480	RJADWJIXJZHMDL-INIZCTEOSA-N	416.412	4.700	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)oc2ccccc12	804208189	BFVOWEKWOIWFJE-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)s1	810021388	SRZHEPRMBDVPAY-UHFFFAOYSA-N	415.437	4.895	50	20	HJGD	
COc1cc(F)cc(NNC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)c1	810528306	RLYTZXVAHWAOFO-UHFFFAOYSA-N	421.444	4.657	50	20	HJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(\C#N)C(=O)N(CC(F)(F)F)C1CC1	811690910	HNWSPSGARBZIEA-WNEGCBGQSA-N	400.347	4.695	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cccc(Br)c1Cl	813047570	AKJVKHIQLSGHPS-UHFFFAOYSA-N	424.726	4.616	50	20	HJGD	
Cc1sc(CNC(=O)NNc2cccc(Cl)n2)nc1-c1ccc(Cl)cc1	814287212	YSYZZAHYHCMLIU-UHFFFAOYSA-N	408.314	4.647	50	20	HJGD	
Cc1c(-c2ccccc2)oc2c(C(=O)NNc3cccc(Cl)n3)cccc2c1=O	817008038	BGLKWOCULMVYHF-UHFFFAOYSA-N	405.841	4.574	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	913263059	URBBTRDQZYLLEP-SREVYHEPSA-N	416.321	4.507	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2c(Cl)cccc2Cl)c1C	914501709	MOTUYMOUOAEJAO-BOPFTXTBSA-N	420.340	4.624	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccc(F)c(F)c1	914516336	JLHMGENXBFITGU-ZMUHTPIZSA-N	413.468	4.522	50	20	HJGD	
CC(C)Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1	915287612	UMTJXFABNQIHOP-UHFFFAOYSA-N	421.324	4.616	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OCC(C)C)c2)c(C)n1C[C@@H]1CCCO1	917701048	QMVYGMQRVJNCLL-YXFINDDBSA-N	421.541	4.864	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cn2cc(Cl)ccc2n1	920755466	KEZYIHMYPPUBJS-WUXMJOGZSA-N	401.253	4.504	50	20	HJGD	
COC(=O)N1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	1116617144	WGCIHBPGVYBSPF-UHFFFAOYSA-N	403.373	4.650	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H](c1ccccc1)c1ccc(Cl)cc1	1321718266	LQHMZWQDQHLEEE-LJQANCHMSA-N	414.292	4.727	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccccc34)CCC2)cc1	1786444200	DZZTXKKFORHRML-SFHVURJKSA-N	424.932	4.718	50	20	HJGD	
CCCCCc1cccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](Cl)CC)C3)c1	1799878014	KHSQMXKDYXKGRP-CIAFKFPVSA-N	419.009	4.617	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccc(Cl)c(C)c2Cl)C1	1846783512	HYWQWKCGYUIUFW-HNNXBMFYSA-N	417.764	4.526	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	15469511	VOBWIHAHYNRHMV-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cc1	25674605	MLVDEGVRIQUMBM-LDADJPATSA-N	412.449	4.552	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OCc2ccccc2)c1	211578246	VBYLFNPBJKKTOZ-ZHZULCJRSA-N	414.461	4.828	50	20	HJGD	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792378	RLXPDFSAHHPUAB-CYBMUJFWSA-N	409.313	4.654	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nccn2Cc2ccccc2)c1C	728601235	ABNPYQKHPPXLLS-JCMHNJIXSA-N	401.514	4.696	50	20	HJGD	
COc1ccc(S[C@H](C)C(=O)NNc2ccc(Br)cc2Cl)cc1	729276701	KOFQXBQGPIIAJC-SNVBAGLBSA-N	415.740	4.735	50	20	HJGD	
Cc1cn(-c2ccccc2)nc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	730202067	ZOXXOVVYMYBDPM-MTJSOVHGSA-N	401.514	4.801	50	20	HJGD	
O=C(NN[C@H](Cc1ccccc1)c1ccccc1)c1cc(F)ccc1Br	732919627	NZHJNLLFIUNTDW-HXUWFJFHSA-N	413.290	4.807	50	20	HJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=Cc3c(Cl)cccc3OC(F)F)sc2n1	732923532	DALHTGCFIVKQAE-UHFFFAOYSA-N	424.860	4.514	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@@H](C)c2c(Cl)cccc2Cl)c1C	734256965	WEQWATIQILDWJP-LBPRGKRZSA-N	416.312	4.709	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cn(-c4ccccc4)nc3-c3ccncc3)nc12	741468486	HBWACUKKNPMOST-AQTBWJFISA-N	403.449	4.578	50	20	HJGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNc2c(Cl)cc(Br)cc2Cl)n1	742005616	CERWLPZPUCNUBO-JTQLQIEISA-N	420.138	4.664	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(NC(=O)c2cccs2)cc1	747589903	TUEXSIUFJHXILE-UHFFFAOYSA-N	405.401	4.776	50	20	HJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNc1ccc(Br)cc1F	748203357	LZKHFIJWNQXKAC-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	748585027	ZARPQZXRLQRCLO-GHXNOFRVSA-N	406.225	4.846	50	20	HJGD	
Cc1cc(N(C)C)cc(C)c1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	752854942	CCOWGTFAVMFXQO-QCHPHUCNSA-N	420.557	4.512	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(Cl)nc1	758106693	JBSPFNYVHDYELB-UHFFFAOYSA-N	416.312	4.636	50	20	HJGD	
CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762604538	IDAGBFHZYZFKSI-UHFFFAOYSA-N	416.393	4.504	50	20	HJGD	
Cc1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c2c(O)nn(C)c2n1	762761242	NYAWWRTXFVHXBZ-UHFFFAOYSA-N	408.352	4.892	50	20	HJGD	
N#C/C=C\CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1	763302195	TWPTTXXPBMJZLY-PLNGDYQASA-N	401.289	4.521	50	20	HJGD	
COC(=O)c1ccccc1-c1ccccc1C(=O)NNc1cccc2c1CCCC2	768089761	ARCBLUBIFKOSNG-UHFFFAOYSA-N	400.478	4.776	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Br)c1	768267749	CXUUPDFJJRXOQA-JYRVWZFOSA-N	407.214	4.905	50	20	HJGD	
COCCOc1ccc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1	769845329	CYXOSTPAYPPZRN-LQFHHUIYSA-N	412.536	4.714	50	20	HJGD	
COc1ccc(Oc2ccc(NC(=O)NNc3nc4ccccc4s3)cn2)cc1	770040150	VCXXCVDKNYADMQ-UHFFFAOYSA-N	407.455	4.641	50	20	HJGD	
CN1CCCC[C@H]1CCN(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777979639	RUFIZLQKSAJUQC-ZDUSSCGKSA-N	422.485	4.839	50	20	HJGD	
O=C(Nc1nc(-c2cccs2)cs1)C(=O)NN(c1ccccc1)c1ccccc1	782820365	CEJTYZGSKFJNFB-UHFFFAOYSA-N	420.519	4.680	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H](c2ncc[nH]2)C1	782985535	OZQKYYOSVJBMCE-NSHDSACASA-N	417.425	4.635	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1	785244457	DOYZOYCEOCKWMY-VYVDHXHBSA-N	401.441	4.584	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCCC1	786192271	TYDHUBLZCXBLNC-UHFFFAOYSA-N	420.435	4.789	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccnc(Oc2ccc(F)cc2F)c1	789996739	YDTLPGHTTZUAKN-UHFFFAOYSA-N	409.314	4.928	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(Br)cc2)c1)c1cnc2ccccc2n1	790227491	JSYNQPUOSMZNOA-OQLLNIDSSA-N	402.255	4.642	50	20	HJGD	
COc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c(OCCOC(C)C)c1	791728457	KEPFCZJSSOCIRM-UHFFFAOYSA-N	413.301	4.563	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1	812767787	UBBAPMSEVMWUED-UHFFFAOYSA-N	415.497	4.530	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	816486809	SCKRNSOTKLEYLN-UHFFFAOYSA-N	420.300	4.638	50	20	HJGD	
CCOc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC	817014096	RHAKPXADPOCJAZ-UHFFFAOYSA-N	422.325	4.888	50	20	HJGD	
O=C(NNc1ncc(F)cc1F)c1csc(-c2ccc(Cl)c(Cl)c2)n1	857533099	HYWYTRLPOXDJRD-UHFFFAOYSA-N	401.225	4.547	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	915843609	KLNVVYJATFXPCC-CPNJWEJPSA-N	404.470	4.748	50	20	HJGD	
Cc1cccc(NC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1	916645716	POXHBPJTSNKNGX-UHFFFAOYSA-N	414.440	4.816	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1	918573698	ASGLLMCZRLKWMN-ZOLHPDHPSA-N	417.553	4.541	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(C)c(OCc3ccccn3)c(C)c2)n1	920387721	OCBDQEGYBWHIRK-WOJGMQOQSA-N	419.506	4.975	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1Cl	1255036183	KGEMDICEKLMSHU-UHFFFAOYSA-N	401.894	4.656	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1	1323998998	BOUKKAWJIUIJDN-HNNXBMFYSA-N	424.726	4.735	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccsc3)cc2)CCC1	1788237154	NNSSOTXEZMVLQY-GOSISDBHSA-N	404.963	4.832	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cccc2nscc12	1788588673	GBFWYSNCZJCCSA-QGZVFWFLSA-N	417.893	4.578	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826265470	WGLRVSHLZHZWEB-RTWAWAEBSA-N	411.030	4.984	50	20	HJGD	
Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c1	1830552820	XPDYGRWODCDYHT-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CO[Si](C)(C)C)CC1	1831465382	MEFDZUFZTLEXQL-TZIWHRDSSA-N	424.702	4.674	50	20	HJGD	
CC(F)(F)C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1842843798	ZYIQIOGLTRQXFU-UHFFFAOYSA-N	406.945	4.595	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2SC(=O)N(C)C)c1C	110647997	HIZWCLPQNVMYQX-AQTBWJFISA-N	410.543	4.834	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc(Br)c1OC	213512923	NDOBZNASXQSGAE-ZSOIEALJSA-N	404.235	4.785	50	20	HJGD	
Cc1c(C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)oc2c1ccc1ccccc12	729691209	JRVLBPAPKSNFMU-UHFFFAOYSA-N	418.522	4.592	50	20	HJGD	
Cc1ccccc1N(C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)C(C)C	729832199	SKCHOHAWBLGWRY-SINAZASISA-N	405.542	4.941	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3cccnc3)c2C)cc1	733153187	JNNAYEOVKKSIFC-OVBDPADQSA-N	414.509	4.672	50	20	HJGD	
COc1ccc(O)c(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	734060616	XWUJLGOROAJMHM-OAHLLOKOSA-N	420.840	4.942	50	20	HJGD	
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)NN(Cc1ccccc1)c1ccccc1	740460904	UUWFVVVZIFMBHJ-QHCPKHFHSA-N	403.482	4.598	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)C3CCCCCCC3)cc2)cc1	743300456	FBSHMNDOLNSACF-UHFFFAOYSA-N	400.544	4.631	50	20	HJGD	
CC[C@H](CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1	745311030	RBBKLJVKHYRKHZ-GOSISDBHSA-N	402.498	4.883	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1ccc(F)cc1Br	748075448	YODYAIDTNAMRQX-UHFFFAOYSA-N	402.267	4.659	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)c1	748401670	VUNUCVUHINJBJT-UHFFFAOYSA-N	423.557	4.715	50	20	HJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)Nc3nc(-c4ccncc4)cs3)co2)cc1	749887901	ZWSHWBLKWXVMIE-YVLHZVERSA-N	413.462	4.714	50	20	HJGD	
CC[C@H](C)c1ccc([C@H](NC(=O)NNC(=O)c2ccc(C)o2)c2cccs2)cc1	752841092	SBMGMCXACVDBIM-XOBRGWDASA-N	411.527	4.897	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc2nc(C(F)F)[nH]c2c1	753169856	MKVDQOJMWRARAP-UHFFFAOYSA-N	409.234	4.582	50	20	HJGD	
COCCn1c(C)c(C)c2cc(C(=O)NNc3cc(C(F)(F)F)ccc3F)ccc21	754152798	ZZPXDJUDDZHCAB-UHFFFAOYSA-N	423.410	4.819	50	20	HJGD	
CC(C)c1ncc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)s1	758359717	CZVLGIMIUPTEBA-UHFFFAOYSA-N	415.522	4.883	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3cnc(C(C)C)s3)cc12	758359807	RWLDPVUURMGVGM-UHFFFAOYSA-N	409.540	4.739	50	20	HJGD	
O=C(O)c1ccc(F)c(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762457722	SHWKCZYUOMYREY-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
CCn1nc(C)c(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1C	762458194	XUEPFIZRBUEOLA-UHFFFAOYSA-N	405.414	4.978	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@@H]1CCO[C@@H](c2ccccc2)C1	765917766	ZLUSTEZYRQOGCV-BXUZGUMPSA-N	415.708	4.588	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)c([N+](=O)[O-])c1	768331698	LWZQCPOUQARKDT-UHFFFAOYSA-N	401.419	4.536	50	20	HJGD	
O=P(CCN1CC[C@@H](c2c(F)cccc2F)C1)(c1ccccc1)c1ccccc1	769229017	SUHWTMHJDMMMIT-LJQANCHMSA-N	411.432	4.768	50	20	HJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NNc1c(Cl)cccc1Cl	773699751	ZKDADRCJOMZNHP-UHFFFAOYSA-N	424.328	4.699	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H](c1cccc2ccccc12)C(F)(F)F	776008031	HDUIIFGBUNOLKD-QGZVFWFLSA-N	421.806	4.741	50	20	HJGD	
N#Cc1ccc(F)c(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777980112	YBWCTLOSUFGTRS-UHFFFAOYSA-N	416.368	4.833	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccccn1	780843887	KENCIGWDSFTRHI-JOCHJYFZSA-N	404.514	4.803	50	20	HJGD	
C[C@@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)[C@@H]1CCCN(C2CCC2)C1	781400045	CXJIXSSSRAAKEB-IFMALSPDSA-N	406.574	4.560	50	20	HJGD	
CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NNc3ncncc3Cl)c2C1	781818671	FMRBFSZIXQGIAA-ZDUSSCGKSA-N	409.921	4.586	50	20	HJGD	
Cc1nnc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)s1	781865405	JDGJSVRRPWUKFW-FBJMNJBLSA-N	410.474	4.605	50	20	HJGD	
C=CCCCCCC(C)=NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	788966193	RVOOVAGXSLQUEH-UHFFFAOYSA-N	416.525	4.687	50	20	HJGD	
C[C@H]1OCC[C@@]12CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CCO2	791866873	UPTGNVBNTPJLSC-IAQYHMDHSA-N	402.385	4.756	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(OCc3ccccc3)CC2)c(C)n1CC(C)C	797624086	ZVYGHOBBESVESK-BUVRLJJBSA-N	419.569	4.876	50	20	HJGD	
Cc1cc(NNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)nc(C)n1	798110901	SSZKJVIJGDARSS-UHFFFAOYSA-N	420.300	4.936	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)[C@H]1CCCC(F)(F)C1	800487581	FPJMRFPAEVAIGI-QMMMGPOBSA-N	401.173	4.737	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(Cl)nc1	802130421	QAMCBRWLBUUQPK-UHFFFAOYSA-N	422.784	4.511	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	806533128	ZTHMNBZDWUUMIG-IBGZPJMESA-N	424.913	4.659	50	20	HJGD	
CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	810437963	MNIIHWQRLLZFLI-GFCCVEGCSA-N	417.444	4.519	50	20	HJGD	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNc2cccc(Cl)n2)cc1	817006948	HFKGFNYAYGBFSQ-UHFFFAOYSA-N	420.900	4.968	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1C	819496479	CHUAKMFQLXVDFU-LICLKQGHSA-N	421.526	4.629	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2F)c(C)n1C[C@H]1CCCO1	875230929	LBUHTYFWBMCSHB-YZIPPPLESA-N	401.869	4.622	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccccc2F)C(C)C)c(C)n1C[C@H]1CCCO1	914501668	LBTTVGTZEKKRRF-CXSSSTRGSA-N	423.532	4.767	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3n2)ccc1O[C@@H](C)C(=O)N(C)C	917144452	LRDKAMAXWARALN-PNWWAVQQSA-N	415.493	4.553	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccccc2F)o1)c1ccc(F)cc1Br	917552380	GRAUNCWVQVIKFU-UHFFFAOYSA-N	405.198	4.751	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nnc(C(F)F)s2)c(C)n1C1CCCCC1	920228916	FRVNYUZZBVQJPE-ZROIWOOFSA-N	405.474	4.945	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	921261155	JAXDIGGEFIAHHT-ZROIWOOFSA-N	420.271	4.515	50	20	HJGD	
COc1ccc(C(=O)NN=C(CC(F)(F)F)c2ccc(Br)cc2)cc1	1318397732	PTBQDKJYKAEBLH-UHFFFAOYSA-N	415.209	4.544	50	20	HJGD	
CN1CCN(c2ccc(/C=C(\C#N)C(=O)c3cc4ccccc4s3)cc2F)CC1	1320949719	RSXGNSWHTLCYNV-LDADJPATSA-N	405.498	4.582	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)nc1C	1786011443	RGBQJGHMZJBEBU-UHFFFAOYSA-N	413.949	4.711	50	20	HJGD	
CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Br)CCC3)cc2)CC1	1789115498	UNYMOFLTINBFHP-PBHICJAKSA-N	423.326	4.557	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2C)CC1	1825780713	IJNUQDAJMHSIPG-QZTJIDSGSA-N	411.011	4.697	50	20	HJGD	
N#C/C(=C\c1ccccc1OCc1ccccn1)C(=O)Nc1ccc(F)c(Cl)c1	22504060	MCNOVNSCXUSWKJ-LFIBNONCSA-N	407.832	4.999	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2C)c1C	23974289	XAMZBOQYVNSUOC-ORTNRGLGSA-N	407.514	4.691	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	28911563	KEUKMJCSPAVIBM-WMRWHDLOSA-N	418.928	4.986	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2)cc1OC	213362227	RXVCZFWLUCWSDD-ZHZULCJRSA-N	414.461	4.828	50	20	HJGD	
Cc1cc(C)c(NC(=S)NNC(=O)c2c(Cl)cccc2Cl)c(Cl)c1	727783740	HDAMYUYFKPUBQT-UHFFFAOYSA-N	402.734	4.895	50	20	HJGD	
Cc1cc(C)c(C(=O)CCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)c(C)c1	727804684	NLEMDHFNEFYXNN-UHFFFAOYSA-N	421.324	4.733	50	20	HJGD	
CC(C)Oc1ccc(-c2nc(C(=O)NNc3ccc(F)c(F)c3F)cs2)cc1	728716129	VKXFHNODEJUHAT-UHFFFAOYSA-N	407.417	4.772	50	20	HJGD	
Cc1cc(C(=O)NNc2ccccc2S(C)(=O)=O)sc1-c1cccc(Cl)c1	732301833	JRBKFTPBTCCFLS-UHFFFAOYSA-N	420.943	4.537	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(CCC#N)Cc3cccnc3)c2C)cc1	741935735	CQJZCXAYFZOKFH-IWIPYMOSSA-N	423.520	4.647	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cccnc2Nc2ccccc2F)cc1C(F)(F)F	746894438	LAOJQXITFRSJBZ-UHFFFAOYSA-N	415.350	4.612	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(C)C)c(O)cc2C)c1C	748130252	UYWNBOIMTRVSKN-NAGKPISUSA-N	409.530	4.995	50	20	HJGD	
Cc1noc([C@H](OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c2ccccc2)n1	750873946	ZGOXPPDMGUATLO-UHSICZIDSA-N	418.497	4.692	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(-c2ccccc2)noc1C	753175491	KNIHYILKHULKNI-UHFFFAOYSA-N	400.276	4.732	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1	755756008	KQCZYQISYAUPBT-XZOQPEGZSA-N	412.493	4.689	50	20	HJGD	
Cc1ccc(Cn2cc(C(=O)NNc3cc(C)ccn3)c(-c3ccc(C)cc3)n2)cc1	755838548	PGUYFAWGACNNKQ-UHFFFAOYSA-N	411.509	4.676	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)ccc1Cl	759038019	NLTHEMJMGCXGLV-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2sc(C)nc2CC(C)C)c1C	760835690	HVYFKGDLGXRUOG-RPJLVFAOSA-N	414.575	4.821	50	20	HJGD	
CCC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)c1cc(-c2ccccc2)on1	766690739	JUWXWKUJBZQAPH-UHFFFAOYSA-N	410.455	4.538	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(SC(F)(F)F)cc2)cc1	767898493	PEZMRUHMBDNHKM-PTNGSMBKSA-N	419.428	4.546	50	20	HJGD	
Cc1cc(Br)cc2cc(C(=O)NNc3nccc4sccc34)oc12	768400198	GTSLGLLFRKAYSG-UHFFFAOYSA-N	402.273	4.870	50	20	HJGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)C(=O)Nc1nc(-c2ccncc2)cs1	768467864	UPUIHONFMDGSIH-NDENLUEZSA-N	409.474	4.813	50	20	HJGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc(Sc2ccc(Cl)cc2)cc1	773311551	MUEMVHNEJGXCLS-UHFFFAOYSA-N	414.943	4.518	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(Cl)c(Cl)cc3OC)c(C)cc2c1	778481065	VRZFUMQUMAGFGU-UHFFFAOYSA-N	406.269	4.624	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1	780737888	FSTVAQFOMJVNIN-UHFFFAOYSA-N	419.462	4.614	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)c1	780978789	YZCZIOXVJZNSFQ-UHFFFAOYSA-N	422.750	4.522	50	20	HJGD	
N#Cc1ccc(O)c(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782912929	KZYFTXZSCXBHSU-UHFFFAOYSA-N	400.350	4.722	50	20	HJGD	
COc1cccc(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782981793	DBWCFRILNRCPGM-UHFFFAOYSA-N	417.421	4.874	50	20	HJGD	
O=S(=O)(Nc1nnc(-c2cc3ccccc3o2)s1)c1ccc(CCCl)cc1	786885872	DNJYUMCCPWALAN-UHFFFAOYSA-N	419.915	4.533	50	20	HJGD	
COc1cc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)ccc1OC1CCCC1	787001351	NJWFYDPJCRHUNA-UEIJICEPSA-N	406.482	4.507	50	20	HJGD	
CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)/C(C#N)=C/c1ccc(O)cc1	787048535	HTLMLTODWLYVRS-LTGZKZEYSA-N	414.509	4.561	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccnc1OCc1ccccc1F	790807356	XCULZIRVEALINZ-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cc(F)c(F)cc2F)cnn1-c1ccccc1Cl	790808230	GYIFEJCALVOACP-UHFFFAOYSA-N	408.811	4.823	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1cccc2cnccc12	790902569	XVADBKKJEPAKKX-UHFFFAOYSA-N	406.486	4.658	50	20	HJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl	794870679	YKPQDXNUTYSJPT-BENRWUELSA-N	401.228	4.864	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)c(F)cc2Cl)c1C	808865502	TVBIFXGLCGNECO-XPGOGFAUSA-N	403.885	4.959	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1sc2ccccc2c1Br	810410522	ZSILJWJNHBKYCX-UHFFFAOYSA-N	401.207	4.838	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccc(Br)cc3F)cc2)n1	810681208	LNDUXNAPYKFCQW-UHFFFAOYSA-N	421.295	4.854	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CCC#N)Cc2ccccn2)c(C)n1C1CCCCC1	813440159	JPDPJMNVRZHGFJ-JWGURIENSA-N	415.541	4.855	50	20	HJGD	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1cccc(Cl)n1	817012011	UBRHXDPXHJASDP-LLVKDONJSA-N	423.325	4.808	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc3ccccc3c2)c1C	914482883	NEKKSWOCWWIUNW-VQXFCIMOSA-N	401.510	4.689	50	20	HJGD	
Cc1cc(C(N)=O)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	915178954	BCOVBLCMPUAMQZ-MOSHPQCFSA-N	404.514	4.563	50	20	HJGD	
O=C(NN=Cc1ccc(F)c(F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1	915905131	AFIRMBYFDKPTQR-UHFFFAOYSA-N	402.404	4.581	50	20	HJGD	
CCCc1ccc([C@@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C(C)C)cc1	916194638	ILLTZCHQISNIIC-QFIPXVFZSA-N	404.514	4.529	50	20	HJGD	
C[C@H](CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)CN1CCCC1	916677109	QXMVLEWAHNGQJM-IUODEOHRSA-N	409.905	4.759	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCCCC2)o1)S(=O)(=O)c1cc(Cl)ccc1Cl	917618299	DMPDDHBMMJVFMW-PTNGSMBKSA-N	411.310	4.915	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2-c2ccccc2)cc1	917619453	KTUZENHDDPXOEH-CPNJWEJPSA-N	414.461	4.925	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)c(-c2ccccc2)cc1OC	917623943	VTDGUKBHPKRABB-VXLYETTFSA-N	413.429	4.889	50	20	HJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1csc(COc2ccc(Cl)cc2)n1	918713111	KSMRMODCDBGPHR-UVYWSPJESA-N	415.946	4.977	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2(c3ccc(F)cc3)CCC2)c(C)n1C[C@H]1CCCO1	920351428	HQPNGEBLSYEXKV-QFXXMJIKSA-N	421.516	4.526	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)ccc1Cl	1321397053	FZABDBKPCVGQSZ-UHFFFAOYSA-N	424.860	4.983	50	20	HJGD	
O=C(/C=C/C1CCCC1)Nc1ccc(C2(NC(=O)[C@@H](F)Br)CCC2)cc1	1790515522	ONBXBNJAGGYALY-PMQIGOLDSA-N	423.326	4.557	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1	5177820	NXGXHXZNPAUJJB-AQRZYSDFSA-N	414.461	4.716	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC	16411143	VJZWBLJKMKZEIV-XNTDXEJSSA-N	415.287	4.792	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccccc1	16937707	VLDQBLMIIWMASL-DEDYPNTBSA-N	414.461	4.828	50	20	HJGD	
COc1cc(OC)c(OC)cc1/C=C(/C#N)c1nc(-c2ccc(C#N)cc2)cs1	141614726	ZRCSECDFLGQSOV-IUXPMGMMSA-N	403.463	4.772	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c(C)n1C1CCCCC1	261418416	XLQQPGPLBDDEIA-BWCLHNGZSA-N	405.546	4.646	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(Oc2ccccc2)cc1	725868947	GPFAUQCJEWGHOL-INIZCTEOSA-N	414.465	4.665	50	20	HJGD	
CN(C)C(=O)NNC(=O)c1sc2ccccc2c1CSc1ccccc1Cl	726530948	MAQYZPDEJPGGPI-UHFFFAOYSA-N	419.959	4.763	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1	727846766	XOQYJWAZWSYIIW-HSZRJFAPSA-N	421.928	4.783	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1C	730194644	SZSZPDUSPQPMMY-PDGQHHTCSA-N	423.517	4.642	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1c(C)nn(Cc2ccccc2Cl)c1C)c1ccccc1	731932323	HJTOXNSPJPSVCV-HXUWFJFHSA-N	408.933	4.846	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c1C	732541055	BYKUIDJSZJQFDY-FBJMNJBLSA-N	409.921	4.829	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1	733956969	HQPXHUCJSBSVKS-GHRIWEEISA-N	409.449	4.569	50	20	HJGD	
CCc1cc(NNC(=O)CC(c2ccccc2)c2ccccc2)nc(-c2ccccn2)n1	734357164	MACCXUMVOQBWQH-UHFFFAOYSA-N	423.520	4.766	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1cnccn1	734743774	KDLQRHIBPFEXJP-UHFFFAOYSA-N	419.535	4.533	50	20	HJGD	
CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	741102579	CXEAADZKLIPPQC-QFSBIZTOSA-N	422.900	4.929	50	20	HJGD	
CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NNC(=O)c2cccc3ccccc23)cc1	743541962	GYRFXILYPFIIEH-GOSISDBHSA-N	419.525	4.592	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNc1ccc(Cl)nc1	743815313	BKHVCXIJVVUYMS-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc(C3CCCC3)n2)c1C	746532836	BQBKYJAHQQYPBV-YBFXNURJSA-N	413.543	4.516	50	20	HJGD	
CC(C)Oc1ccc(-c2nc(C(=O)NNc3cc(F)c(F)c(F)c3)cs2)cc1	746704231	ZCGJBQJIXCQTAI-UHFFFAOYSA-N	407.417	4.772	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1csc(-c2ccc3c(c2)OCCO3)n1	748017821	WBUALQAHOJITBT-UHFFFAOYSA-N	422.293	4.645	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1NC(=O)OC(C)(C)C	748660827	BVDJJROUAXNFER-UHFFFAOYSA-N	407.417	4.700	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(Cl)ccc1OC(F)F	748695576	NDBAQICBWRFBGF-UHFFFAOYSA-N	410.726	4.639	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)s2)cc1	750891833	BBDCRHOMIOBEKY-LGMDPLHJSA-N	419.481	4.802	50	20	HJGD	
O=C(NN=Cc1ccc(OC(F)F)c(F)c1)c1ccc(Br)cc1Cl	754705113	NLTWBKHCLVDTSE-UHFFFAOYSA-N	421.600	4.607	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1csc(-c2c(F)cccc2F)n1	761585482	XFVCNJUGSOQLJS-UHFFFAOYSA-N	415.343	4.744	50	20	HJGD	
O=C(Cn1nnc(-c2ccccc2)n1)Nc1cccc(S(F)(F)(F)(F)F)c1	762519369	YXSHOKFVFKKLLB-UHFFFAOYSA-N	405.352	4.636	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1cc2ccccc2n1Cc1ccccc1F	766670397	OOOJRIZFUQNSQU-UHFFFAOYSA-N	417.469	4.590	50	20	HJGD	
N#C/C(=C\c1c(-c2ccccc2)nc2sccn12)C(=O)c1cccc2c1OCCO2	771521561	SYNKNGPWNYEMFU-DTQAZKPQSA-N	413.458	4.624	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1cccc(COCC(F)(F)C(F)F)c1	775526063	ZOIHLBXUBUELRA-UHFFFAOYSA-N	405.779	4.906	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	776616702	QWSYZHLETSLRNX-YSSBIZNGSA-N	407.473	4.729	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NNc1ccc2ccccc2n1	777464769	BUOUFIQDLPUXTA-UHFFFAOYSA-N	405.889	4.507	50	20	HJGD	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	778035394	OXLRIWANMDRUMO-NSHDSACASA-N	421.375	4.833	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cccc(Oc4nccs4)c3)c(C)cc2c1	778476167	DIPUQRYLERZYMY-UHFFFAOYSA-N	406.467	4.558	50	20	HJGD	
CN1/C(=C(\C#N)C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)Nc2ccccc21	782237694	HCQWXGUFBHISDA-XMHGGMMESA-N	414.412	4.535	50	20	HJGD	
CCOc1ccc(-c2nc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)sc2C)cc1	786755361	QOBUIDVFPPZDRL-ATVHPVEESA-N	405.479	4.769	50	20	HJGD	
N#C/C(=C/c1cnc(-c2ccc(Cl)cc2)s1)C(=O)Nc1ccc2c(c1)OCCO2	789130503	OVIOYKZNHNOSHD-ZROIWOOFSA-N	423.881	4.780	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccc(Br)cn1	793399167	VPBJWSKJRZZUIC-QMMMGPOBSA-N	404.095	4.538	50	20	HJGD	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1nc(C)cc(C)n1	797704126	RHKZMIOSXKNMLV-UHFFFAOYSA-N	420.300	4.765	50	20	HJGD	
CCc1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)c2c(CC(C)(C)C)noc2n1	800539732	LIUAULASAPTJBY-UHFFFAOYSA-N	421.423	4.545	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(\C#N)S(=O)(=O)c3cc(Cl)ccc3Cl)s2)cn1	800791434	ONTIPWYGZLAHJM-VGOFMYFVSA-N	424.334	4.794	50	20	HJGD	
C[C@@H](CO)N(CC1CCC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	800940978	TZPAUOAJXPIAPV-NSHDSACASA-N	409.442	4.516	50	20	HJGD	
O=S(=O)(N[C@H](C1CC1)C(F)(F)F)c1ccc(S(F)(F)(F)(F)F)cc1	808329054	XOOQDQCLKONLKK-SNVBAGLBSA-N	405.332	4.963	50	20	HJGD	
CC1(C)CCCc2sc(NC(=O)C(=O)NN(c3ccccc3)c3ccccc3)nc21	810391017	QKZHNKLZLFELRE-UHFFFAOYSA-N	420.538	4.565	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)c1	812245055	MLMZBVWBQZYPSN-MHWRWJLKSA-N	403.442	4.681	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)c1	812245056	MLMZBVWBQZYPSN-YBEGLDIGSA-N	403.442	4.681	50	20	HJGD	
COc1ccccc1SCC(=O)NN=C1CC(c2ccc(Br)cc2)C1	814889831	TUEHCYXZOITYRW-UHFFFAOYSA-N	419.344	4.600	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1Cl)[C@H]1OCCc2sccc21	815855999	QNOWMSLDKUDCTJ-RFAUZJTJSA-N	415.740	4.557	50	20	HJGD	
COc1ccc(NNC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c(C(F)(F)F)c1	816703316	YZNCCNWUYFMBEH-UHFFFAOYSA-N	419.403	4.753	50	20	HJGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)s1	844239778	OAPUXCKRZPWFGB-CJAAZZPWSA-N	406.301	4.663	50	20	HJGD	
CCNC(=O)c1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1	882387200	YJEZJEIWCBECCJ-KGENOOAVSA-N	418.541	4.906	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc3ccccc23)c(C)n1C[C@H]1CCCO1	914478389	KYLXSMZIANUZOS-AKKXDVJXSA-N	413.521	4.661	50	20	HJGD	
CCN(Cc1cccc(Cl)c1)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	914501684	LPAZZBKSUCUPQU-RHLNUJDMSA-N	413.949	4.921	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1O	915844693	ADYQANQXSWMPIX-DHDCSXOGSA-N	423.266	4.862	50	20	HJGD	
COc1cccc(-c2nc(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)cs2)c1	916152659	ASGYORNPDQHSFF-VCHYOVAHSA-N	416.911	4.810	50	20	HJGD	
CSc1ncc(C(=O)NNc2ccnc3cc(Cl)ccc23)n1-c1ccccc1	917360548	ZXGYSKVBQIYTEU-UHFFFAOYSA-N	409.902	4.553	50	20	HJGD	
Cn1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c(-c2cc3ccccc3o2)n1	920065424	XJVWLUAINVBWAL-VCHYOVAHSA-N	423.881	4.825	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)CCc3ccccc3)cc2)cc1	934150834	YSXXQVOLNYTKAP-UHFFFAOYSA-N	422.550	4.719	50	20	HJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1cncc(Br)c1	1319761626	IVDAXQAHRNANPV-UHFFFAOYSA-N	418.316	4.728	50	20	HJGD	
Cc1cc(F)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824015256	WHOKMPQMUYRDDJ-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(-c3cccc(C)c3)o2)c1C	7541967	KVPABGWPIVDCII-UDWIEESQSA-N	404.470	4.524	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1(c2cccc(F)c2)CCOCC1	57180026	SUNGRPVHILUIQN-UHFFFAOYSA-N	417.695	4.977	50	20	HJGD	
COc1ccc(-c2n[nH]cc2C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	97024436	VLTPNYCPTIXHNB-UHFFFAOYSA-N	411.676	4.802	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2ccc(F)cc2)nn1-c1c(Cl)cccc1Cl	728858899	BBGYZHCZODWGDE-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
Cc1ccc(-n2c(NNC(=O)c3cc4ccccc4o3)nc3ccccc3c2=O)c(C)c1	733264596	BCIIHUBGXQRRMP-UHFFFAOYSA-N	424.460	4.506	50	20	HJGD	
CCOc1ccc(CCC2CCN(C(=O)c3c(C)nn(CCCl)c3C)CC2)cc1	733873896	GXONSBIXZITJBE-UHFFFAOYSA-N	417.981	4.622	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)o1	735038535	XYSGRUVUIOQJBK-UHFFFAOYSA-N	421.844	4.744	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC(F)(F)F)c1C	741988306	KIPBPGANAFQDQJ-GDXCHIGESA-N	419.447	4.963	50	20	HJGD	
CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NNC(=O)Nc1ccc(C)cc1Cl	743613380	AQCZJJTZMMVSEF-HNNXBMFYSA-N	409.317	4.659	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1ccccc1-c1ncc(-c2ccccc2F)o1	743819300	JOKLRTNDHZOQIO-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
O=C(COc1ccc(C2SCCCS2)cc1)NNc1cccc2cnccc12	748773717	YWUPYLWMWVXZPQ-UHFFFAOYSA-N	411.552	4.626	50	20	HJGD	
CCN(C)C[C@@H]1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	749225640	NVPFKMWMYZRIHQ-WFASDCNBSA-N	409.905	4.711	50	20	HJGD	
COc1ccc2[nH]cc(C3=CCN(/C(=C/C#N)c4cccc([N+](=O)[O-])c4)CC3)c2c1	750040433	XBVWHJFBQLVXHZ-HCGXMYGOSA-N	400.438	4.738	50	20	HJGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1	750329689	ZWVNOXDQNCRUSX-DEOSSOPVSA-N	415.537	4.714	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2cc(F)cc(F)c2)c1C	755398594	JTEVJFFOWGQGKO-IRZNGTEDSA-N	402.441	4.802	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)Nc1cccc(CSc2ccccn2)c1	756301726	XXMWMTMBUGAZAQ-UHFFFAOYSA-N	420.538	4.550	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H](c1cccc(F)c1)c1ccccn1	766290649	XPVHMTQMZWJDAI-GOSISDBHSA-N	422.357	4.794	50	20	HJGD	
O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1cccc(Cl)c1	774321898	DLMLOVJWNVBYGB-UHFFFAOYSA-N	423.243	4.566	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cc(F)ccc1SCC(F)F	775636634	NQJSLQZJAPXZFS-UHFFFAOYSA-N	410.343	4.745	50	20	HJGD	
CCC(CC)[C@@H]1C[C@H](NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CCO1	778756062	JGMNDBWFZVHAOC-YADHBBJMSA-N	424.545	4.673	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1c[nH]c2ccc(Br)cc12	779209319	KJHBBNIVFQQWJC-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@H]1CCc2ccc(-c3ccccc3)cc21	779690548	WHSSWKCWDURKSM-DEOSSOPVSA-N	422.488	4.533	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1	780809191	OZHXPUZWZLDKOX-UHFFFAOYSA-N	411.380	4.590	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)c1cccc(C(F)(F)F)c1	782369607	MXOOYMBANMKWSH-NSIKDUERSA-N	411.339	4.614	50	20	HJGD	
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782907147	JINZJTMAWSYMBX-UHFFFAOYSA-N	417.377	4.931	50	20	HJGD	
O=C(NNc1ccccc1Cl)C(=O)Nc1cccc(CSC2CCCC2)c1	784770469	JTNPZOUZAUWJJT-UHFFFAOYSA-N	403.935	4.598	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1	787576580	GUQNNNKXWYSETK-UKTHLTGXSA-N	406.791	4.777	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cc(-c2ccccc2)nc2cc(F)ccc12	791071209	ZDMRVZDHIHHVMQ-UHFFFAOYSA-N	420.375	4.845	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)c1	799718666	JETCTDVRZGSIMI-UHFFFAOYSA-N	404.253	4.532	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cc(O)ccc1Cl	810375222	VTKXCKNFQIUKFF-UHFFFAOYSA-N	409.589	4.584	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cc(C(C)C)nn1-c1ccccc1	813048989	SLMXADDJZIIYTO-UHFFFAOYSA-N	419.529	4.509	50	20	HJGD	
CC(C)(C(=O)NNc1cccc(Cl)n1)c1csc(-c2cc(F)ccc2F)n1	817008668	CBOOAVUVDPWBNH-UHFFFAOYSA-N	408.861	4.558	50	20	HJGD	
CCCOc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(CCC)c2C)cc1OC	914844623	QVQQWURHDYYZLU-STZFKDTASA-N	409.530	4.536	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(F)c2)c(C)n1C[C@@H]1CCCO1	915735676	NUUREYUUMVJFMF-WBNHJWIASA-N	401.869	4.622	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)c1C	915869090	RHPCSOAHMGWNNU-BRLDDBHUSA-N	409.530	4.625	50	20	HJGD	
N#Cc1cccc(COc2cccc(C=NNC(=O)c3cc(-c4ccccc4)on3)c2)c1	915957967	FUHIFCCJHHWJPV-UHFFFAOYSA-N	422.444	4.556	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2cccc3ccccc23)cc(OCC)c1OCC	916288788	GCFOLHVETXQQRR-UHFFFAOYSA-N	406.482	4.800	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c(OC)c1	916307198	WEZQNNUWJILBBY-UHFFFAOYSA-N	424.884	4.700	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Oc2ccc(F)cc2)cc1	917214365	OAVHPJZJSDOSMN-UHFFFAOYSA-N	401.781	4.937	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](N3CCCC3)C2)c(C)n1C1CCCCC1	918695941	HRGWASHVSZRXAB-GOOXQAOHSA-N	408.590	4.604	50	20	HJGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)c1nc(O)c2c3c(sc2n1)CCCC3	920754837	DTSKUTHIHPYRLW-YRNVUSSQSA-N	407.886	4.641	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1	1324728807	OHQUXSYBSFNELZ-UHFFFAOYSA-N	417.444	4.818	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1	1786447016	MLVRZDOWKFCULG-FQEVSTJZSA-N	409.917	4.713	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cc2ccccc2o1	1789004659	LANIHWQOPAOYJR-SFHVURJKSA-N	400.837	4.715	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)cc3OC)cc2)CCC1	1792100715	ZNPCKYXYGWTFHN-IBGZPJMESA-N	414.933	4.769	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(F)c2)CC1	1824615627	OSGNMZUBTRFSAY-SFTDATJTSA-N	422.972	4.775	50	20	HJGD	
CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@](C)(Cl)CCl)CC1	1830257242	KZSKSUMQAZCFHP-NQIIRXRSSA-N	417.421	4.589	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)c2ccccc2F)cc1OC	8201876	RUOSZGPQMSLWRJ-MDWZMJQESA-N	404.235	4.785	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1nnc2n1CCCCC2	32752574	PHONUYNIQHVVHV-QGOAFFKASA-N	417.900	4.974	50	20	HJGD	
N#C/C(=C\c1ccccc1-n1cncn1)C(=O)Nc1ccc(Oc2ccccc2)cc1	726741013	AJQFEFCPPYDODG-XMHGGMMESA-N	407.433	4.605	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@@H](N2CCCC2)C1	727222291	BJTPDALQXDMTHC-DOMZBBRYSA-N	407.889	4.608	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CCSC)cc2)c1C	727670363	UDZGSFKCZIBZRF-RSZPVBOMSA-N	411.571	4.764	50	20	HJGD	
Cc1sc(-c2ccco2)nc1C(=O)NNc1ccc(Br)cc1Cl	729276580	HKAVZTRWAHZNNT-UHFFFAOYSA-N	412.696	4.884	50	20	HJGD	
CC(C)n1c(S)nnc1[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	732164834	ARIIULIUAUOHLU-CABCVRRESA-N	414.666	4.568	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3C#N)c2)cc1	734305670	ZRVFXCKIZPUXIQ-CFRMEGHHSA-N	407.473	4.669	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)C2CCOCC2)c(C)n1CC(C)C	734350347	MPQDRIYVJSVESZ-JIOFHBDDSA-N	419.569	4.952	50	20	HJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3ccc(Br)cc3)c2)cc1	738507684	UAVQEMODLPONRV-UHFFFAOYSA-N	407.271	4.821	50	20	HJGD	
CCC(=NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)[C@H]1CCOC1	741837845	ORCPJMUKDPCWSR-SFHVURJKSA-N	400.906	4.760	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@@H]1C[C@@H]1c1cccc(Cl)c1	741980530	XNHHFAQFJKNXEI-VXGBXAGGSA-N	401.638	4.628	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)NC(c1cccs1)c1cccs1	743625107	PDXWYUMGWZZIDD-UHFFFAOYSA-N	407.520	4.696	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](C)c2cc3ccccc3s2)c(Cl)c1	745811352	WVRSYMLTHBAWAG-LBPRGKRZSA-N	402.907	4.960	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Oc2ccccc2Cl)nc1	746588626	PMQJEJABTSHONO-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1OCCCC#N	747361218	HNZOJIZYDFYIRT-MHWRWJLKSA-N	403.413	4.788	50	20	HJGD	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NNC(=O)c1cccc2cccnc12	747463238	BATJMKXTSHLIEQ-LBPRGKRZSA-N	417.296	4.589	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1oc(C(C)C)nc1C#N	748702783	DDZMVAABUITESK-UHFFFAOYSA-N	406.442	4.618	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn(CC(C)C)c1C(F)F	753184444	HNLLUEHRIOCBPS-UHFFFAOYSA-N	415.282	4.559	50	20	HJGD	
O=C(Cc1c[nH]c2cccc(Br)c12)NNc1ccc(C(F)(F)F)cc1	754084990	QOZZKNYCXZKPDY-UHFFFAOYSA-N	412.209	4.635	50	20	HJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c1	764264464	SXARTYSLFZQOHC-UHFFFAOYSA-N	412.209	4.713	50	20	HJGD	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)NN=C1CCCC1	764761141	KIZABTJPSOJSCX-UHFFFAOYSA-N	412.993	4.622	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)NNc3ccc(F)c(F)c3F)ccc21	769995056	ZRQFWJXFGZNDMP-UHFFFAOYSA-N	422.407	4.550	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1cccc(-c2c(F)cccc2F)c1	771532145	JRFFLRNYQWHZLW-UHFFFAOYSA-N	404.214	4.546	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1	771692938	NYXDBBIKKGQLJM-UHFFFAOYSA-N	415.515	4.683	50	20	HJGD	
Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)NNc1cccc(Cl)c1C	773771519	STYFBLOGEXGPRQ-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)OCc2nc(-c3ccccc3Cl)cs2)cc(C#N)n1C	774958494	URRIIEAYFQMYFX-VIZOYTHASA-N	422.897	4.632	50	20	HJGD	
Cc1cc(Br)c2oc(C(=O)NNc3ncc(Cl)cc3Cl)cc2c1	775273071	FBAGKDKECBYRME-UHFFFAOYSA-N	415.074	4.962	50	20	HJGD	
C=CCCC[C@@H](C)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	776016292	MRQQJFXFWULPJP-SQFNAUOLSA-N	421.932	4.885	50	20	HJGD	
Cc1ccccc1[C@H](O)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777966329	BTUWPGZULAOHBO-OAHLLOKOSA-N	417.421	4.664	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccccc1NC(=O)Cc1cccs1	781085017	INAJSVXPIXGZKQ-MRXNPFEDSA-N	409.349	4.677	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(\C#N)C(=O)c3cc4ccccc4o3)cnc12	783700188	QBBAHYPWFCEERA-VGOFMYFVSA-N	406.239	4.941	50	20	HJGD	
C[C@@H]1OCC[C@@]12CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CCO2	791866878	UPTGNVBNTPJLSC-XHDPSFHLSA-N	402.385	4.756	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1C	813218842	UBOBNFZQVUYVND-QJKHOBJASA-N	400.404	4.712	50	20	HJGD	
CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)c1ccc(Br)s1	814759896	RTUXLCQGPFPAMM-UKRRQHHQSA-N	407.333	4.579	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CCC#N)c(C)n1-c1cccc(Cl)c1Cl	843418687	WTOCNIQDUSMXQS-WJDWOHSUSA-N	401.297	4.680	50	20	HJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)Nc3nc4ccccc4nc3Cl)oc12	915851853	DIHZERMGWDYPPW-JLHYYAGUSA-N	404.813	4.584	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)CCCCc2ccccc2)c1C	916484992	LDELQEMTTNJALK-RNLRLKOUSA-N	407.558	4.701	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cc(Br)c4c(c3)OCCO4)n2)cc1	917518961	HFVZZYKCJIRSJH-NVNXTCNLSA-N	424.254	4.643	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCOc3ccccc3)cc2)CCC1	1787676310	OSDIYTYSDWPARQ-FQEVSTJZSA-N	414.933	4.607	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@]3(F)CCCCC3(F)F)cc2)CCC1)[C@@H](F)Cl	1789164070	ICGXRWOHGFYRDF-RDTXWAMCSA-N	420.834	4.573	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCC=C3F)CCC2)cc1	1790488607	YTXGRSCLPRXFFT-KKSFZXQISA-N	410.892	4.884	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826366289	SUUWDVZRXYVSNU-FCHUYYIVSA-N	419.009	4.646	50	20	HJGD	
Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)oc2ccccc12	1828125724	WKVFVXACROLBSI-XLIONFOSSA-N	420.912	4.509	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830346182	AAMBPVRBJGMSHA-CFGKVWFZSA-N	409.014	4.618	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1	11293340	UCYRBQXGPAPHTK-WYMLVPIESA-N	405.435	4.878	50	20	HJGD	
COc1ccc2[nH]cc(C3CCN(/C(=C\C#N)c4cccc([N+](=O)[O-])c4)CC3)c2c1	104240325	SPNUHGGSQNXPQO-FINSYCMTSA-N	402.454	4.829	50	20	HJGD	
C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)/C(C#N)=C1\Nc2ccccc2S1	104595802	REUKVZUSMDHDFR-SYPKWCCASA-N	410.520	4.851	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@@H](c1ccccc1)[C@H]1CCCO1	726711707	IMUQKCLMYOQCOF-KGLIPLIRSA-N	415.708	4.588	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2cc(C3CC3)nc3ccccc23)cc1	727497369	OIJWJJKYRQNOOQ-UHFFFAOYSA-N	420.538	4.531	50	20	HJGD	
O=C(Nc1ccc(OS(=O)(=O)c2ccc(CCCl)cc2)cc1)c1ccsc1	728936026	KUQSUPAFIASUNP-UHFFFAOYSA-N	421.927	4.549	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1cc2oc3ccccc3c2cc1OC)c1ccccc1	732233112	OBYGEEHNESVYMW-INIZCTEOSA-N	417.465	4.941	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1ccccc1SCc1cccs1	732837601	MWQUOSQXZDQCQZ-UHFFFAOYSA-N	420.357	4.955	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(NC(=O)NCC)c2)c1C	742417110	IOSOWOLVWWBBMQ-CPNJWEJPSA-N	407.518	4.592	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)c2cccc(C)c2)c1C	745100281	RNTWWWPESQSZEW-MEGCXXLRSA-N	407.558	4.622	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(C)c3cnn(C(C)C)c3)cc2)cc1	746679804	VQJLJGUHQJZILU-UHFFFAOYSA-N	420.513	4.596	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1csc(COc2ccc(F)cc2)n1	747609540	ZWCYGZDDQBTEHW-UHFFFAOYSA-N	411.380	4.637	50	20	HJGD	
O=C(CCc1cc(Br)cs1)NNc1ccc(OCC(F)(F)F)cc1	748702198	PHVPWYRISLGFFZ-UHFFFAOYSA-N	423.254	4.528	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H](CCO)C1CCOCC1	752986027	XRZPUSKIEPRKIM-CQSZACIVSA-N	404.401	4.643	50	20	HJGD	
C/C(=C\C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1OC(F)F	753341782	LISGFEMZXQAAKO-DHZHZOJOSA-N	411.330	4.725	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cc(C)ccc1OC(F)F	756784133	QLXMDCFHCIHPNA-DHDCSXOGSA-N	402.397	4.508	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)ccc1OC1CCCC1	761580597	DAMFUWXOMNMUHQ-UHFFFAOYSA-N	410.392	4.672	50	20	HJGD	
CCOc1cccc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762636624	XFOBVRCWNAYURI-UHFFFAOYSA-N	424.391	4.998	50	20	HJGD	
COc1ccccc1CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762642102	RCVLAAJWAJQXEY-UHFFFAOYSA-N	410.364	4.608	50	20	HJGD	
CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(OCCBr)c(Cl)c2)c1	763110212	ZRNQRNLOFAUOBF-ALCCZGGFSA-N	422.706	4.968	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(Oc2cccc(Cl)c2Cl)nc1	768503402	JSDLNYNBBXYWHE-UHFFFAOYSA-N	414.252	4.814	50	20	HJGD	
Cc1cc(NNC(=O)c2ccccc2C(=O)c2cccs2)ccc1Br	769679115	HHVBNZQSWBRWAX-UHFFFAOYSA-N	415.312	4.807	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(Cl)cc2C(F)(F)F)c1C	771736153	XWNBORVDEMWPBV-UHFFFAOYSA-N	421.810	4.585	50	20	HJGD	
Cc1ccc(CO)cc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782911943	CJNHOMDUUKQWBT-UHFFFAOYSA-N	403.394	4.946	50	20	HJGD	
CCC1(CO)CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782987102	HPJNHSAPEFHIMU-UHFFFAOYSA-N	409.442	4.517	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1OC	787145410	QJAAUMQTQTYYQL-ZBQKXELDSA-N	405.281	4.795	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1csc(-c2ccc(OC)cc2)n1)c1ccccc1	787145445	RBSGYDKCGHTUPV-UHWDDTASSA-N	403.507	4.993	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccnc(Oc2ccc(F)cc2F)c1	790000846	LCZBBZINSXXBJC-UHFFFAOYSA-N	407.323	4.510	50	20	HJGD	
Cc1ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)c(-c2cnn(C)c2)c1	802703671	CKKJTXNKEGEUQG-UHFFFAOYSA-N	424.504	4.592	50	20	HJGD	
Cc1ccc(-c2nnc(-c3ccc(C(=O)NNc4cccc(Cl)n4)cc3)o2)cc1	817007000	IVWHUKDXBNMECV-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)c(NC(N)=O)c2)c(C)n1C1CCCCC1	817213561	QYXJYPRNWLPQHT-BOPFTXTBSA-N	423.492	4.786	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	857706205	XBHRIYVUZLGELW-XUKJQLKWSA-N	405.542	4.954	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1	914856712	CDWHZGGDCFDZAK-INIZCTEOSA-N	420.340	4.606	50	20	HJGD	
CC[C@H](CNC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccccc1	917541060	LJSOMBSDTLBOLP-QLMJLBGQSA-N	405.542	4.501	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC(c2c[nH]c3ccccc23)CC1	917868167	KGDAKECCQLHVMA-UHFFFAOYSA-N	402.947	4.518	50	20	HJGD	
O=C(NNC(=O)c1ccccc1)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	918004654	JKSCWKKDGWDEQS-IBGZPJMESA-N	414.292	4.727	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCc3c(Cl)cccc32)c1C	919873353	OIGGGTZAOJGVTA-TUBYOHQXSA-N	411.933	4.676	50	20	HJGD	
CCC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccc(Oc2ccccc2)cc1	921256765	XKPDWASSQCYXJV-UHFFFAOYSA-N	412.449	4.672	50	20	HJGD	
CCCN(Cc1nc(O)c2sccc2n1)C(=O)CCCC[C@@H]1CCSS1	1317779221	FWYPFPDTKTULHB-CYBMUJFWSA-N	411.618	4.850	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nccc4[nH]ccc34)CCC2)cc1	1786444908	YMXQWCOHHANIRN-SFHVURJKSA-N	424.932	4.718	50	20	HJGD	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)c1	1788588409	PCHWWQBSHZNPHQ-KUHUBIRLSA-N	413.880	4.596	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2C)CC1	1830309848	MFLHBYFJHGUWFB-RTWAWAEBSA-N	404.982	4.554	50	20	HJGD	
CC(C)[C@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1nc(C2CC2)no1	727943893	UGVXNEOCAOGQJT-FQEVSTJZSA-N	405.502	4.565	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(/C#N)C(=O)c3ccccc3F)cc2)oc1C(=O)O	729937215	OGCVWCCUDSOUQY-WJDWOHSUSA-N	405.381	4.794	50	20	HJGD	
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	731134248	LDNNZAJMPQMYJX-GLKRBJQHSA-N	408.873	4.539	50	20	HJGD	
COc1ccccc1C(=O)NN=Cc1sc(Nc2ccccc2Cl)nc1Cl	731487869	HIGJXNNYEOQYPK-UHFFFAOYSA-N	421.309	4.966	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(N(C)C(C)C)c2)c1C	731585091	MZGUYFLNNXDHEA-AGKWGAAGSA-N	408.546	4.703	50	20	HJGD	
Cc1nc([C@@H]2CCCCN2C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)no1	737616057	RHCKBAKITYTSHY-FGGAIWKESA-N	421.545	4.962	50	20	HJGD	
CCc1cnc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)s1	742805086	OTTHPJRHWGXNOF-ODLFYWEKSA-N	404.539	4.645	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)CCCC3CCCC3)cc2)cc1	743301196	VYPCBZVDZZOTFR-UHFFFAOYSA-N	400.544	4.631	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1ccccc1C(F)(F)F	743310936	FGMPUXOEPNVXPQ-HNNXBMFYSA-N	414.427	4.742	50	20	HJGD	
C[C@H](c1ccco1)N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	747000772	SBDNMAHHLQJJRB-QLJPJBMISA-N	420.840	4.657	50	20	HJGD	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1)O[C@H](C)C2	747598967	LSVFHZACCNXNDD-PZPSRYQVSA-N	420.431	4.674	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cccc(Oc2ccncc2)c1	748703632	NJOHTPIKLWJEDY-UHFFFAOYSA-N	403.360	4.572	50	20	HJGD	
CCOC(=O)Cn1ccc2cc(NC(=O)CCCC[C@@H]3CCSS3)ccc21	748733818	VUTHXHXXOSDXTB-QGZVFWFLSA-N	406.573	4.857	50	20	HJGD	
Cc1cnc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)o1	750075175	UIPCBCQTFVIVFX-MTJSOVHGSA-N	410.477	4.767	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1	752407704	KQPJTVCBKVWPLW-CHLKZYANSA-N	410.514	4.953	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2Cl)cnn1-c1cc(F)c(OC)cc1F	752631691	GLYZHNPOPGQRKG-UHFFFAOYSA-N	420.847	4.522	50	20	HJGD	
CCCn1nc(C)c(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1C	755465113	DVUQCHPLWZHZKU-UHFFFAOYSA-N	411.333	4.526	50	20	HJGD	
Cc1csc(-c2ccc(NC(=O)NNC(=O)c3ccc4ccccc4c3)cc2)n1	756300245	QVOORBRRIKLTRW-UHFFFAOYSA-N	402.479	4.738	50	20	HJGD	
CSc1cc(C)ccc1CNC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	756997125	NBIXJOBNIXRNHC-ATEMXAKRSA-N	423.582	4.538	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCC[C@@H]3C)s2)cc1	764763794	SAYHHSMQPLKVPY-ZDUSSCGKSA-N	406.602	4.523	50	20	HJGD	
CC(C)(c1ccccc1)c1nnc(NC(=O)NNc2ccc3ccccc3n2)s1	775607537	JYCJUOKLZDAGBV-UHFFFAOYSA-N	404.499	4.561	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC([C@H]2CCOC2)CC1	778064131	UCBRSAMVEFREOL-ZDUSSCGKSA-N	421.453	4.781	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1F)c1nc(O)c2cc(Br)ccc2n1	782196650	GKXBZIJAQWTOKO-BJMVGYQFSA-N	404.626	4.955	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccco3)o2)c(C)n1C1CCCCC1	786405878	FAWXGLOXBSIZIF-LDADJPATSA-N	420.469	4.904	50	20	HJGD	
COCCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	786671285	XKCGOIAYZUVQNS-QNGOZBTKSA-N	417.484	4.968	50	20	HJGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl	786678895	HZSXNJKEKLPZLY-FPYGCLRLSA-N	408.068	4.642	50	20	HJGD	
COc1cc(NNC(=O)CSc2nc(C)nc3sc(C)c(C)c23)ccc1Cl	790167625	CGYZUXIWXVPECS-UHFFFAOYSA-N	422.963	4.514	50	20	HJGD	
CN(C)c1cc(F)c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-]	791292743	QXCQZAQCJZBUGW-UHFFFAOYSA-N	421.643	4.517	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ncccc1Oc1ccccc1	799706362	CRFKSZDXEKDCGC-UHFFFAOYSA-N	403.360	4.572	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc(-c3ccccn3)cs2)c(C)n1CC(C)C	800341377	PBBIWCKKHZMGAA-VXLYETTFSA-N	420.538	4.930	50	20	HJGD	
CO[C@@H](C)c1nsc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)n1	800991019	WWDKKRQJJXQNCX-GYKGCMEESA-N	421.526	4.507	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	801647560	FYHDFXDTJIZIGZ-OQLLNIDSSA-N	401.857	4.809	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@H](C)Cc2cncc3ccccc23)cc1	805152314	RKQDHSOZGAVLJX-QGZVFWFLSA-N	420.582	4.774	50	20	HJGD	
O=C(Nc1cccc(CNCc2ccc(OCCCCl)cc2)c1)c1ccncc1	811474899	DWQXFJKVAVNFOE-UHFFFAOYSA-N	409.917	4.631	50	20	HJGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C	817014643	RFRQURGMQKUMSZ-ZANVPECISA-N	410.358	4.809	50	20	HJGD	
O=C(NNc1ncc(F)cc1F)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1	857533442	ZBKQOJGQOTTWJM-UHFFFAOYSA-N	415.343	4.744	50	20	HJGD	
Cc1nc(N)sc1C(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	874109606	HRVIXOLAUSNDAY-UHFFFAOYSA-N	422.341	4.512	50	20	HJGD	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(OC)c1	916138090	LSVWMUGGSCTSAP-XYOKQWHBSA-N	420.437	4.573	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OC[C@@H]2CCOC2)c(C)n1-c1cccc(C(F)(F)F)c1	918946815	YGAVMWDDXBFHJR-BZMUBCNJSA-N	418.415	4.600	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1	918976708	MSEBNTIGGHVVGC-NHDPSOOVSA-N	409.441	4.599	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1OC(F)F	920833225	CXTBDZDTVFIETH-YBEGLDIGSA-N	415.396	4.867	50	20	HJGD	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OCC(F)(F)F	921262654	WLFSUAUEHSDKEJ-MLPAPPSSSA-N	423.303	4.517	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2Cl)c(C)n1Cc1ccco1	1330174651	NYRPMBGRBBBCMQ-UHFFFAOYSA-N	422.710	4.919	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)ccc3F)CCC2)cc1	1786012765	RECBVTDIDOWMKA-UHFFFAOYSA-N	418.896	4.544	50	20	HJGD	
CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1)N(CC)CC	1786447754	PKUGNGVFGGRBBI-IBGZPJMESA-N	422.013	4.506	50	20	HJGD	
O=C(CCBr)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1	1787672418	OAJFCHYNIXEYIX-UHFFFAOYSA-N	421.379	4.876	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccccc1C1CC1	1788588283	LGARULJILGZAAV-LJQANCHMSA-N	400.881	4.846	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](OC)c3ccccc3)CCC2)cc1	1790485956	OZMAFQKUGAIAGF-VQTJNVASSA-N	414.933	4.526	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3cccnc3)cc2)CCC1	1791852957	ZYUKUAQPLMUUPT-VISDOYDDSA-N	411.933	4.636	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)cccc2F)n[nH]1	1823122306	OLAPOPJRUINKCC-RHSMWYFYSA-N	420.916	4.571	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1	1824009995	COSMQACRTLXRHW-VQTJNVASSA-N	422.972	4.582	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1	1827072401	KHIOSNFINYXIIC-SGQUHAKNSA-N	423.022	4.646	50	20	HJGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	14894753	IXQJWFXSDJDJRF-UHFFFAOYSA-N	407.992	4.540	50	20	HJGD	
COc1cc(C(=O)NNc2ccccc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	195605138	XJNALTWJVSJRKE-UHFFFAOYSA-N	413.817	4.806	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc3c2OCCO3)c(C)n1C1CCCCC1	727854784	KDLDEYVGHJXBNW-STZFKDTASA-N	419.525	4.605	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(c2nc3ccccc3s2)C1	728716835	VTGGJVPDCXKUCJ-CYBMUJFWSA-N	420.460	4.675	50	20	HJGD	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1)O[C@@H](C)C2	730588409	XZWVRZXMBCLUHV-ULFGMLNVSA-N	420.431	4.674	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(N(C)C(C)C)c2)c(C)n1C[C@H]1CCCO1	731585985	VHFUIWSMHBUDDY-QYAMMSNYSA-N	420.557	4.674	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)C1(c2ccccc2F)CC1	736076971	FTQKZPCQUSBHNK-UHFFFAOYSA-N	417.200	4.782	50	20	HJGD	
COc1cc(C(=O)NN=Cc2ccc(-c3ccccc3OC)cc2)ccc1OC(C)C	741457547	WUBJXXHRIXZBNO-UHFFFAOYSA-N	418.493	4.922	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	741739648	BFGJCYOTSUREQP-JJEHFPDLSA-N	424.526	4.604	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1cc(F)c(F)cc1F	746858110	LHYMWFRIFMTAGL-UHFFFAOYSA-N	414.008	4.930	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(OC)c1O	747034486	TXGYVYHJJQKYBO-XNTDXEJSSA-N	402.372	4.694	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2ccc(C#N)cc2)cc1	748104903	MXHHIALRGLEPOJ-UHFFFAOYSA-N	411.440	4.615	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)C[C@H](c1ccccc1)C(F)(F)F	748751351	UYJYIRCNZUBNRC-CQSZACIVSA-N	401.226	4.937	50	20	HJGD	
CN(CCOC(C)(C)C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762666723	GWEAMXZOGQHSEN-UHFFFAOYSA-N	404.401	4.556	50	20	HJGD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	763610919	KCKNSJMPNYIGLL-YVLHZVERSA-N	421.467	4.757	50	20	HJGD	
CC(C)(C)c1csc(C2CCN(C(=O)[C@@H](Br)C(C)(C)C)CC2)n1	768086751	OSNBKOKZCABPQI-CQSZACIVSA-N	401.414	4.956	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2cc(C#N)cc(Cl)n2)c(C)n1C1CCCCC1	768703077	ZNHIKQFQOINETK-WQRHYEAKSA-N	422.920	4.581	50	20	HJGD	
O=C(NNc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1	769985026	CCJNZKTVDCUVOO-UHFFFAOYSA-N	420.900	4.968	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(F)cc1C(F)(F)F	771885267	QKMGTUAWQXDVMX-ZDUSSCGKSA-N	404.363	4.915	50	20	HJGD	
CN(C)Cc1ccc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	773624414	MIRPXHJDAHWELC-UHFFFAOYSA-N	423.407	4.983	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1cnc2ccccc2n1	774776683	VCSKSXVXLROEGJ-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
O=C(CCCc1ccc2ccccc2c1)NNC(=O)c1c(Cl)cccc1Cl	775702878	ZLSFCYREGBTRFF-UHFFFAOYSA-N	401.293	4.931	50	20	HJGD	
O=C(NNc1ccccn1)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	779053783	CLZFXJLPGLFJGJ-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
O=C(NNc1ncncc1Cl)Nc1cccc(OCc2ccc(Cl)cc2)c1	782041464	MDVLAYUIELIMIF-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1)c1ccccc1	788587260	CCOKIXNWKCOHKI-AWEZNQCLSA-N	401.388	4.997	50	20	HJGD	
COc1cc(NNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)ccc1Cl	790177732	LCCSGBXAMJVWJM-UHFFFAOYSA-N	406.269	4.733	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H]1[C@@H]1CCCO1	790408365	FTNJMNWNADWDPR-KGLIPLIRSA-N	407.426	4.676	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cnc(Br)c(Cl)c1	790906510	SXUPXGYADXCCSB-UHFFFAOYSA-N	413.461	4.700	50	20	HJGD	
CCc1cnc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)o1	793835243	VGXYBXIPVMMVFH-MFOYZWKCSA-N	408.889	4.521	50	20	HJGD	
CCCCSc1ccc(Cl)cc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803432118	JQHJNVFMFUTTEW-UHFFFAOYSA-N	401.919	4.831	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1nccnc1C1CCC1	805458921	CYOJIAIDDCTXQF-UHFFFAOYSA-N	418.284	4.771	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1	806585947	BPIOJWQSMSSALO-JOCHJYFZSA-N	414.578	4.769	50	20	HJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CCCC[C@H]1CCCO	814761272	SMHCOIUAGHZURX-ZDUSSCGKSA-N	405.951	4.699	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccn3)c2C)cc1	864489928	SIKUTSUXZMNHNH-AFDUHFSSSA-N	414.509	4.672	50	20	HJGD	
N#C/C(=C/c1cc2ccccc2nc1N1CCOCC1)C(=O)c1cc2ccccc2o1	916131232	RJWSZQKKXOQVIG-ZHZULCJRSA-N	409.445	4.607	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cn(CCC#N)c2ccccc12	916336976	VGPXOFGVACTMIX-GOSISDBHSA-N	410.477	4.626	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc3ccccc3c2)ccc1OCc1ccncc1	917546557	ASHFOFJWDBWRMY-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(COc3ccc(C)c(C)c3)o2)c1C	1326082456	JICZSWFUCBQQLY-NIQDBXHUSA-N	420.513	4.955	50	20	HJGD	
CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)[C@H](Br)CC)CCC2)cc1	1786259817	FFJNFHVBPODMDU-WMLDXEAASA-N	409.368	4.730	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc[nH]c34)CCC2)cc1	1786443246	DHKUADXLXZMIEB-SFHVURJKSA-N	424.932	4.718	50	20	HJGD	
Cc1cccc2cc(C(=O)NC3(c4ccc(NC(=O)[C@@H](F)Cl)cc4)CCC3)[nH]c12	1788584984	NPIAVDBHBSAJNR-LJQANCHMSA-N	413.880	4.758	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1	1789388843	BCQKUZCRSCTPLQ-LJQANCHMSA-N	424.932	4.718	50	20	HJGD	
O=C(CSC1CCCC1)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791605408	KOSKYPMSGQWQBE-UHFFFAOYSA-N	415.386	4.600	50	20	HJGD	
CC(C)C1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)CCC1	1824014527	CCVRMKUHICEKOT-IBGZPJMESA-N	411.030	4.697	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCO[C@H](c3ccccc3)C2)c(C)n1CC(C)C	729834039	AGENPYLQSZAXKK-BJYRUZDYSA-N	405.542	4.658	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@H](Sc1ccc(F)cc1)c1ccccc1	730288711	XHBJZKDZIZRFRW-JOCHJYFZSA-N	403.482	4.773	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2occc2C(=O)O)cc1)c1nc(-c2ccccc2)no1	730950990	IKSDXGLJRUXTSP-ATVHPVEESA-N	413.389	4.671	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)c1C	733934326	LUYLSOCCZNANSC-LBRXUCBSSA-N	413.484	4.655	50	20	HJGD	
N#C/C(=C\c1ccc(-c2c(F)cccc2F)o1)C(=O)Nc1ccc2c(c1)OCCO2	734367606	KJBCJPAUQRFYIK-JLHYYAGUSA-N	408.360	4.542	50	20	HJGD	
CC(C)(C)[S@@](=O)CCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	735864017	MXKKIMZYVVBOGM-VDBVYFBLSA-N	416.918	4.575	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	741893775	UOIHKWBLWRCUBH-WOJBJXKFSA-N	413.304	4.640	50	20	HJGD	
Cc1ccc(CCCNC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c(C)c1	744470174	PSNJSMVNQXTCGF-JIOFHBDDSA-N	419.569	4.557	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nc3ccccn23)cc1OC	744843709	SFDXCLHMPYQQBL-JXAWBTAJSA-N	424.460	4.564	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cc(F)c(F)c(F)c2)cnn1-c1cccc(Cl)c1	746700143	SPYHAUKYGVYUGP-UHFFFAOYSA-N	408.811	4.823	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1cccnc1Sc1ccc(Br)cc1	748090391	NXDLCGAVMPYDHF-UHFFFAOYSA-N	418.291	4.891	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)c1C	749141460	IREXHRCMHSCAQR-ZDLGFXPLSA-N	422.920	4.685	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)c1C	759221321	OKWQDWGETBOKLO-IWEBCOIVSA-N	407.514	4.783	50	20	HJGD	
N#C/C(=C\c1cccc(Cl)c1F)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	759644222	PJZKEHXDVNJCBL-WUXMJOGZSA-N	415.833	4.559	50	20	HJGD	
O=C(NN=Cc1cc(F)cc2cccnc12)c1ccc(Br)cc1Cl	760253587	UWRFGDPMBJGDDG-UHFFFAOYSA-N	406.642	4.554	50	20	HJGD	
O=C(NN=Cc1c(F)ccc(C2OCCO2)c1Cl)c1ccc(Cl)cc1Cl	761777269	IKOHIYFXEGWGDT-UHFFFAOYSA-N	417.651	4.595	50	20	HJGD	
Cc1cn2c(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3Br)c(C)nc2s1	765614007	ZJFFPLAZZZCRFJ-WZUFQYTHSA-N	403.261	4.748	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)nn1CCC#N	767930165	ALYFQBXSCZUZJI-XSFVSMFZSA-N	404.518	4.574	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1C	768902960	GYDPGZBNGMEJJA-PXLXIMEGSA-N	423.532	4.769	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@@H]1CCc2c(O)cccc21	773373171	XGOJFEAXCXPYAR-CQSZACIVSA-N	422.375	4.792	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	777476765	PIMLVAHCBMXCRH-UHFFFAOYSA-N	406.873	4.928	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777948553	UFIQKEMGKCQNRV-SECBINFHSA-N	406.398	4.988	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccccc2OC(F)(F)F)cc1Br	779429095	AEIRVFYHMJEVEC-UHFFFAOYSA-N	420.185	4.505	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNc2ccc(C(C)(C)C)cc2)c1C	780805922	JRNKQXCOSDMLMY-NNIWKIFQSA-N	408.546	4.660	50	20	HJGD	
Cc1nnc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)s1	781865407	JDGJSVRRPWUKFW-XGHPXPSOSA-N	410.474	4.605	50	20	HJGD	
FC(F)(F)[C@@H](Cl)Sc1ccccc1NCc1cn(Cc2cccnc2)nn1	784576232	NCVUKKBARXUXNW-INIZCTEOSA-N	413.856	4.553	50	20	HJGD	
Cc1oc2ccc(NC(=O)C(=O)NNc3c(Cl)cc(F)cc3Cl)cc2c1C	784879478	NZLSFFPNFSYZOD-UHFFFAOYSA-N	410.232	4.577	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1	787530341	NDUGGLQWDGTKSS-NXIIHZOPSA-N	418.440	4.635	50	20	HJGD	
Cc1cc([C@@H]2CCCN2C(=O)/C(C#N)=C/c2ccc(O)cc2)ccc1Br	797768436	OSRUAFIHNYAQSO-KZFLWGQDSA-N	411.299	4.734	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc(F)c(Br)c(Cl)c1	806863315	FARQGXJKTYWYDI-UHFFFAOYSA-N	400.660	4.608	50	20	HJGD	
Cc1ccccc1NNC(=O)C(=O)Nc1ccc(-c2ccc(OC(C)C)cc2)cc1F	815588781	YVZHKDINXBNUKQ-UHFFFAOYSA-N	421.472	4.670	50	20	HJGD	
CC(C)(C(=O)NNc1cc(Cl)ccn1)c1csc(-c2c(F)cccc2F)n1	815984380	MJEMMLHHIVHEGT-UHFFFAOYSA-N	408.861	4.558	50	20	HJGD	
COc1cc(/C=C/C(=O)NNc2cc(C)cc(C)c2)ccc1OCc1c(C)noc1C	857499115	DEPACGXGLIOHDM-VQHVLOKHSA-N	421.497	4.652	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1C	900726978	DXWOCIFWXUGERT-KGENOOAVSA-N	413.525	4.614	50	20	HJGD	
O=C(NN=Cc1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1Cl	915952604	HGTAOGDUIHOGNO-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccnn2Cc2ccccc2)c(C)n1CC(C)C	916558530	SBBKNAJQQMAYGK-XKZIYDEJSA-N	401.514	4.551	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@@H](Cc1ccccc1)c1ccccc1	918013728	QSUMLAYLHQWMIU-DEOSSOPVSA-N	409.489	4.768	50	20	HJGD	
CC(C)(C)c1ccc(OCC(=O)NN=Cc2csc(COc3ccccc3)n2)cc1	918708109	WCQVTTSJPCVVDR-UHFFFAOYSA-N	423.538	4.549	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc3ccccc3nc2N2CCCCC2)n1	920398883	ONPPBVMFOSIQGW-QGOAFFKASA-N	418.522	4.922	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(OC(F)F)cc2OC(F)F)n1	1317993152	PLLARFYJNWYYRU-YHYXMXQVSA-N	416.352	4.587	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NNc3ccc(Cl)c(F)c3)cc2C1	1321554983	KOQSAKJOSWNKRO-UHFFFAOYSA-N	419.884	4.529	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3scnc3C)cc2)CCC1	1787423122	ZYYAETNRBISCPG-MRXNPFEDSA-N	405.951	4.607	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Oc3ccccc3)CCC2)cc1	1790488003	CNVXYJQFBCCNQJ-JXFKEZNVSA-N	414.933	4.605	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1	1830011053	SRWFTWMYEYOZPS-RTWAWAEBSA-N	404.982	4.554	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)c2cccnc2)C1	1842393341	TUFXCTWHTSPVEB-UHFFFAOYSA-N	419.997	4.648	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OCc1cccs1	7334762	RXIHJWZMIOIUSN-SFQUDFHCSA-N	406.511	4.718	50	20	HJGD	
N#C/C(=C\c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)Nc1ccc(F)c(Cl)c1	14176521	DPQAIFISHOOZOP-KAPURRDVSA-N	400.837	4.583	50	20	HJGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)s1	26153439	OAPUXCKRZPWFGB-IGVUGNCQSA-N	406.301	4.663	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC(F)F	207813467	ALVLNKUDVJKYTR-GHXNOFRVSA-N	412.314	4.861	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(C(C)C)c([N+](=O)[O-])c2)c1C	214741758	FHLYHGBIKMZEJY-SXGWCWSVSA-N	409.442	4.630	50	20	HJGD	
N#Cc1ccc(NC(=S)NNC(=O)c2cc3c(s2)CCCCCC3)cc1Cl	726445922	UMUFQYHZFHZNJM-UHFFFAOYSA-N	418.975	4.564	50	20	HJGD	
O=C1CCCc2cc(NC(=O)NN(Cc3ccccc3)c3ccccc3)ccc2N1	728695842	JFUGLQUEBJDJPE-UHFFFAOYSA-N	400.482	4.705	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1	729652114	QKWGOCADTROEIC-UHFFFAOYSA-N	404.422	4.707	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1ccc(Br)s1)O[C@@H](C)C2	730435837	DBCNZOBSCAWTJA-MBGMWABPSA-N	404.285	4.632	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)c(Cl)c2)cc1	731488363	DYCHQIAXQVIKNO-NTEUORMPSA-N	420.799	4.664	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)[C@@H]1C[C@H]1c1c(F)cccc1F	734865687	YBKQKQIMONCMFG-NXEZZACHSA-N	401.638	4.628	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2cnc(C(C)(C)C)s2)cc1	736433708	ZYXSFDLPLKRBPB-WJDWOHSUSA-N	405.527	4.789	50	20	HJGD	
Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)CCCC[C@@H]2CCSS2)o1	737882876	QHDSSQMYZCLESQ-MSOLQXFVSA-N	403.573	4.718	50	20	HJGD	
C[C@H](CC(=O)NNC(=S)Nc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	738555650	FLLRCCMOPJFSEQ-LLVKDONJSA-N	415.868	4.870	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(\C#N)c1nnc2n1CCCCC2	740764366	SXYVTIUCOPYXRD-LDADJPATSA-N	406.921	4.584	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1	746059505	KUNQEKZJRAEGST-YDRQLGOLSA-N	409.829	4.610	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNc1ccc(Cl)c(F)c1	746698377	CZPYINNHGIXIKU-UHFFFAOYSA-N	407.276	4.751	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNC(=O)c3cc4ccccc4o3)cc2)cs1	749467474	LHOFPCLFUPLMKY-UHFFFAOYSA-N	423.519	4.565	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	755448685	SCWIHAIOZFYQFO-BBRMVZONSA-N	406.408	4.723	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	756154016	QSMCOUKRKYOJKL-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
C[C@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)Cc1ccc2ccccc2c1	756495844	SKZCSGOMVVBINR-MRXNPFEDSA-N	418.522	4.629	50	20	HJGD	
CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	757297274	KOEIGEDYDADFFL-OHUAYANFSA-N	408.873	4.539	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1ccc(Br)cc1	759071721	LYYPTOWAEUCQOM-UHFFFAOYSA-N	413.319	4.689	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(Br)cc2cccnc12	759660459	WPAVCCFZTREOSZ-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
O=C(NNc1ncc(F)cn1)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	760914459	FOWCSYQKVJAOEY-INIZCTEOSA-N	423.300	4.899	50	20	HJGD	
O=S(=O)(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc2c(c1)OCO2	762456959	NMTCBWJENGQUAM-UHFFFAOYSA-N	403.350	4.874	50	20	HJGD	
CS[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1N(C)C	762974465	IMGIVHGABSZVBM-QWHCGFSZSA-N	405.458	4.853	50	20	HJGD	
COc1ccc(-c2noc(CCCC(=O)NNc3c(Cl)cccc3Cl)n2)cc1	763610686	MOQQNGCIFWHFPH-UHFFFAOYSA-N	421.284	4.518	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1C	766563125	DKZLUBHQSZHMHX-ZBXXMNEPSA-N	416.500	4.862	50	20	HJGD	
COC(=O)c1ccccc1-c1ccccc1C(=O)NNc1ncc(Cl)cc1Cl	768217020	XCWGFPRBUPXYPQ-UHFFFAOYSA-N	416.264	4.599	50	20	HJGD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)/C(C#N)=C1/Nc2ccccc2S1	768432117	IBPSBILZWRAOGH-RTEFUZQYSA-N	401.444	4.737	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@]3(C2)OCc2ccccc23)c(C)n1CCC(C)C	770036874	DKOIFZKLDIGVKP-QTQKINJDSA-N	417.553	4.716	50	20	HJGD	
CC(C)c1noc(-c2ccc(NC(=O)NNc3ncc(Cl)cc3Cl)cc2)n1	775590537	MCJWDYWEEZMLBI-UHFFFAOYSA-N	407.261	4.710	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N(CCO)c1ccccc1	777603573	QGKKMHIBTKLUMM-UHFFFAOYSA-N	403.394	4.532	50	20	HJGD	
CN(Cc1ccccc1O)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777960276	BYOVBZQQZBPKLR-UHFFFAOYSA-N	403.394	4.870	50	20	HJGD	
CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1C	777972942	IVHRCXVSWSWYPW-OLZOCXBDSA-N	422.485	4.837	50	20	HJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1OC	780372801	BCBQXPGVUXAOHM-OVCLIPMQSA-N	405.372	4.911	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1	780802931	WPMQMWPSXKFIEJ-UHFFFAOYSA-N	414.509	4.968	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782488475	WAOZZIHBCUNXBD-HNNXBMFYSA-N	406.917	4.768	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H](CO)Cc1ccccc1	782699609	NTHAFGDOTCRBMS-BBRMVZONSA-N	418.868	4.631	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)/C(C#N)=C/c3ccc(O)cc3)s2)cc1	787370362	QADHMLAFCSCWNZ-CRRKTRLDSA-N	419.506	4.617	50	20	HJGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1	799740804	DGQUXNJUDYMAMC-VAWYXSNFSA-N	405.223	4.763	50	20	HJGD	
O=C(NNC(=O)c1scnc1C1CCCC1)Nc1ccc(-c2ccccc2)cc1	802037290	BSWITFSRYFLYAK-UHFFFAOYSA-N	406.511	4.934	50	20	HJGD	
Cc1c(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)sc2cc(F)ccc12	806848299	FMSXJFJFPBEBQL-UHFFFAOYSA-N	402.838	4.809	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cn(-c2ccccc2)nc1-c1cccnc1	912639397	WSDPDDXEKAFQDS-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
COc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1OC	914478456	OVCYMRFWXJYTDL-STZFKDTASA-N	421.541	4.851	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(c3noc(C)n3)CCCCCC2)c1C	915154971	QOCOUTVIOBZXJW-QNGOZBTKSA-N	423.561	4.869	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc(Br)cc3F)nc(O)c2c1C	915853255	BYLQVNKFLBEMOS-VZUCSPMQSA-N	404.264	4.980	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2OC)c1C	920009414	RGXUHDACNBQLQN-NGWPFTMJSA-N	401.894	4.520	50	20	HJGD	
CC(C)(C)c1ncc(C=NNC(=O)c2ccccc2OCc2ccc(F)cc2)s1	920360204	NGYWPKDWVQHPBV-UHFFFAOYSA-N	411.502	4.923	50	20	HJGD	
COc1ccc(OCc2ccccn2)c(C=NNC(=O)c2ccc(C(C)(C)C)cc2)c1	921256023	FWQKWFPAXRIOHW-UHFFFAOYSA-N	417.509	4.731	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccc(Br)cc2)cc1OC	932514331	VTRBHYPIPLDMDV-UHFFFAOYSA-N	413.699	4.657	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1csc(-c2ccc(OC)cc2)n1	17700376	UIEWJNHOERTTDX-FOWTUZBSSA-N	405.479	4.763	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cc3ccccc3o2)c1C	24701497	KYBBYQSOFDNDKZ-UWPUCLODSA-N	405.498	4.843	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	28911557	YLWFUSBKRVTATF-IYSPOMMRSA-N	422.891	4.817	50	20	HJGD	
O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NNC(=O)NC1CCCCC1	218054692	NCFQOVGIPQKPFH-UHFFFAOYSA-N	422.504	4.570	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2nc(-c3ccccc3)cs2)cc1	726876616	XQWSYFHDUULUIH-SFQUDFHCSA-N	403.463	4.532	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)Nc1ccc(Cl)cc1	728438542	ZWRYYMWFAGARBX-QPEQYQDCSA-N	409.854	4.738	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H](c1ccc(Cl)cc1)C1CCCC1	729616116	OSJIKYBFQCLDOY-HXUWFJFHSA-N	410.905	4.697	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)Nc2ccccc2)c(C)n1C1CCCCC1	732542311	KMUZOUDSHDWSRS-CQHJRZBDSA-N	418.541	4.661	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1Oc1ccccc1	732977168	CWKAUZLDYDKWQM-UHFFFAOYSA-N	406.829	4.939	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(CN3CCCCC3)cc2)ccc1Br	734251241	IHUKEDUMNGXODG-UHFFFAOYSA-N	402.336	4.500	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1ccccc1Oc1cccnc1	739310932	IUMJXZIKQYEGFG-UHFFFAOYSA-N	415.199	4.764	50	20	HJGD	
Cc1cc(C)c(NNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)c(C)c1	743761388	FLVSNULNSCSCGS-UHFFFAOYSA-N	400.832	4.624	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c(C)c1	743764086	ACAAMDDVZAQTMY-UHFFFAOYSA-N	411.509	4.676	50	20	HJGD	
O=C(NNc1ccccc1)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl	745899676	UUINPSWWAIKZOQ-NRFANRHFSA-N	409.873	4.527	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1ccc(Br)s1)[C@@H](CC)c1ccccc1	746204820	QRCBCXODLSPXMV-AWEZNQCLSA-N	424.364	4.728	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1C	747444018	VVHDJSDEJPJTKU-CCULFSDZSA-N	424.614	4.512	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(COc2ccc(F)cc2)o1	748694869	VUMPDHBYBADNOI-UHFFFAOYSA-N	424.350	4.696	50	20	HJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748695398	IMRJSDQKOKWOPL-UHFFFAOYSA-N	411.383	4.923	50	20	HJGD	
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNc1cccc2cnccc12	748770212	YNWKHCWJULWDNX-NSHDSACASA-N	420.694	4.561	50	20	HJGD	
O=C(NCc1cccc(NC(=O)C2CCC2)c1)NNc1cc(Cl)ccc1Cl	752872212	ZKPIQIGRZQGFEX-UHFFFAOYSA-N	407.301	4.558	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc2ccccc2c1	753278930	DSVMBWQRJZVIRF-KRWDZBQOSA-N	414.461	4.577	50	20	HJGD	
N#Cc1ccc(NNC(=O)C2(c3ccc(Br)cc3)CCC2)cc1Cl	753296781	APWQYISCFGKYLY-UHFFFAOYSA-N	404.695	4.539	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(C(=O)NNc2cnnc3ccccc23)cc1Cl	762252782	LXKIAVFWGNFGBL-UHFFFAOYSA-N	415.840	4.704	50	20	HJGD	
CCC(=O)N1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762966996	BIIIWRDCCBMHAD-UHFFFAOYSA-N	401.401	4.820	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1csc(-c2ccc(F)cc2)n1	767301086	DNPMTRUOXFQAGR-UHFFFAOYSA-N	422.510	4.766	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c(C)cc1Br	768478030	GKLPEBBSKJJPPY-UHFFFAOYSA-N	417.225	4.764	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1csc(-c2ccc(Cl)cc2Cl)n1	768502339	VZCZEVZEPNREIM-UHFFFAOYSA-N	404.282	4.750	50	20	HJGD	
CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)o1	775092854	ABKZMHCLHWXKON-UHFFFAOYSA-N	407.386	4.825	50	20	HJGD	
Cc1c(C(=O)NNC(=S)Nc2ccccc2C(C)C)csc1Br	776133761	KOLZJFNOKFQTOL-UHFFFAOYSA-N	412.378	4.574	50	20	HJGD	
O=S(=O)(NC[C@H]1CC1(Cl)Cl)c1cccc(S(F)(F)(F)(F)F)c1	777872956	MORDECBCTGMVFA-SSDOTTSWSA-N	406.225	4.816	50	20	HJGD	
CC(C)C(=O)NNC(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	782084375	ZNNKMYASSSHAND-UHFFFAOYSA-N	404.879	4.551	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(C#N)n1C	782829081	MZWPYQLGJBJGOM-VJUVOTIISA-N	419.488	4.528	50	20	HJGD	
O=S(=O)(NCCOc1ccccc1F)c1ccc(S(F)(F)(F)(F)F)cc1	782979709	LTUHESNMUWYVFS-UHFFFAOYSA-N	421.384	4.840	50	20	HJGD	
O=C(NNc1ccccc1Cl)C(=O)Nc1ccccc1SCc1ccccc1	784774521	OXMPKKYGRMDXPM-UHFFFAOYSA-N	411.914	4.714	50	20	HJGD	
CC(C)c1nc2ccc(NC(=O)C(=O)NNc3ccc(C(C)(C)C)cc3)cc2s1	784807395	XUHGOYSEXKYWNQ-UHFFFAOYSA-N	410.543	4.799	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cccc3cnccc23)cnn1-c1ccccc1Cl	790804069	OXEHMRFTTFVODY-UHFFFAOYSA-N	405.889	4.954	50	20	HJGD	
COc1cc(NNC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)ccc1Cl	791027851	KZKGALJZHCITKM-UHFFFAOYSA-N	419.909	4.772	50	20	HJGD	
O=C(NNC(=O)c1ccc2nc(C(F)F)[nH]c2c1)Nc1ccc(-c2ccccc2)cc1	802037995	BOVOQWLJEBNAPF-UHFFFAOYSA-N	421.407	4.634	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	802828878	IGFANRBGKHYADX-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1	803041004	HXEWTBCZQOYSNO-UHFFFAOYSA-N	414.431	4.919	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cc(-c2ccccc2)nc2ccccc12	803432733	LSJRRANYDHYVCA-UHFFFAOYSA-N	406.445	4.500	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(Oc2cccnc2)cc1	807619532	ZNOMWNVVURMBQG-AWEZNQCLSA-N	414.412	4.863	50	20	HJGD	
Cc1noc([C@H]2CCCN2C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	807766149	ABQYODUALKSRJK-CNSVBDKNSA-N	407.518	4.572	50	20	HJGD	
COCc1ncc(COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)s1	813999981	UEEKKDZKYQCRCO-GRSHGNNSSA-N	421.522	4.656	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1	817913061	UUUPILADLMIMCS-PTNGSMBKSA-N	405.435	4.878	50	20	HJGD	
CCOc1ccc(NNC(=O)c2sc(-c3ccc(OCC)cc3)nc2CC)cc1	817915329	ITFVYUYIYRRKRH-UHFFFAOYSA-N	411.527	4.927	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1	818803718	MDOQWVQLBUZKEH-UHFFFAOYSA-N	413.865	4.545	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@@H](CC(C)C)c1ccccc1	914599116	QDOIKURUGXAISS-IBGZPJMESA-N	422.554	4.850	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)NC1CCN(CC2CC2)CC1	916676918	JPCPMDNCWHEVNV-MRXNPFEDSA-N	421.916	4.902	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1c(-c2ccccc2)nc2sccn12	917028414	QLCNEGIOISVREX-UHFFFAOYSA-N	424.526	4.834	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC2(c3ccc(F)cc3)CCC2)c1C	920352064	UBHQIMIUXHQARC-NNIWKIFQSA-N	409.505	4.554	50	20	HJGD	
COc1ccc(CCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1	920378262	YGEMKBHALOLUDK-UHFFFAOYSA-N	424.504	4.631	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)c1ccccc1F	921265985	UMROWBVNPXQSBN-RVDMUPIBSA-N	418.262	4.793	50	20	HJGD	
COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)NNC(=O)c1ccccc1Cl	1323078026	NGDZRJLBUPBOJF-QGZVFWFLSA-N	424.328	4.733	50	20	HJGD	
C[C@]1(C(=O)NC2(c3ccc(NC(=O)CCBr)cc3)CCC2)CC=CCC1	1787673787	YTGVZERPLMJTGE-FQEVSTJZSA-N	419.363	4.652	50	20	HJGD	
Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@](C)(Cl)CCl)CCC3)cc2)o1	1791947662	BISXMSWKIJZGHU-HXUWFJFHSA-N	423.340	4.501	50	20	HJGD	
C[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc2)CCC1	1791970979	ARDKUSULYUPVSJ-BZUAXINKSA-N	421.379	4.730	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccs2)n[nH]1	1815990128	MGSZZHRYOYMNBB-WBVHZDCISA-N	422.982	4.504	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1824013712	QLZLCEIZDCCAEL-SFHVURJKSA-N	414.993	4.544	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)s2)CC1	1824611940	RGVOCGGVXHIKCA-QZTJIDSGSA-N	411.011	4.697	50	20	HJGD	
Cc1ccc(OCc2nc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)cs2)cc1	63275840	LCHOGUZADHWJIL-MIQLPHMESA-N	403.507	4.815	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(COC(C)C)cc2)c(C)n1C[C@H]1CCCO1	195639690	BUMUWLANFCODQD-LYRGBEMXSA-N	421.541	4.755	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc(OC)c1O	212050647	OYYIIPPYUKACPH-YVLHZVERSA-N	420.440	4.746	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1	214385910	NXGXHXZNPAUJJB-XESZTULISA-N	414.461	4.716	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc3sc(C)nc3cc2OC)c1C	726764458	PZBOAULOVHAJJF-MFOYZWKCSA-N	408.527	4.987	50	20	HJGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1csc(-c2csc(C)n2)c1	729144344	UKCOEIUUQUJZLA-LBPRGKRZSA-N	403.504	4.627	50	20	HJGD	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)NNC(=O)c1c(Cl)cccc1Cl	729831024	OUBCWBDNYKRYJU-HHQWOOOKSA-N	407.297	4.645	50	20	HJGD	
CCCCOc1cc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)ccc1OC	730570538	MGXUCFOLUAQWMS-UHFFFAOYSA-N	423.538	4.690	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@H]2CCCOC2)c(C)n1-c1cccc(Cl)c1	730793683	UQKHIOQOXAIPAO-HDOAHBKWSA-N	411.933	4.540	50	20	HJGD	
Cc1ccc(C[C@@H](NC(=O)NNc2ccc(OC(F)F)cc2)c2ccccn2)cc1	734682857	CVSDZIMURIYING-HXUWFJFHSA-N	412.440	4.602	50	20	HJGD	
C[C@@H](c1ccccc1)N1CCC(NC(=O)NNc2ccc(Cl)cc2Cl)CC1	734947253	SSXNZEJKQTUDOQ-AWEZNQCLSA-N	407.345	4.845	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)ccc1C(=O)N(C)C	740808219	GFAKBSATKRIQHC-KGENOOAVSA-N	420.557	4.707	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(-c2ccccc2)cc1	743825933	LLDYPONWFJQTQN-IAGOWNOFSA-N	405.420	4.875	50	20	HJGD	
Cc1cc(C(=O)NNc2ccccc2C(F)(F)F)nc(-c2ccc(Cl)cc2)n1	751584425	QNYFAFYHVJOHGN-UHFFFAOYSA-N	406.795	4.881	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2cc(F)cc(F)c2)c(C)n1C[C@@H]1CCCO1	755400319	QPUIMYIVJKYQHR-JYEAVXQMSA-N	414.452	4.774	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1	758834668	PZDIAZFFMZDCCV-FQEVSTJZSA-N	411.864	4.521	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(C(F)(F)F)cc2)c1C	760664785	NESQFHSMKHTRMX-HNIBHBHRSA-N	420.431	4.982	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c(Br)c1O	761013395	SKENHHXXTOTGDT-WDZFZDKYSA-N	415.218	4.574	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccc(NC(=O)c2cccs2)c1	761588479	QTZJYZJSBLFSBA-UHFFFAOYSA-N	421.400	4.656	50	20	HJGD	
O=C(NCc1ccc(F)c(F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762643331	ZQYCGUDUYOVCTP-UHFFFAOYSA-N	416.318	4.877	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@]1(O)CCN(Cc2ccccc2)C1	762758628	HPYMRZACXQXPOR-SFHVURJKSA-N	422.419	4.920	50	20	HJGD	
COC(=O)Nc1cc(C(=O)NNc2ccccc2C(F)(F)F)cc(C(F)(F)F)c1	763236210	PWSGDPBSUCJDMM-UHFFFAOYSA-N	421.297	4.659	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1	767028276	BEKBEGXICPLQIK-CQSZACIVSA-N	413.699	4.933	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	768417519	QXSPOSMEZIIPLM-UHFFFAOYSA-N	418.837	4.690	50	20	HJGD	
C[C@H]1C[C@@H](CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO1	778065039	QUMDWBVIROSTJE-RYUDHWBXSA-N	409.442	4.828	50	20	HJGD	
C[C@@H]1CC/C(=C\C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783461531	RUNCHDFTOOHWAP-OYVNLZQHSA-N	405.410	4.895	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)ccc1Oc1ccncc1	787540184	GISFABVGWHLPQZ-UHFFFAOYSA-N	418.497	4.562	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c(-c2ccncc2)n1	788348504	CEEDBZUJUREFHC-HKWRFOASSA-N	418.460	4.558	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1ccc(OC(F)F)cc1	790901780	PJXDHKVHSLGBIK-UHFFFAOYSA-N	421.444	4.711	50	20	HJGD	
C=C(CBr)COC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	795502332	UTJYXTLRROINSA-UHFFFAOYSA-N	408.239	4.742	50	20	HJGD	
Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NNc2ccc(Cl)cc2)o1	797044769	IFSQNXUDNKFIKA-UHFFFAOYSA-N	404.253	4.644	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(SC(F)(F)F)cc2)cc1	797304641	MNAIPDNCMKSRIT-VBKFSLOCSA-N	406.429	4.573	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc1C	798126475	XEKBXRBPIUWZCE-UHFFFAOYSA-N	416.506	4.743	50	20	HJGD	
Cc1c(NNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)cccc1[N+](=O)[O-]	799706750	UKUJIRZXLBUMBJ-UHFFFAOYSA-N	405.241	4.962	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2c(Br)cccc2Br)cs1	801501222	DIMQNZHHJXGOJK-UHFFFAOYSA-N	419.142	4.548	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccc(-c2cccc3cccnc23)cc1	803172060	ZESAWWKYQFHWQS-UHFFFAOYSA-N	424.489	4.572	50	20	HJGD	
Cc1cccn(Cc2c(F)cccc2NCc2ccc(OCCCCl)cc2)c1=O	811507789	OISNFSZXURZTOR-UHFFFAOYSA-N	414.908	4.964	50	20	HJGD	
Cc1cc(OC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)ccc1[N+](=O)[O-]	815912452	MMSZLPDEXRNIKO-UHFFFAOYSA-N	415.833	4.520	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NNC(=S)Nc2ccc3ccccc3c2)cc1	915995402	QSMCCWPCJYRDKW-UHFFFAOYSA-N	407.539	4.896	50	20	HJGD	
Cc1cc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)no1	919713821	YGZCAJXFABAMSD-WQRHYEAKSA-N	408.889	4.610	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2cccs2)c(C)n1-c1ccccc1F	1115811540	XQPISDPGFQRKCU-BOPFTXTBSA-N	408.454	4.628	50	20	HJGD	
CC(C)[C@@]1(CO)CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	1324540749	RPSCQEBEXFUFCV-HOCLYGCPSA-N	410.889	4.778	50	20	HJGD	
COc1cc(C)c(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)c(C)c1	1790750578	YBXTUDVJDCDXEB-IBGZPJMESA-N	418.896	4.594	50	20	HJGD	
Cc1ccc(/C=C/C(=O)N2CCC3(CCCN(C(=O)C(C)(C)CCl)C3)CC2)s1	1805264373	HIVQNSLCXICLNQ-BQYQJAHWSA-N	423.022	4.566	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C)c2Cl)n[nH]1	1823183902	NZRMKEWYNBFDFE-GDBMZVCRSA-N	423.344	4.695	50	20	HJGD	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2OC)cc1	7155827	BBRPPQCKAXLPMZ-XSFVSMFZSA-N	413.429	4.713	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(F)cc2Cl)c(C)n1C[C@@H]1CCCO1	11244078	LHPAJSVDXNQOGI-KYSILRCISA-N	416.880	4.727	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC	215875870	LDSYCSUGTIGDFT-SDQBBNPISA-N	407.253	4.565	50	20	HJGD	
C[C@H]1CCc2[nH]c3ccc(C(=O)NNC(=O)c4c(Cl)cccc4Cl)cc3c2C1	727805963	GTUUTSTVNODFOV-NSHDSACASA-N	416.308	4.674	50	20	HJGD	
CCN(CC)C(=O)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	729165696	GENDAFBLLJDSGE-UHFFFAOYSA-N	414.720	4.886	50	20	HJGD	
CC(C)(C)OC(=O)N[C@H](CCC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	734553258	GYHRGMDLWOUIMV-QGZVFWFLSA-N	423.435	4.593	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1csc2ccccc12	743597905	KEUBALDWYGJTEK-LLVKDONJSA-N	420.441	4.600	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(Cl)nc1)c1ccc(OCc2ccc(F)cc2)cc1	745801201	KTQIFPDFSCRHQY-AWEZNQCLSA-N	414.868	4.840	50	20	HJGD	
Cc1cccc(-c2cncc(C(=O)NNc3ccc(Br)cc3F)c2)c1	748188865	YCHAGYMEZVNDKG-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1	748584618	RCROCTJBBWZWKZ-UKTHLTGXSA-N	419.409	4.854	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	748585140	ZYDBPNRMZOEHDC-GHXNOFRVSA-N	406.225	4.846	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc([N+](=O)[O-])c3C)c3ccccc3n2)o1	748670663	MJRUZALSDZDIPB-UHFFFAOYSA-N	402.410	4.777	50	20	HJGD	
CC[C@H](C)n1ncc2c(C(=O)NNc3ccc(Br)cc3C)cc(C)nc21	748748603	NOLBLUSYBGJQAD-ZDUSSCGKSA-N	416.323	4.539	50	20	HJGD	
CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752977982	JNKVDDWXXVSLRQ-UHFFFAOYSA-N	424.399	4.617	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(Br)cc2SC)n1	755031312	GWFPFNKAOFMIMZ-IZZDOVSWSA-N	409.330	4.868	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(Br)cc2cccnc12	758214230	DZVORESHJFHXOA-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC1=NNC(=O)c1cccc2ncccc12	762448779	JFNFPVPTPFUZSK-NQIIRXRSSA-N	422.529	4.520	50	20	HJGD	
CC(C)c1ccc(N2Cc3ccc(NC(=O)NNc4ccc(Cl)nn4)cc3C2)cc1	772591093	NPZDOYIPEUEFFE-UHFFFAOYSA-N	422.920	4.922	50	20	HJGD	
CSc1cc(/C(C#N)=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)ncn1	773175033	CBCWZMBMEXCPJY-NVNXTCNLSA-N	407.524	4.712	50	20	HJGD	
Cc1cc(Sc2ncccn2)ccc1NC(=O)NNc1ccc2ccccc2n1	775588299	BQEGXFBFRHYKJK-UHFFFAOYSA-N	402.483	4.633	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1C	778130283	PKOXYQIHUWFHQH-NBDTWVDXSA-N	413.484	4.703	50	20	HJGD	
O=C(Cc1ccc(Br)c(Cl)c1)NNc1ccc(OC(F)(F)F)cc1	787134687	DITKUNWGYTVOLB-UHFFFAOYSA-N	423.616	4.687	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1	787551226	QJPQTPWRECIAJA-LLVKDONJSA-N	418.752	4.585	50	20	HJGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl	789720407	JSQPFQRPWSRZPV-UHFFFAOYSA-N	418.255	4.881	50	20	HJGD	
C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)CCCC[C@@H]1CCSS1	790210710	RIBWKLCGFDUJIK-MAUKXSAKSA-N	408.589	4.877	50	20	HJGD	
O=C(CCCCNC(=O)OCc1ccccc1)NNc1cc(Cl)cc(Cl)c1	791719767	LGDIYKZMQKSAOW-UHFFFAOYSA-N	410.301	4.533	50	20	HJGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)c1nn(-c2ccccc2)cc1O	799472363	RSAUAKKLONIGSH-UHFFFAOYSA-N	415.497	4.533	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1	800540533	JDGTXYCOHRRMBG-YVLHZVERSA-N	415.415	4.509	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNC(=O)Nc1ccccc1	801991519	QZPXPPCLERSBRF-UHFFFAOYSA-N	420.416	4.604	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2c(F)cncc2F)c(C)n1-c1ccc(F)cc1	804823424	IYSYDVSXOITHGQ-IREQLNLFSA-N	424.426	4.691	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cnc(C(F)(F)F)cc2C)c1C	813275339	FCHHXMJISRLMJM-WZCGUGGKSA-N	420.435	4.580	50	20	HJGD	
Cc1nnsc1C=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	814213722	HLEDHIKHTUEEFR-UHFFFAOYSA-N	402.932	4.556	50	20	HJGD	
CC(C)(C(=O)NNc1ccc2ccccc2n1)c1csc(-c2ccccc2F)n1	815969259	MIAVYCJFOYAPAV-UHFFFAOYSA-N	406.486	4.918	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3ccc(F)cc3F)c(-c3ccccc3)n2)cc1	876985121	UCRYIQKQLHINRC-UHFFFAOYSA-N	404.420	4.883	50	20	HJGD	
CCNc1nc(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)nc2ccccc12	913606438	PLXSVRAOYCBAEH-XSFVSMFZSA-N	419.535	4.676	50	20	HJGD	
Cc1n[nH]c(C)c1/C=C(/C#N)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	915985201	RBRMYAVYWRYYQV-YBEGLDIGSA-N	410.424	4.825	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(O)c3c(C)c(C)sc3n2)cc1	916615293	RDYXQCKKXUEHRZ-BVTUPMQUSA-N	423.494	4.624	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccccn2)C(C)C)c(C)n1-c1ccccc1F	917775984	FFTYGRCDBWUUBB-KGENOOAVSA-N	416.500	4.972	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)cc1	1116889366	ALEDOWQVZXYMQO-MFOYZWKCSA-N	406.873	4.603	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)CCC1)[C@H](F)Cl	1786654632	NKNOVLBPZHHTFN-SFHVURJKSA-N	418.871	4.526	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)Cc3ccccc3F)cc2)CCC1	1787747936	XUGHVMZQMPJCSV-UHFFFAOYSA-N	416.924	4.767	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccnc2ccccc12	1788584172	NFCZFTYDNVUWBL-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1	1790489627	XQEONXVIXGTHBQ-FQEVSTJZSA-N	411.373	4.937	50	20	HJGD	
CC1(C)CCC(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](F)Cl)[nH]n2)CC1	1820975607	BXVRBLIZUIBXGQ-CRAIPNDOSA-N	412.937	4.543	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1	1824010001	CRWKDHJLEYFENI-MRXNPFEDSA-N	424.935	4.604	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)c2ccco2)C1	1842368979	ZWFFLXIPKOQJRV-UHFFFAOYSA-N	408.970	4.846	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	21287842	RDBZICJLSCWIJP-NSHDSACASA-N	409.455	4.771	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N(C(C)C)C(C)C)c(C)n1C1CCCCC1	213040669	UJLNUGJURANMTM-BKUYFWCQSA-N	413.562	4.706	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3)cc2C)c1C	302901884	YOVKCKNGLKSOEJ-HBEGMLAUSA-N	420.557	4.767	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)C(=O)c3ccc(F)cc3)cs2)cc1	732577159	NCQDJHOEZCDDQY-WJDWOHSUSA-N	421.453	4.765	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNC(=S)Nc3ccccc3C(C)C)c2)n1	740082067	KPYORPASEJBHTG-UHFFFAOYSA-N	410.568	4.873	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c(C)c1	742072460	ZNDPSQBZMQTZAH-UHFFFAOYSA-N	403.198	4.542	50	20	HJGD	
Cc1cccc2c(CCC(=O)Oc3ccc([N+](=O)[O-])cc3Br)c[nH]c12	744168745	QELCXQDRZTYYAR-UHFFFAOYSA-N	403.232	4.685	50	20	HJGD	
Cc1noc(C(F)F)c1C(=O)NNc1c(Cl)cc(Br)cc1Cl	746315123	KSLRGONCPHTBKC-UHFFFAOYSA-N	415.021	4.747	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cccc(Oc2ccncc2)c1	748076236	CBLIEMXRQPIYKL-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3nc(C)cs3)cc2)c1C	751235567	CEOBDBIPACVBTE-UDWIEESQSA-N	420.538	4.729	50	20	HJGD	
O=C(Cc1csc(Cc2ccc(F)cc2)n1)NNc1cc(Cl)ccc1Cl	752810027	LTGUIOCTLLOLAF-UHFFFAOYSA-N	410.301	4.866	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1csc(COc2ccc(F)cc2)n1	752811208	YDUIYGOIDAMOLN-UHFFFAOYSA-N	412.273	4.925	50	20	HJGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NNC(=O)c1cccc2ccccc12	755402972	VMTGQKDLGBLITI-UHFFFAOYSA-N	421.305	4.632	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1C	762428343	WXJNYQIRKYIAJQ-WQRHYEAKSA-N	424.501	4.560	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2c(C)oc3ccccc23)c1C	767214068	IJJUHUXCDIQTKA-IWEBCOIVSA-N	405.498	4.590	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)NNc1ccccc1C(F)(F)F)c1ccco1	769203624	SAIPNHFKXXVAPA-SFHVURJKSA-N	405.376	4.723	50	20	HJGD	
CCc1c(C(=O)NNc2cccc(Br)c2)cnn1-c1ccc(Cl)cc1	771421886	FQKOOMAPODTPQF-UHFFFAOYSA-N	419.710	4.608	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)[C@@H](Sc1ccccc1F)c1ccccc1	774791261	ZWKIAKUMEUIWNJ-NRFANRHFSA-N	404.470	4.746	50	20	HJGD	
O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777599801	RPEKGMWRQSGDDX-UHFFFAOYSA-N	420.337	4.759	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc2[nH]c3ccccc3c(=O)c2c1	780965449	ZZSKJXKFENZILA-UHFFFAOYSA-N	415.346	4.596	50	20	HJGD	
CC(C)(C)OC(=O)NCCCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	781669803	NAIRCPQAHIFQHS-UHFFFAOYSA-N	410.729	4.785	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1ncnc2ccsc12	797941020	VKLXBOLRRYHJJZ-UHFFFAOYSA-N	420.281	4.718	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2SC)c1C	800080803	OQCGDSZWBVCMPW-XWXBZMLMSA-N	411.571	4.819	50	20	HJGD	
CCOC1CC2(CCN(C(=O)/C(C#N)=C\c3cc(C)n(-c4ccccc4F)c3C)C2)C1	804630140	ZBFHTLMKIFCRNO-NDENLUEZSA-N	421.516	4.558	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	805470850	VDGGUROEMPYJGH-HZPDHXFCSA-N	405.527	4.547	50	20	HJGD	
COc1ccc(NNC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nc1	806786355	IVQJOVNMTBREQN-UHFFFAOYSA-N	424.313	4.593	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@@H]1COc2ccccc2[C@H]1O	808843469	GBBPQBLHYTUREF-UKRRQHHQSA-N	410.364	4.960	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Br)c1ccc2ccccc2n1	811629358	XTNIIIMQZIDLPS-UHFFFAOYSA-N	422.204	4.780	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3cccc(Cl)c3)on2)c(C(F)(F)F)c1	816703557	JTANKKJJZPZCSS-UHFFFAOYSA-N	411.767	4.779	50	20	HJGD	
O=C(CCOc1ccccc1-c1ccccc1)NNc1cc(C(F)(F)F)ccn1	857514561	RGAUNVURBAZAJS-UHFFFAOYSA-N	401.388	4.680	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC(C)C)cc2)c(C)n1C[C@H]1CCCO1	915737971	UQXGBVWYYFYPFE-JPFXZVHCSA-N	407.514	4.617	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(OC)c3ccccc23)c1C	915983469	GKIJDPRYABICRT-ATVHPVEESA-N	402.450	4.760	50	20	HJGD	
CC(CCc1ccc(O)cc1)=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	916289346	BOQMXMMVOFQAAG-UHFFFAOYSA-N	410.477	4.741	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c([N+](=O)[O-])c1	916665193	DOEQRNBFBMVFNW-WOJGMQOQSA-N	410.474	4.614	50	20	HJGD	
Cc1cc(C)c(C)c(OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1	916857594	NHTMEBRADXAUIG-STZFKDTASA-N	410.477	4.902	50	20	HJGD	
Cc1ccc2nc(CNC(=O)/C(C#N)=C/c3cc(C)n(C4CCCCC4)c3C)cn2c1	918704862	NUKNGEYGHMDMPO-CIAFOILYSA-N	415.541	4.790	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(-c2cccnc2)n1	920065291	KQLLZNXFLUDLAK-XMHGGMMESA-N	421.460	4.820	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)cccc2C)[nH]n1	1815321753	GLOKBKFZNWZACC-SJLPKXTDSA-N	416.953	4.740	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1	1820897700	FGEOLGRXQWKHCC-KBXJCHCYSA-N	406.958	4.556	50	20	HJGD	
Cc1nocc1C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1842494275	OKTDUICBILTHQA-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
CC(C)(C)c1cc(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)cc(C(C)(C)C)c1	1843366193	HPEKWGMDUMIKLU-SFHVURJKSA-N	422.972	4.633	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N[C@H](C)c3cccc4ccccc34)cc2C1	9793481	AWXBZGQWLULQJQ-HUUCEWRRSA-N	407.539	4.731	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)C(=O)NC1CCCCC1	23723731	DEOWWZXBUZQHSX-QGOAFFKASA-N	407.901	4.948	50	20	HJGD	
CCCOc1ccc(Br)cc1/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1	23778541	GIBCCGYICQWUQQ-LDADJPATSA-N	420.328	4.885	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3cnco3)c2)c1C	108727383	CXZNPUMSBGXAGV-DMOKECBHSA-N	404.470	4.513	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(C)c1OCc1ccccn1	207411685	UDRLJCCGTFWMMT-UYRXBGFRSA-N	401.441	4.962	50	20	HJGD	
O=C(NNc1ccc(F)cc1)c1ccccc1OCc1ccccc1Br	301240892	OQPFXXZZDNOFOY-UHFFFAOYSA-N	415.262	4.924	50	20	HJGD	
O=C(NNC(=S)Nc1ccccc1-c1ccccc1)c1cccc(OC(F)F)c1	728448560	GXFZGNJKNDCSJH-UHFFFAOYSA-N	413.449	4.586	50	20	HJGD	
N#Cc1cccc(C(=O)NNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c1	728825055	CEVYSOWLJATJFK-UHFFFAOYSA-N	423.803	4.520	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)c2c(c1)C[C@H](C)O2	730436286	HOLCTBPSSSERNX-MBGMWABPSA-N	404.285	4.632	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)cc(OC)c1O	730437933	WPXWENHMKSGSBD-MDWZMJQESA-N	404.285	4.743	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=Cc3cc(C)n(C4CC4)c3C)s2)cc1	730557280	AECQDRZVXZQCLI-UHFFFAOYSA-N	408.527	4.523	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1C	730596307	QHIFDLLAFZQVKM-CVEARBPZSA-N	408.354	4.732	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC(=O)Cc1ccc(Cl)cc1	740761470	UVWCNJDIUFCLLO-UHFFFAOYSA-N	415.324	4.548	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(SC)cc1OC	741165899	SJCSXDZUIOTMQR-QPEQYQDCSA-N	422.428	4.990	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCSCC3)cc2)c(C)n1CC(C)C	741578275	NQAFOTLIZUMOCF-STZFKDTASA-N	422.598	4.860	50	20	HJGD	
CCn1c(-c2ccccc2)c(C(=O)/C(C#N)=C/c2cnn(CCOC)c2)c2ccccc21	742350011	NKGMLHFASIOBJX-RCCKNPSSSA-N	424.504	4.961	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCC(OCC4CC4)CC3)c2C)cc1	743784528	LIXLWEWCCSHPBF-HAHDFKILSA-N	417.553	4.727	50	20	HJGD	
CN(C[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1)C(=O)OC(C)(C)C	744341166	DPKGBVWZAXVDIA-DLBZAZTESA-N	416.653	4.806	50	20	HJGD	
CCCCCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC	747034996	ZXCAORLFQIXZLU-QGOAFFKASA-N	408.454	4.508	50	20	HJGD	
COc1ccc2[nH]cc(C3=CCN(/C(=C/C#N)c4ccc([N+](=O)[O-])cc4)CC3)c2c1	750037918	DNEDMIUFWJYSNR-LIMNOBDPSA-N	400.438	4.738	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)Oc3ccc([N+](=O)[O-])cc3OC)cs2)cc1	751166982	QZCUBSPJABEJLR-UHFFFAOYSA-N	414.439	4.735	50	20	HJGD	
O=C(NN=Cc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc(Cl)nc1	755650115	GVQVCBJHVMKEIF-UHFFFAOYSA-N	411.701	4.929	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1	755756007	KQCZYQISYAUPBT-PKTZIBPZSA-N	412.493	4.689	50	20	HJGD	
CC(C)CC1(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)CCCC1	755805601	ATFLOGAIBVJCJK-UHFFFAOYSA-N	407.440	4.607	50	20	HJGD	
CC(=O)N[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccc(Cl)cc1	757421001	ANTRBEFSDQJNEO-SFHVURJKSA-N	412.829	4.574	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)Nc1cccc(CCC(F)(F)F)c1	757618595	CBDGKKPPNKITBU-UHFFFAOYSA-N	415.415	4.730	50	20	HJGD	
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CS2	762517730	MPQUMFOEISMGLS-RISCZKNCSA-N	402.410	4.737	50	20	HJGD	
C[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762644806	BWOJZRQOVIXVQH-NSHDSACASA-N	409.380	4.897	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1C	765864444	ZZOVFIHPMWTDES-FCGPPKDQSA-N	422.312	4.870	50	20	HJGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1cccc(OCc2ccccn2)c1	767035778	NUSYGMSXXDZKSQ-KBXCAEBGSA-N	405.336	4.647	50	20	HJGD	
O=C(NNc1ccccn1)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	770333718	SELRPIFWTXZEGS-UHFFFAOYSA-N	415.375	4.501	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccn(CC(F)(F)F)n2)c(C)n1C1CCCCC1	773115959	KDOSGDWQCBHVED-GZTJUZNOSA-N	419.451	4.915	50	20	HJGD	
O=C(NNc1c(F)cccc1F)C(=O)Nc1cccc(CSC2CCCCC2)c1	773713582	KRWDKYDBJQMIBR-UHFFFAOYSA-N	419.497	4.613	50	20	HJGD	
C[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1cccc(N2CCCC2)c1	775549372	LEXRSHTUCGHEAP-QFIPXVFZSA-N	418.521	4.952	50	20	HJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCCO2)C(=O)c1ccccc1OC(F)F	775639141	LLNJSDXWOPGKGM-MDWZMJQESA-N	405.784	4.893	50	20	HJGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3nc2Cl)c1OC(F)F	777869084	GNQSBYYGMVPOQF-UKTHLTGXSA-N	414.799	4.739	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1	777869784	OAKGYXBXNCSKAF-CXUHLZMHSA-N	421.382	4.523	50	20	HJGD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NNc1ncccc1Cl	784817502	YGXCCBSRUSIDFV-UHFFFAOYSA-N	418.950	4.550	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCCC(=O)O	784961573	GZFQZCYABRUDTK-GZTJUZNOSA-N	406.463	4.736	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	787325270	LFTMIHKBQSYHLV-GPLLRDDGSA-N	407.470	4.748	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1cc(F)c(F)c(F)c1	790840140	NHXORSIWSMHMKS-UHFFFAOYSA-N	409.408	4.527	50	20	HJGD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1	791147542	DGEMTAPAJJXTBI-UHFFFAOYSA-N	422.420	4.972	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)c1	791272707	LOLJGDGIQHQYQT-QBFSEMIESA-N	424.501	4.804	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)OC)c2C)c1C	798055344	BKWICQDBYIZRKN-UYRXBGFRSA-N	408.502	4.937	50	20	HJGD	
Cc1ccc(-c2nc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)sc2C)s1	798954396	WVEFABJOAPVLIP-CHHVJCJISA-N	407.524	4.553	50	20	HJGD	
COc1cc(C(=O)NN=C(C)CC(C)(C)c2c[nH]c3ccccc23)cc(OC)c1OC	799465460	FCBHVDJCHZPFQJ-UHFFFAOYSA-N	423.513	4.667	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1ccc(-c2ccccn2)cc1	810331143	FAKKMRYZLKGQLQ-UHFFFAOYSA-N	401.239	4.799	50	20	HJGD	
Cn1ccnc1[C@@H](NCc1ccc(OCCCCl)cc1)c1ccc(Cl)cc1	811473400	XVDILNXGVWZKPS-FQEVSTJZSA-N	404.341	4.960	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3c(C)nn(C)c3Cl)n2)cc1	812488199	UEVHYWOSCJRLRB-DHDCSXOGSA-N	411.918	4.614	50	20	HJGD	
CCOc1ccc(NNC(=O)Cc2csc3ccc(Br)cc23)cc1	817909094	USPKEZCHGUXKJU-UHFFFAOYSA-N	405.317	4.748	50	20	HJGD	
COc1cc(C)nc(NNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)n1	857459349	JWNBCCAWKJCSKD-UHFFFAOYSA-N	419.268	4.650	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1[C@H](C)c1ccccc1	914459259	PWGCRNZUGMTPLN-GWKODMSMSA-N	419.569	4.692	50	20	HJGD	
CCCN(Cc1ccc(C#N)cc1)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	914512159	JPYOQVUYPKFWBM-NZYROCMPSA-N	418.541	4.530	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1csc(Br)c1	914554632	OHZNDJBXIKJEOP-UHFFFAOYSA-N	415.312	4.707	50	20	HJGD	
COCc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	916058514	SPTMSGTXZAQOOQ-DEDYPNTBSA-N	403.457	4.925	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cncc2ccccc12	917791825	WPGLLRUPOHHNPY-UHFFFAOYSA-N	424.835	4.538	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(Br)c([N+](=O)[O-])c3)c[nH]c2c1	920068171	KLLOLEOTPDLLIX-NTUHNPAUSA-N	410.227	4.937	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1	1787655687	MWELBKOYWREARD-CQSZACIVSA-N	409.368	4.588	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3F)CCC2)cc1	1790493846	ZDVUEKYKPSJPED-HXUWFJFHSA-N	423.315	4.810	50	20	HJGD	
CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(Cl)Cl)n[nH]2)cc1	1822421712	XAVFLYBKYZMKQD-INIZCTEOSA-N	423.344	4.643	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cscc2C)CC1	1827802831	SGCTWPQHYIDSGJ-MOPGFXCFSA-N	411.011	4.697	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C)c2)CC1	1830303490	NECLETBVFNSSDD-VXKWHMMOSA-N	419.009	4.565	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1	1831560975	ILWFMDGKZXSZGW-VBSBHUPXSA-N	414.993	4.747	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc2c1OCO2	7158888	DGIKCKIACSZKPF-GZTJUZNOSA-N	414.417	4.762	50	20	HJGD	
CCn1c2ccccc2c2cc(NC(=O)/C(C#N)=C/c3cc(C#N)n(C)c3C)ccc21	301218050	KHVNGWAKURCBOC-WOJGMQOQSA-N	407.477	4.879	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCN(Cc2nc3ccccc3s2)CC1	302709788	OCMWRLGJLHBMFP-MRXNPFEDSA-N	421.657	4.655	50	20	HJGD	
CSc1ccccc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	731479553	XEHSRZOKDIERSH-UHFFFAOYSA-N	405.239	4.947	50	20	HJGD	
CCc1oc2ccccc2c1C=NNC(=O)c1ccc(OC)c(Br)c1	731935088	RLQLFPBZSFKBMI-UHFFFAOYSA-N	401.260	4.530	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC[C@H](n2ccnc2)C1	732416673	NKBMXSWGAVLIFE-SWLSCSKDSA-N	418.872	4.971	50	20	HJGD	
Cc1cc(OCc2ccc(C(=O)NN=Cc3cnn(C(C)C)c3)cc2)ccc1Cl	732710104	FBCFJKUUALMOAJ-UHFFFAOYSA-N	410.905	4.769	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3ncc(C(C)C)o3)c2C)cc1	733378253	XKRGQPYDEPHEAJ-YBFXNURJSA-N	419.481	4.865	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3C)o2)cc1OC	734306027	JSURZJDTDJDTDY-PTNGSMBKSA-N	406.413	4.957	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)o1	734306848	UCDARSHZAGBHLN-GHRIWEEISA-N	417.440	4.642	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1Cl	741451835	PQYUYFRQCOOSTP-UHFFFAOYSA-N	416.868	4.723	50	20	HJGD	
Cc1cc(CSc2ccccc2C(=O)NNC(=O)c2cccc3ccccc23)on1	741573451	CZXWXYZYTLMYEU-UHFFFAOYSA-N	417.490	4.503	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ncc(C(C)(C)C)s2)c(C)n1C[C@H]1CCCO1	742807049	XBTMTHBLRSCJGB-DAIOKFOQSA-N	412.559	4.584	50	20	HJGD	
CCOc1cccc(NC(=S)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1	742997709	BHFPTXILTXTYLW-UHFFFAOYSA-N	406.511	4.775	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cccc(C#N)c3)c3ccccc3n2)cc1OC	748046391	QOFMGLZIBDXZER-UHFFFAOYSA-N	424.460	4.548	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCc3ccccc3C2)cc1	748711144	QHXNUDJQZXRREL-UHFFFAOYSA-N	422.872	4.568	50	20	HJGD	
CC(C)(C)C(=O)Nc1ccccc1C(=O)NNc1ccc(Br)cc1Cl	748775604	BIJUZEBPNZGMNG-UHFFFAOYSA-N	424.726	4.844	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(O[C@@H](C)CC)c2)cc1	749451539	IKPKLQPDLDDOAT-HUCUOGIVSA-N	422.481	4.595	50	20	HJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)Nc3nc(-c4ccncc4)cs3)co2)cc1	749887899	ZWSHWBLKWXVMIE-LICLKQGHSA-N	413.462	4.714	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)NNC(=O)CCCc2ccccc2)cc1	755570999	PPFQXNTXPAWKKR-UHFFFAOYSA-N	419.481	4.663	50	20	HJGD	
O=C(NNC(=O)c1ccoc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1	764748350	NVGDJKDJHZZGKI-UHFFFAOYSA-N	421.305	4.954	50	20	HJGD	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1cnc2ccccc2n1	765995718	BTYQDORAHFDYRG-UHFFFAOYSA-N	414.252	4.657	50	20	HJGD	
Cc1ccc(Cc2nc(C(=O)NNc3cccc(Br)c3)cs2)cc1	768301205	YKDWCCIQCMVRJA-UHFFFAOYSA-N	402.317	4.562	50	20	HJGD	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NNc1cc(C#N)cc(Cl)n1	768711712	RROIIKSCXXUKJO-QMMMGPOBSA-N	401.706	4.537	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1	775616525	ADQHUWUXCPOWRR-UHFFFAOYSA-N	421.950	4.736	50	20	HJGD	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	776646552	YLYKEERLNMDHFS-XDHOZWIPSA-N	402.425	4.964	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1coc(-c2ccc(Br)cc2F)n1	779239700	AKUMJXMJRAEPIJ-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
COc1ccc(C(=O)c2ccccc2C(=O)NNc2cccc3c2CCCC3)cc1	781348515	JGRXIQXWENHKGW-UHFFFAOYSA-N	400.478	4.562	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC(CCCO)CC1	782552697	RYVBJIWOGHAUKN-OAHLLOKOSA-N	410.889	4.922	50	20	HJGD	
C[C@@H]1CC[C@@H](CC(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783463886	XBMYYNRVHBZSQO-GHMZBOCLSA-N	407.426	4.975	50	20	HJGD	
CCOc1cccc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)c1OC(F)F	786108183	WZJWGCBMKZAQRJ-GDNBJRDFSA-N	406.816	4.563	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1	787146578	ZSAJRTRCDDEGDI-WSDUQJHMSA-N	417.490	4.713	50	20	HJGD	
Cc1nsc(N2CCN(Cc3ccc(CO[Si](C)(C)C(C)(C)C)cc3)CC2)n1	788021164	YSEJFUUHHLXHTN-UHFFFAOYSA-N	418.683	4.691	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccn(-c2cccc(C(F)(F)F)c2)n1	791726152	DPWCHMIHTDZDSH-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
COc1cc(NNC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)ccc1Cl	808916068	LONCVGCMAFRRTJ-UHFFFAOYSA-N	406.273	4.645	50	20	HJGD	
Cc1ccc([C@H](NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)C2CC2)cc1	810171396	JDWMFHKCALRBMA-HDFXIGACSA-N	417.553	4.767	50	20	HJGD	
Cc1cc(NNC(=O)c2c(C)ccc(Br)c2C)ccc1Br	815854613	JOISFKLTZOVWNK-UHFFFAOYSA-N	412.125	4.894	50	20	HJGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014111	RVUZBYNQAFSIRW-UHFFFAOYSA-N	420.235	4.531	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2-n2cncn2)c(C)n1C1CCCCC1	914452318	NTZBKOWBLOEHPO-MOSHPQCFSA-N	414.513	4.737	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)c2ccccc2c1=O	916326112	ZWGKVNRQHPHFNY-QZTJIDSGSA-N	408.546	4.663	50	20	HJGD	
O=C(NCC1CCCCC1)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918238413	FGSPZULCZHQTKC-INIZCTEOSA-N	408.873	4.541	50	20	HJGD	
COc1cc(C)c(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1OC	921189430	JKKHNZJRNKYDIT-NHDPSOOVSA-N	423.557	4.652	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)c1sc2nc(C)cc(C)c2c1N	921258681	MQXNZTLVEPZEDU-UHFFFAOYSA-N	423.325	4.575	50	20	HJGD	
CCOc1ccsc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](Cl)CC)CCC2)cc1	1785774346	OWBXRCJYLSKSLC-INIZCTEOSA-N	420.962	4.912	50	20	HJGD	
O=C(Cc1ccccc1Cl)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1787749288	QUAWKPLASPGAKM-GOSISDBHSA-N	409.288	4.551	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3F)CCC2)cc1	1790488395	NJSVTIOXSTULEL-GOSISDBHSA-N	420.887	4.659	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccccn3)cc2)CCC1	1791939262	UKAVZZFMZBBCCB-VQIMIIECSA-N	413.949	4.727	50	20	HJGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(C)c1Cl	1803534411	KNQJIWNHVLOSOC-XFMPKHEZSA-N	417.764	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)cc2F)[nH]n1	1815322040	KGPLTSNNFIEPHW-QAPCUYQASA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2ccccc2)n[nH]1	1823492519	XZFHXCQZUDXSQE-VDZJLULYSA-N	416.953	4.613	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1	1824015435	PJZFBLXKMDBWFY-LJQANCHMSA-N	411.030	4.842	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)CCCC[C@H]1CCSS1	11385639	MWLQWRJFPCBCJC-ZDUSSCGKSA-N	417.980	4.853	50	20	HJGD	
CCc1oc2ccccc2c1CN(C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727846655	HSGFYEAFOARDCM-UHFFFAOYSA-N	420.296	4.788	50	20	HJGD	
CCn1cc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cn1	733785609	MEPYRZURGJFQPT-RGVLZGJSSA-N	421.932	4.530	50	20	HJGD	
O=C(Cc1cccc(OCc2ccccc2Cl)c1)NNc1ncccc1Cl	734247341	DRRSJUVFJOXTPA-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)c(C)n1CC(C)C	734350056	MPQDRIYVJSVESZ-JCHYSQADSA-N	419.569	4.952	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cccc(Nc2ccccc2)c1	735661825	OAKWSQIDVJUYQZ-UHFFFAOYSA-N	405.845	4.891	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c1C	743296564	DBEAESCUDBXXCM-CYBMUJFWSA-N	409.477	4.834	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNc3ccc(Br)c(C)c3)c2)cs1	743417100	XLFGTGLAINHGPT-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1	743442177	RYFSXWSUNJYVNX-VQTJNVASSA-N	400.906	4.542	50	20	HJGD	
COc1sc(/C=C(\C#N)c2nc(O)c3c(C)c(C)sc3n2)cc1Br	746522589	OVLXKDQEVRWLFI-RUDMXATFSA-N	422.329	4.911	50	20	HJGD	
Cc1ccccc1-n1nc(C(=O)NNc2cc(Cl)ccc2Cl)c2c1CCC2	752811349	LOIHGXSYLIYVIZ-UHFFFAOYSA-N	401.297	4.733	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cccnc1Sc1ccccc1	771680752	HDOQWILHSWLSJH-UHFFFAOYSA-N	418.291	4.891	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc(F)cc1C(F)(F)F	771876730	CLKTZCLPMFZUBO-UHFFFAOYSA-N	407.392	4.661	50	20	HJGD	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NNc1ccccc1[N+](=O)[O-]	775598429	FMXOHRTXZOXOGG-UHFFFAOYSA-N	417.425	4.503	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	777478480	DJYFBGKAUMBCND-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
O=S(=O)(N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1cccc(S(F)(F)(F)(F)F)c1	777995917	ASOASUNNGRALBX-BFHYXJOUSA-N	407.426	4.580	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2cc3sc(Nc4ccccc4)nc3s2)c1	780795297	GDSUKDSTHVRNOU-UHFFFAOYSA-N	424.507	4.645	50	20	HJGD	
COCCc1ccc(Oc2ccc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)cc2)cc1	787333380	ZHRDOJXPTXUBTM-SILNSSARSA-N	414.461	4.919	50	20	HJGD	
CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	788718194	JWBGPTOVBBRXCQ-MISXGVKJSA-N	401.903	4.674	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)/C(=C\c1ccco1)NC(=O)c1ccccc1	791726225	FNFOKELINFVFSI-LDADJPATSA-N	416.264	4.501	50	20	HJGD	
N#Cc1c(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n[nH]c1C1CC1	792660347	FJDCDLXNRSUUBV-UHFFFAOYSA-N	414.381	4.617	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1C#N	799499160	RFPSLMSZVLNJNQ-QNKXHIPISA-N	400.265	4.658	50	20	HJGD	
Cc1ccc2oc(C(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)cc2c1	804208201	BNVBXJHMXHZPSG-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
COCCOCc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	809147513	PAKDTLBRDDLKIH-YBEGLDIGSA-N	405.281	4.702	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccc(OCC(F)(F)F)cc3)cc2)n1	810685908	CSBDQEINUCRONL-UHFFFAOYSA-N	422.432	4.893	50	20	HJGD	
CC(CCCO)=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	814705548	FOJJMWHXRPQPGM-UHFFFAOYSA-N	402.494	4.811	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)cc2nccnc12	817013280	FUZJRYSMCLLTSC-UHFFFAOYSA-N	418.272	4.563	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1	857576669	NOPJGEFQSIOEIT-PDGQHHTCSA-N	419.456	4.796	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	864800720	DDBHNMJQKVHCMA-CSRGTXSUSA-N	412.445	4.956	50	20	HJGD	
CC(C)n1ncc2cc(C=NNC(=O)Cc3cccc4ccccc34)c(Cl)nc21	874105402	PFYJRWIBKDDVAD-UHFFFAOYSA-N	405.889	4.512	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC3CCCC3)cc2)c1C	913016182	QFPFBUHQRHISDT-HKWRFOASSA-N	407.514	4.618	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1	915268679	GXHVQNMGVPUOHT-UHFFFAOYSA-N	408.571	4.968	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1cccc(O)c1	916287869	VVCWJSUNNJTUSY-UHFFFAOYSA-N	416.506	4.715	50	20	HJGD	
Cc1ccccc1C(=O)NN=Cc1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl	916362000	NOSIAYKFHJHFIS-UHFFFAOYSA-N	420.822	4.925	50	20	HJGD	
COc1ccc(F)cc1[C@H](C)NC(=O)NNc1nc(Cl)c(Cl)cc1Cl	916591701	DXLVNGPIGLHPDK-ZETCQYMHSA-N	407.660	4.577	50	20	HJGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12	920049280	QAYKCLSIKCAHNI-SJORKVTESA-N	404.514	4.589	50	20	HJGD	
CNc1ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)cc1	1786012007	VZYXKBXYMRFDOW-UHFFFAOYSA-N	413.949	4.741	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCSC3)CCC2)cc1	1786447940	SMQHARMKOQWRLG-YJBOKZPZSA-N	408.995	4.671	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4nc[nH]c34)cc2)CCC1	1788430327	HFJVQQVNIRZDCQ-GOSISDBHSA-N	424.932	4.718	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]3C)cc2)CCC1	1789207065	VOCZGSLJXDLMCJ-IIDMSEBBSA-N	421.379	4.588	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1	1790490167	WUSFAUQYUIUMCU-HXUWFJFHSA-N	409.917	4.518	50	20	HJGD	
Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)ccc1F	1790666412	AKFMCZIVAVFSKF-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2cccs2)n[nH]1	1822703829	OTKFTBNABNEPGO-DZKIICNBSA-N	422.982	4.675	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2)CC1	1830058274	MRQFRGORMDPDJL-SFTDATJTSA-N	404.982	4.636	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)CC1	1832400885	CASFNDWRXBJEPZ-CVDCTZTESA-N	409.014	4.618	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1	1832474548	VTYXMYKLLFYFJJ-WOJBJXKFSA-N	409.014	4.594	50	20	HJGD	
Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1832725266	NIXINXIEQBYMMU-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NNC(=O)c1ccccc1F	15426993	GHXGNUYIVZSNPY-UHFFFAOYSA-N	419.431	4.507	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCC#N)c(C)n1-c1ccc(Br)cc1	23076081	JSUFDMWDJRWHDB-SFQUDFHCSA-N	412.287	4.611	50	20	HJGD	
CN1CCC2(CC1)C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccc1O2	302716777	CIPHKBYCTSOVIV-PKOBYXMFSA-N	420.644	4.805	50	20	HJGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1sc(-c2cccnc2)nc1C	727778970	KJMGSBQBGRCZRR-UHFFFAOYSA-N	405.310	4.974	50	20	HJGD	
CC(C)Sc1ccc([C@H](C)NC(=O)NNC(=O)Cc2cccc3ccccc23)cc1	729054328	RHMKEJTXWXDRDZ-KRWDZBQOSA-N	421.566	4.974	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCCc1ccc(Br)cc1F	731010764	MSMBUZHHTOIFPV-CQSZACIVSA-N	406.386	4.961	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C	733924079	LODAKERRUKZZAD-UHFFFAOYSA-N	410.905	4.552	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCCc1nc(-c2cccc(Cl)c2)no1	734136910	PZCPQXNXYSXVLP-HNNXBMFYSA-N	411.980	4.763	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NN=Cc2sc(N3CCCC3)nc2Cl)cc1	735970604	JTICUIYZCPUOBW-UHFFFAOYSA-N	420.966	4.586	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](N3CCCC3)CC2)c(C)n1C1CCCCC1	737691735	NTNVIFRGQGIXAK-WLUIYZDRSA-N	422.617	4.994	50	20	HJGD	
CN(C)c1ccc(NC(=O)NNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1	741856109	HRNFWZUCSXCOCO-UHFFFAOYSA-N	421.526	4.568	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)[C@@H]1SCCc2sccc21	743335619	WFRMHUZBIKKRHB-CYBMUJFWSA-N	403.754	4.638	50	20	HJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)o2)cc1	746894597	XBWGNBPFEWMAMW-UHFFFAOYSA-N	414.387	4.616	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1C	747094149	PGVXLVQFMWLBQX-MOSHPQCFSA-N	406.486	4.521	50	20	HJGD	
Cc1cnc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)s1	750087164	BEHOMBKSKISJPY-BFERYNQYSA-N	408.502	4.783	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(NC(=O)C2CC2)cc1	752871623	UQTUTINRTRYYQV-LLVKDONJSA-N	407.301	4.729	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ccc(C#N)c(Cl)c2)cc1C	753296891	HGXGEGRSXWUGIT-UHFFFAOYSA-N	403.869	4.816	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(-c2ccccc2)nn1)c1ccc(C(F)(F)F)cc1	754469039	CHXSHLDHAIGQCK-CQSZACIVSA-N	400.404	4.799	50	20	HJGD	
O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)NNc1cc(C(F)(F)F)ccc1F	754572976	MDFJOIPFDJCADA-KSSFIOAISA-N	411.399	4.639	50	20	HJGD	
N#C/C(=C\c1ccc(Br)c(Br)c1)C(=O)Nc1ccccc1F	757526026	KEGRLMDALJDSQI-YRNVUSSQSA-N	424.067	4.896	50	20	HJGD	
Cc1ccc(COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1C	758341646	LDVLWJVWUBDDPM-HYARGMPZSA-N	410.477	4.731	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1)c1ccccc1	759668150	ZJGKLLFHKBASFE-JOCHJYFZSA-N	418.541	4.958	50	20	HJGD	
Cc1sc(C(N)=O)cc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	769272853	GYRFQYOZJSFDFM-YVLHZVERSA-N	410.543	4.625	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1Cl	769966789	YXNXVVQKQQXNRP-OAHLLOKOSA-N	413.268	4.587	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1	770027713	RMLFGEIXZJHBMF-UHFFFAOYSA-N	421.950	4.736	50	20	HJGD	
N#Cc1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c(F)c1	772833023	LDOKIPOEBPWMMR-UHFFFAOYSA-N	412.399	4.816	50	20	HJGD	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNc1ncc(Cl)cc1Cl	775269323	IJDGTTVODDTPDG-UHFFFAOYSA-N	411.289	4.640	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cccc(C2SCCS2)c1	775471784	YLXWLLMHRFXLOY-UHFFFAOYSA-N	400.451	4.728	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)c1C	794101793	YGSCPMRPDMGPKG-LDADJPATSA-N	424.476	4.546	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccc(-c2ccccc2C(F)(F)F)o1	805466701	WYTZQHBUUFOBGN-UHFFFAOYSA-N	402.376	4.780	50	20	HJGD	
O=S(=O)(NCc1noc2c1CCCC2)c1ccc(S(F)(F)(F)(F)F)cc1	808325538	JCVAEOWHEKBQSD-UHFFFAOYSA-N	418.409	4.689	50	20	HJGD	
COc1cccc(-c2noc([C@@H](C)NC(=O)NNc3c(C)cccc3C(C)C)n2)c1	813089421	RVOXEJKHZDCWPS-OAHLLOKOSA-N	409.490	4.564	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OCC	834741664	QDRPJQMWIKFIAH-GDNBJRDFSA-N	421.335	4.602	50	20	HJGD	
COC(=O)c1ccc(Cl)c(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	899889496	DJJGOGXVBISDHD-NVMNQCDNSA-N	413.905	4.747	50	20	HJGD	
CCOc1cccc2cc([C@@H](C)NC(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)oc12	916201231	IURRCUZUVLLZCB-OAHLLOKOSA-N	423.513	4.834	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cn1	916400062	ORBMUHNFKSZDNY-KEBDBYFISA-N	404.901	4.674	50	20	HJGD	
Cc1ccc(NC(=O)[C@H](NNC(=O)c2ccc3ccccc3c2)c2ccccc2)cc1	917937212	DJSPCGUYAIHNDI-XMMPIXPASA-N	409.489	4.763	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(F)cc2F)c1C	918817294	DTIGXYWOKHHGFB-WRGQDFSISA-N	402.441	4.802	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCN(c3ccccc3)CC2)c(C)n1CCC(C)C	919699812	HADWBWSKJDZDMW-QJOMJCCJSA-N	418.585	4.843	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(C(C)C)no2)c(C)n1-c1ccccc1F	920493075	MILGNNGHMCZJLZ-GYXHFJGISA-N	422.460	4.951	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2oc3ccccc3c2CSc2cccs2)n1	921306674	ONDBNSHGCUXOTO-UHFFFAOYSA-N	410.524	4.950	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1nc(-c2ccc(F)cc2)n2c1CCCCC2	1116496744	RCCXBDTVSGCTIJ-UHFFFAOYSA-N	415.472	4.721	50	20	HJGD	
CNC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c(C)c1	1337687969	LSXFGZJEMRLWMF-KGENOOAVSA-N	418.541	4.824	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2F)CC1	1830552628	RQLBKQBHCFGXHW-TZIWHRDSSA-N	422.972	4.775	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1	10105659	QKARKFOIDWLDFI-UHFFFAOYSA-N	415.276	4.647	50	20	HJGD	
C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	207733321	NMERRDSGFRGICX-NODXGKJPSA-N	406.492	4.739	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1	214856345	ZVNBHXAMDGXJCQ-KDVQLTRESA-N	417.292	4.629	50	20	HJGD	
COCCOc1ccc(F)cc1NC(=O)NN(Cc1ccccc1)c1ccccc1	727591011	LBKHJZPOGFKUCI-UHFFFAOYSA-N	409.461	4.594	50	20	HJGD	
CC(C)(C(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1ccccc1Cl	728797930	STEGATOSKJTZBS-UHFFFAOYSA-N	422.912	4.511	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCO[C@H](c3ccccc3)C2)c1C	729835459	MSFQQJSEPVPTSD-ZBDCHNAPSA-N	405.542	4.802	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	730274347	CSQUYXVSHSTLDE-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCO2)C(=O)c1ccc(Br)s1	730435734	AGFJWPWZBUCXSY-YHYXMXQVSA-N	410.676	4.725	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccnc(-c3ccccc3)c2)c1C	732150889	KDGJBWOTJBBNOV-MNOULKQQSA-N	414.509	4.920	50	20	HJGD	
COc1ccc([C@H](Cc2ccccc2C)NC(=O)NNc2ccccc2)cc1OC	734273854	PHPAIOXMWZRDKC-NRFANRHFSA-N	405.498	4.622	50	20	HJGD	
Cn1c(C(=O)NNc2cc(F)c(F)cc2F)ccc1-c1ccc(Br)cc1	734552361	UCVHMJWEHGWJAU-UHFFFAOYSA-N	424.220	4.629	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccc(COc2ccc(Br)cc2)o1	735694279	KHBRZQWXLXVSRK-UHFFFAOYSA-N	423.213	4.656	50	20	HJGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NNc1ccc(Br)cc1Cl	738528599	GBTZVJKLDNZEJL-UHFFFAOYSA-N	424.657	4.962	50	20	HJGD	
Cc1cccc(C(C)(C)CNC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1	745100742	WRMPXGOOZBPXMW-IGSWSUAKSA-N	419.569	4.593	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1ccc(COc2ccc(Br)cc2)o1	748098975	OKKNVJCVWWJFSR-UHFFFAOYSA-N	405.223	4.517	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccccc1CSC1=NCCS1	748506696	FCLJWZCOXIRNGV-UHFFFAOYSA-N	411.474	4.798	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@H](OC1CCCC1)c1ccccc1	748694543	OHHBOTHHTQBWIM-LJQANCHMSA-N	408.420	4.771	50	20	HJGD	
O=C(NN=Cc1cnc(-c2cccs2)s1)c1cc(F)ccc1Br	751528202	ALFDUXKAMVJDFC-UHFFFAOYSA-N	410.293	4.537	50	20	HJGD	
CN(C)[C@]1(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCSC1	752971970	GIXOVXVWVIIITR-AWEZNQCLSA-N	405.458	4.903	50	20	HJGD	
C=CCc1cc(C(=O)NNc2ccc(Br)cc2CC)cc(OC)c1OC	753176176	ITPXWAHYLLEJAU-UHFFFAOYSA-N	419.319	4.514	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	754403748	HPZQZNYCXTXZDV-PUPMMZHASA-N	420.884	4.985	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c1Cl	758912304	VJSDSUGXSQMFRS-ALCCZGGFSA-N	423.609	4.945	50	20	HJGD	
CSC[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762665703	AFIYEEPRFJWGIN-NSHDSACASA-N	404.426	4.637	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c1C	765323956	VQEJJVOSPFWXJY-ZYBMPSBHSA-N	405.542	4.849	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)-c1ccccc1C2	767863460	ZEDOEDZQZLFHQY-UHFFFAOYSA-N	413.355	4.942	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(-n2ncc3ccccc32)cc1Cl	768090440	LZRZCSOWMOCBAQ-UHFFFAOYSA-N	416.790	4.853	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2coc(-c3ccccc3)n2)c1C	768747336	KYIZMSIOCRQTRJ-BYINCCNUSA-N	419.481	4.618	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCc2cn(C)nc2C(F)F)c1C	770305520	POQCHQPRLVXAQO-VCHYOVAHSA-N	424.451	4.724	50	20	HJGD	
CS(=O)(=O)[C@H]1CCCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	770741834	YMNSZUCPARUTNE-LBPRGKRZSA-N	422.441	4.775	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(-c2ccccc2)n1	771521278	SRACJRGTXSQIIC-RVDMUPIBSA-N	410.449	4.947	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1ccnc(Br)c1	771562877	ZWZHRTVUAVEZKX-UHFFFAOYSA-N	423.723	4.686	50	20	HJGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1OC(F)F	777871231	JXYVAHRQADRLDM-UKTHLTGXSA-N	407.214	4.905	50	20	HJGD	
COCc1cccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777883570	APOPGCVYYWPGTN-UHFFFAOYSA-N	417.421	4.969	50	20	HJGD	
Cc1cnccc1CCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778022267	IWYRZTBJGMAYME-UHFFFAOYSA-N	402.410	4.568	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1	780803198	BQZKCBJPWPKHIJ-UHFFFAOYSA-N	411.509	4.989	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)cc1	782068460	CFJSPERBVNCNPU-LICLKQGHSA-N	405.479	4.636	50	20	HJGD	
N#C/C(=C/c1cccn1Cc1ccccc1C#N)C(=O)Nc1ccccc1C(F)(F)F	782198273	ZRIACKAQZRPGNU-PDGQHHTCSA-N	420.394	4.973	50	20	HJGD	
CS[C@@H](C)CCC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783461759	WFFNOYJEMVVFAS-VIFPVBQESA-N	413.455	4.681	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1C(=O)N(C)C(C)C	786054669	ZYGDVHFRGWSKJC-UHFFFAOYSA-N	409.317	4.931	50	20	HJGD	
CC(C)CCOc1ccc(NC(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	792445092	PUJJCWDXZGJKDF-UHFFFAOYSA-N	410.301	4.500	50	20	HJGD	
O=C(NC[C@H]1CCCSC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	807519900	SSSCZGWXIJFUDF-SNVBAGLBSA-N	404.426	4.542	50	20	HJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)Cc1c[nH]c2ccccc12	914559578	PVPFDLQEPSCVAQ-UHFFFAOYSA-N	419.916	4.823	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)c3nc4ccccc4n3C)o2)c([N+](=O)[O-])c1	915849152	DUASEUXSTVUFCH-KAMYIIQDSA-N	400.394	4.814	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1	916605977	YQBYKIHIVHQODB-IAFWPLRWSA-N	416.477	4.776	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(C(F)(F)F)c1	918183257	KUYPRSGSOFVZGL-ZDUSSCGKSA-N	407.436	4.708	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(OC(C)C)cc2)c(C)n1C[C@@H]1CCCO1	918532473	ULJUOEYYUQHWFG-JGTYQCAFSA-N	422.525	4.722	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@H](O)COc1cccc(Cl)c1Cl	920350205	YIMWGQBIKOEIES-CHWSQXEVSA-N	424.415	4.563	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1csc(Cc2ccc(Cl)cc2)n1	1251162397	ULCIGSCXGAPNDQ-UHFFFAOYSA-N	422.735	4.907	50	20	HJGD	
COc1ccccc1NCC(=O)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	1317712925	YSAMELQZOYSWRQ-UHFFFAOYSA-N	418.280	4.824	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2C)n[nH]1	1814599953	XCOADMXWTBRNHJ-PBHICJAKSA-N	423.344	4.695	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl	727791790	WORYZRQAFQDPFL-QMMMGPOBSA-N	406.096	4.865	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-]	730151894	SOQPGGPDXLPGHZ-GHRIWEEISA-N	415.405	4.941	50	20	HJGD	
O=C(CCOc1ccccc1F)NNc1ccc(Br)cc1C(F)(F)F	731477799	OHEPURDGIFLPKD-UHFFFAOYSA-N	421.188	4.519	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1	733281640	WZOIAMIZDMQQAL-SSZFMOIBSA-N	420.856	4.867	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(COc2cccc(F)c2)c1	733888997	PWZFCGTVMLLRER-UHFFFAOYSA-N	401.869	4.709	50	20	HJGD	
CC(C)(C)c1cc(CCC(=O)NNc2nccnc2Cl)cc(C(C)(C)C)c1O	734260930	BLFKGSMYGRZWNA-UHFFFAOYSA-N	404.942	4.507	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NNc3c(F)cccc3F)s2)cc1	735759594	YSIKVCINRALZQV-LBPRGKRZSA-N	418.469	4.793	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1	735853853	UGTJIWHFCIKEGO-UHFFFAOYSA-N	423.369	4.754	50	20	HJGD	
C[C@@H]1CC(=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CCN1C	741454332	ZZVWUCKWSRADNR-OAHLLOKOSA-N	424.595	4.789	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2cnccn2)cc1)C(=O)Nc1ccccc1Br	743057417	RKOUXJPCEGFRBZ-PTNGSMBKSA-N	421.254	4.577	50	20	HJGD	
Cc1cc(C)c(NNC(=O)NCc2ccccc2CN(C)Cc2ccco2)c(C)c1	745842329	IHCPIZRRWOZFQE-UHFFFAOYSA-N	406.530	4.663	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cc3ccccc3o2)c1C	746560039	JTVKHJSEDBTLRO-LASGFXPTSA-N	405.498	4.624	50	20	HJGD	
Cc1c(NNC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)cccc1[N+](=O)[O-]	748692741	FYOBQGBSPURDND-GFCCVEGCSA-N	416.890	4.729	50	20	HJGD	
O=C(CCCc1nc(-c2ccc(F)cc2)no1)NNc1cc(Cl)ccc1Cl	752811472	MLRBAXDYPGOVLB-UHFFFAOYSA-N	409.248	4.649	50	20	HJGD	
Cc1noc(C2CC2)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	753483611	JLKRLQJVBMWWNO-WOJGMQOQSA-N	404.445	4.953	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1cccc(CSC2CCCC2)c1	756709379	XXRCHRRCYDLNCA-UHFFFAOYSA-N	420.538	4.877	50	20	HJGD	
COc1cc(/C=C(\C#N)c2ccncn2)cc(Br)c1OCc1ccccc1	758911770	KXMXFXNOVIIEHH-RQZCQDPDSA-N	422.282	4.891	50	20	HJGD	
COc1nccnc1NNC(=O)c1oc2ccccc2c1CSC1CCCCC1	764469935	OFFZRZBYRUBCBC-UHFFFAOYSA-N	412.515	4.554	50	20	HJGD	
CCOCc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)ccc1OC	765613121	HDCQDMRZARZCLA-ZSOIEALJSA-N	417.259	4.967	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)cc1	767256749	VGGHNGCSVUACKM-JYRVWZFOSA-N	402.328	4.506	50	20	HJGD	
CCOc1cc(Br)c(NC(=O)NNc2ccccc2F)cc1OCC	769976633	CIYQJTTUIGGKIO-UHFFFAOYSA-N	412.259	4.534	50	20	HJGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NNc1c(F)cccc1Cl	770810350	LCLGRSKSWYGDID-UHFFFAOYSA-N	409.914	4.760	50	20	HJGD	
O=C(Cc1cccc(OCc2cccnc2)c1)NNc1cc(Cl)ccc1Cl	770811817	PMWKVHSXZMTGIK-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc(C2CC2)nc2ccc(Cl)cc12	775252020	MIEUOVKYFFJPFJ-UHFFFAOYSA-N	406.795	4.936	50	20	HJGD	
N#Cc1ccc(NNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1	775984702	WEWOJIMRPIAODL-AWEZNQCLSA-N	402.298	4.507	50	20	HJGD	
CN(C)c1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1	777685298	ZRVHGWIYQLNQCY-UHFFFAOYSA-N	403.398	4.606	50	20	HJGD	
CC(C)c1cc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)on1	777948522	SVEJLPHVNVNFIO-UHFFFAOYSA-N	406.398	4.934	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1cccc(CCC(F)(F)F)c1	783367762	JJZFAUXINRIZLC-UHFFFAOYSA-N	420.218	4.570	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1	786040473	NSMZPENEFXIADL-GZTJUZNOSA-N	420.328	4.717	50	20	HJGD	
Cc1ccc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)nc1	789867357	NKVIBEFGLHAWLJ-UDWIEESQSA-N	402.473	4.502	50	20	HJGD	
C=C(CBr)COC(=O)c1csc(-c2ccc(Br)s2)n1	795514420	JBOVZSSYEFSIMU-UHFFFAOYSA-N	423.151	4.742	50	20	HJGD	
CSc1cccc(COC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	797043145	MHEVHQHYYLMPNW-OCBOALCKSA-N	410.539	4.656	50	20	HJGD	
O=C(NNC(=O)c1csc(-c2cccs2)n1)Nc1ccc(Cl)cc1Cl	802089964	VRWFXHANVDOTNA-UHFFFAOYSA-N	413.311	4.645	50	20	HJGD	
C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	807404287	LAUVNDSMDKNQPZ-UHFFFAOYSA-N	418.387	4.945	50	20	HJGD	
Cc1ccc(NNC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1	912596645	RATCJNCQGYFVES-GOSISDBHSA-N	408.329	4.590	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(OC(C)C)c(OC)c2)c1C	914841909	ABENSTBEHCLKBG-FYJGNVAPSA-N	409.530	4.534	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NCCCC(C)C)c3ccccc3n2)cc1	916437786	HWZVWTAWTKFFAF-UHFFFAOYSA-N	404.514	4.590	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1c(F)cccc1Cl	916973607	NVEBPLFWGXEVIJ-UHFFFAOYSA-N	424.819	4.754	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)cc1	918605040	ZQOAOBMORGMQDX-UQRWVXEISA-N	403.526	4.863	50	20	HJGD	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	919774726	AOUCQVZFEUTCRQ-LJQANCHMSA-N	416.525	4.958	50	20	HJGD	
O=C(NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccccc1Cl	1321556928	VTTGALSTDRSUFH-UHFFFAOYSA-N	410.823	4.632	50	20	HJGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1ccc(Br)cc1C(F)(F)F	1321830252	JZZCTDREULVMFS-SNVBAGLBSA-N	409.246	4.649	50	20	HJGD	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Br)CCC2)cc1	1786104266	IJBPPJWQUGWKDV-OAHLLOKOSA-N	419.363	4.672	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCC3(F)F)cc2)CCC1	1786464432	BDLVIAVTOPYONA-DLBZAZTESA-N	412.908	4.963	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N1CCC2(CCCN(C(=O)[C@H](F)Cl)C2)CC1	1810912957	NVWYIMUDCSCIAN-SFHVURJKSA-N	402.982	4.749	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Cl)n[nH]1	1820423249	RDRNUMMLGWWGTR-MRXNPFEDSA-N	423.344	4.634	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(F)c2)CC1	1824615625	OSGNMZUBTRFSAY-RTWAWAEBSA-N	422.972	4.775	50	20	HJGD	
CCOC(=O)NNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12	45631571	SJOOZWZCBPJGFI-UHFFFAOYSA-N	411.461	4.960	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c(C)n1C1CCCCC1	261418411	XLQQPGPLBDDEIA-BJLUOBIUSA-N	405.546	4.646	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12	730767865	QEXDJUHVVGLSNK-WOJBJXKFSA-N	410.926	4.536	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNC(=O)CCc3ccccc3O)sc2c1	732678364	FWFUUUBRXCIJKX-UHFFFAOYSA-N	416.930	4.778	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c1C	737727526	DNXPPGMRPILTOU-QNGOZBTKSA-N	421.541	4.927	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(O)nc2cc(F)ccc12	739465206	CMUAUHQBOQQSRK-UHFFFAOYSA-N	400.624	4.797	50	20	HJGD	
N#Cc1cccc(OCc2ccoc2C(=O)NNc2ccc(Cl)cc2Cl)c1	748018391	AXYOTAAQWDEIFN-UHFFFAOYSA-N	402.237	4.794	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cccc(C#N)c2)cc1	748034128	JBABTVJFBRMGIP-UHFFFAOYSA-N	407.477	4.730	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nnn(-c2ccc(C)cc2)c1C	748673106	WROAEWILKMATCC-UHFFFAOYSA-N	405.527	4.834	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1csc(-c2ccc(F)cc2)n1	748702193	PCKMGYKVCROVTR-UHFFFAOYSA-N	411.380	4.647	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cccc3cnccc23)o1	748762938	KAEXQUNVKNVTSD-UHFFFAOYSA-N	409.449	4.746	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1cc2ccccc2o1	749473698	LGFNVAXPAXXCIC-CVEARBPZSA-N	417.490	4.554	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2)nc(-c2ccc(Cl)cc2)n1	752141982	AHOSWQZNSFMMDY-UHFFFAOYSA-N	417.694	4.625	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cc3sc4ccccc4c3s2)c1	753074889	KHZMQOZARCPRRY-UHFFFAOYSA-N	410.524	4.966	50	20	HJGD	
N#CCc1ccc(Oc2ccc(C(=O)NNc3ccc(-c4ccccc4)nn3)cc2)cc1	754473201	FBXOTJUSVQEHSE-UHFFFAOYSA-N	421.460	4.759	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1ccc(-c2nccs2)cc1	755452048	XFYADCFYKNNGKF-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)Nc1cccc(C2SCCS2)c1	755537240	YEGAPGUZOHGZQH-UHFFFAOYSA-N	423.563	4.714	50	20	HJGD	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NNC(=O)c1ccc2ccccc2c1	756055095	QZPLDWASBVZVEM-HNNXBMFYSA-N	410.543	4.776	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)c1	759312256	YMGCMZYBBACOQW-UHFFFAOYSA-N	408.433	4.544	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)c(F)cc2Cl)cc1	761052439	OFOKUUBMWDZYNH-DHDCSXOGSA-N	401.821	4.519	50	20	HJGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)[C@@H](C)C1	761255804	QUTICUXCKDQTTK-DZGCQCFKSA-N	402.491	4.639	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccc(OC(F)(F)F)cc3)cs2)cc1	761600057	SZUPXRVXPMWTGA-UHFFFAOYSA-N	407.417	4.703	50	20	HJGD	
COc1cc(/C=C(/C(=O)OC[C@H](C)CBr)c2ccccc2)ccc1O	770344468	LVFKEBPJXQBLOM-NGWPFTMJSA-N	405.288	4.516	50	20	HJGD	
Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NNc1cccc(C(F)(F)F)c1	772675205	BBEHZSHCUGAAOB-UHFFFAOYSA-N	411.334	4.533	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1	772795597	TVPWTULSKUWXRI-CQSZACIVSA-N	422.285	4.637	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1ccccc1OC(F)F	775638755	HHFSJFJEQLZBFC-XFFZJAGNSA-N	423.169	4.749	50	20	HJGD	
C[C@H](C(=O)NNc1ccc2ccccc2n1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	777462267	JPPQPKCGEXRACR-HRAATJIYSA-N	420.513	4.580	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccccn3)c3cnn(C(C)C)c3n2)c(C)s1	777472321	IAJXBJOTSLWBHE-UHFFFAOYSA-N	406.515	4.509	50	20	HJGD	
C[C@@H]1CCCCN1[C@H](C)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777879225	GEIZDVKHPKUFQN-CHWSQXEVSA-N	422.485	4.885	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(COc2ccc(F)cc2)o1	779209314	UOPODJGUWQBBRY-UHFFFAOYSA-N	410.323	4.653	50	20	HJGD	
CC(CCCCN(C)C)=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	781116747	ICOUZNWSHLKKCI-UHFFFAOYSA-N	406.505	4.879	50	20	HJGD	
CC(C)(C)[C@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1	794343228	UOXUSKSSYDMBBT-BARSGRSVSA-N	415.541	4.655	50	20	HJGD	
CCc1ccc(C(=O)NNc2c(Br)cccc2Br)s1	801503050	IWTPEIHTPMXCRI-UHFFFAOYSA-N	404.127	4.592	50	20	HJGD	
Cc1cc(F)c(C(=O)NNc2c(Br)cccc2Br)cc1F	801504073	ICYJDEYJBATWGO-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
O=C(Nc1cccc(C(=O)NN(c2ccccc2)c2ccccc2)c1)c1cccnc1	914836988	SWDOOSPYAWFWQB-UHFFFAOYSA-N	408.461	4.817	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3cccc(OCC#N)c3)n2)cc1	917622386	QHYURBFLAJEKET-XDHOZWIPSA-N	414.490	4.821	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)cc2)c1C	921259804	ZNCLVFJTXFCYER-OQLLNIDSSA-N	420.387	4.539	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c(C)n1C1CCCCC1	1318739706	GWSBUJIDWYORLK-JAIQZWGSSA-N	418.497	4.968	50	20	HJGD	
CC(C)c1csc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)n1	1788580593	USRMGWAPTRKYCJ-HNNXBMFYSA-N	409.914	4.549	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cc(F)cc(F)c1	1790331189	FSSDKHPSRZTSCG-UHFFFAOYSA-N	413.251	4.516	50	20	HJGD	
C[Si](C)(C)OCC(=O)NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1	1792039251	ACBGNKKEQXTPSK-UHFFFAOYSA-N	414.622	4.552	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2)CC1	1830058273	MRQFRGORMDPDJL-RTWAWAEBSA-N	404.982	4.636	50	20	HJGD	
O=C(CCc1nc(-c2ccsc2)no1)NNc1c(Cl)cc(Cl)cc1Cl	15423023	OAGFFRQIGGVODG-UHFFFAOYSA-N	417.705	4.834	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Cl)cc2C)c1C	21127640	IXJYSVWEFLIMHM-WOJGMQOQSA-N	413.905	4.566	50	20	HJGD	
COc1ccc(C(=O)NNC(=S)Nc2cc(C)ccc2C)cc1-c1ccccc1	51481027	ZJUQGBIDZBTYJU-UHFFFAOYSA-N	405.523	4.610	50	20	HJGD	
O=C1O[C@H](C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)Cc2ccccc21	97089027	XRWLPCZSGPUTHS-SUMWQHHRSA-N	415.820	4.626	50	20	HJGD	
N#C/C(=C\c1ccccc1-n1cncn1)C(=O)Nc1ccccc1Oc1ccccc1	726741343	FBOJFYOYTIJEDI-XMHGGMMESA-N	407.433	4.605	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1	728439286	GZIWOFRHTFWSFL-LZYBPNLTSA-N	414.446	4.961	50	20	HJGD	
CCSc1ccc([C@@H](C)NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1	728958706	BFGCYXCLZPTRTG-CQSZACIVSA-N	417.600	4.834	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1csc2ccccc12	730066505	KGBHYCOYYBBOSR-GFCCVEGCSA-N	419.959	4.738	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	730283804	HBOQOJJAMNLZBM-FQEVSTJZSA-N	404.482	4.526	50	20	HJGD	
O=C(NCCCc1c[nH]c2ccccc12)NNc1nc(Cl)c(Cl)cc1Cl	730909331	ALDKCGZFKLLWKU-UHFFFAOYSA-N	412.708	4.782	50	20	HJGD	
O=C(NNc1ncccn1)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1	731122376	HMRKZMPTXMKCHB-KRWDZBQOSA-N	420.275	4.533	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)C[C@@H](C)c3ccccc3C)cc2)cc1	734863320	RUIIWYUSFNIPSE-LJQANCHMSA-N	422.550	4.773	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@](C)(O)c2cccs2)c(C)n1C1CCCCC1	740163647	HJOSWAHUZZRPHF-FYVGXUMQSA-N	411.571	4.603	50	20	HJGD	
Cc1ccccc1[C@H]1CN(C(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)CCO1	741724700	XFIVIWHWGWLLJX-LYRGBEMXSA-N	405.542	4.576	50	20	HJGD	
Cc1nc2c(s1)C(=NNC(=O)Nc1ccc(Br)cc1Cl)CCC2	741771788	WHYPGFFPEXAQJL-UHFFFAOYSA-N	413.728	4.730	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)COCC(F)(F)F)c(C)n1C1CCCCC1	742409284	AXKMKSQHEXZIOG-XKYMITNMSA-N	411.468	4.601	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)ccc1Br	743415723	FMRKKRLKZAVJPA-UHFFFAOYSA-N	422.298	4.638	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc2ccccc2c1	743437292	FBNCMIJHVSTPQK-OAQYLSRUSA-N	408.885	4.815	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	745995388	IXHLJFVZDASBNJ-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2)c1C)C1CCOCC1	746409350	CGHMFNZGFUSPAJ-WLGHQHAYSA-N	405.542	4.631	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccccc1F)c(C)n2Cc1ccccc1	748056220	JNGDWOXENSPWQT-UHFFFAOYSA-N	403.457	4.903	50	20	HJGD	
COC(=O)c1cc2c(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)ccc(OC)c2o1	748994136	HHRAKGPNUNFJCM-NTEUORMPSA-N	424.840	4.736	50	20	HJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1	750044494	YCNVNLMHPFRIOC-YFMIZXKXSA-N	404.253	4.840	50	20	HJGD	
CC(=NNC(=O)Cc1csc(C)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	750922486	NZVBUVUADPVNQY-UHFFFAOYSA-N	409.355	4.572	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccc(NC(=O)C2CC2)cc1	754558220	MUNIVVVPVFDWPO-NSHDSACASA-N	424.398	4.580	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1)c1ccccc1	756774971	NAWIHCZWGQUWRE-FQEVSTJZSA-N	418.497	4.837	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(F)c(C(F)(F)F)c(F)c1	760518462	WMVJWUJZQWAJRD-UHFFFAOYSA-N	400.225	4.639	50	20	HJGD	
C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CS2	762517728	MPQUMFOEISMGLS-FZMZJTMJSA-N	402.410	4.737	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCOc2ccccc2C1	762640028	NRAADERXSCOMCK-UHFFFAOYSA-N	422.375	4.704	50	20	HJGD	
O=C(NCCC[C@@H]1CCCCO1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762681096	MLJZCJAAAJAIOQ-ZDUSSCGKSA-N	416.412	4.748	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H]1c1ccccc1Br	768252929	OJFXGRRTEILVGX-ZIAGYGMSSA-N	403.158	4.922	50	20	HJGD	
COc1cc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)ccc1C	772955183	QWJUPMUYULEFFI-UHFFFAOYSA-N	424.391	4.916	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc(C)c(-c2ccc(F)cc2)s1	773641647	QFMVRLWMNXWNOM-UHFFFAOYSA-N	402.422	4.545	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)c(Cl)c1	779385796	UWQNVTKUCWEJEM-KRWDZBQOSA-N	416.884	4.759	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CCCc3ccccc32)c1C	790158991	ZTRTZJMEBMLDJT-PHZCAERGSA-N	405.542	4.755	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cccc(C(F)F)c2)c(C)n1C[C@H]1CCCO1	791759870	DVABLTMTHYBKQQ-TUJQNWBVSA-N	414.452	4.872	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(OC2CCCCC2)cc1	792440818	HCDABKJWFPBJLQ-UHFFFAOYSA-N	422.312	4.787	50	20	HJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(Br)c(F)c1	793837974	GHGKPZCZLLPHLP-UHFFFAOYSA-N	404.239	4.563	50	20	HJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl	794869009	FGKSVQOMPXWZSB-FMIVXFBMSA-N	401.228	4.864	50	20	HJGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	798367395	CZUHYZNJNMKZHI-MGPLVRAMSA-N	403.857	4.698	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC=C(c3ccccc3)C2)c1C	803682655	ZUCRJGHYDFYHRT-ANRKENSESA-N	403.526	4.535	50	20	HJGD	
CC1(C(=O)NNc2ccc3ccccc3n2)CCN(c2ccc(Cl)cc2C#N)CC1	804538075	JZHWSSNITIVXSC-UHFFFAOYSA-N	419.916	4.510	50	20	HJGD	
O=C(NNc1cccc(F)n1)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	806217397	GPZIJVKDMUESFC-SNVBAGLBSA-N	401.294	4.655	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1nc(Br)sc1C1CC1	807119300	OOJMMLYJOYHLEM-UHFFFAOYSA-N	407.120	4.847	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1csc(I)c1	812767612	MIEJZUMQCNGDRO-UHFFFAOYSA-N	400.285	4.541	50	20	HJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)Nc1nc(-c2ccncc2)cs1	814188197	WREMHLZTDCYAJS-CYUCFKLKSA-N	416.506	4.843	50	20	HJGD	
C[C@@]12CCN(C(=O)C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)C[C@@H]1C2(F)F	815659204	WLWSJTBWIJWRFK-SMDDNHRTSA-N	420.350	4.786	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)cnc2O)c1C	916390885	UTGFLQQNMIWCNG-OVCLIPMQSA-N	406.408	4.570	50	20	HJGD	
Cc1nccn1CCCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	916676899	ISXJOMGYGIPWPD-CQSZACIVSA-N	406.861	4.623	50	20	HJGD	
CC(F)(F)CCC(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	916736372	LXYZBJPDQOWYSB-UHFFFAOYSA-N	417.843	4.752	50	20	HJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccc(Br)s3)cs2)cc1	918711445	MXDYCMQWCCLGBE-UHFFFAOYSA-N	406.330	4.706	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1O	920069444	QDDMUXKRNSIWRY-MLPAPPSSSA-N	414.284	4.746	50	20	HJGD	
CN(C)C(=O)COc1ccccc1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1	920396880	BRKJBWLVDUMPOL-GZTJUZNOSA-N	423.925	4.995	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2ccc(OC(F)F)cc2OC(F)F)c2ccccc2n1	1317702878	GCNDOSIAEJYYEA-UHFFFAOYSA-N	421.350	4.510	50	20	HJGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)cc1	1317738133	WHCVDOWVQDHMCI-ZHZULCJRSA-N	412.917	4.757	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NNc2ccnc(F)c2)cc1	1320806280	LJZAEYAWLYPEKE-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNC(=O)c5ccccc5Cl)(C4)C2)C3)cc1	1337084560	XINPCTKJDZDXAH-LYBIEXDWSA-N	422.956	4.948	50	20	HJGD	
Cc1ccsc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Br)CCC2)cc1	1787279424	MNLKKNWQLDERKW-CYBMUJFWSA-N	421.360	4.588	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3c(C)c[nH]c3C)CCC2)cc1	1790484286	JIJHMTDYEHARCL-FQEVSTJZSA-N	415.965	4.716	50	20	HJGD	
COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC[C@@H]1CCSS1	6399201	HWCXJPXAKKNEQD-CYBMUJFWSA-N	403.953	4.544	50	20	HJGD	
C=CCOc1ccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OC	7001138	AKLJBYQEQFCWLN-RVDMUPIBSA-N	419.506	4.913	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1	16644698	BNDFOYIUOCYEMO-UHFFFAOYSA-N	415.276	4.647	50	20	HJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCO2)S(=O)(=O)c1cc(Cl)ccc1Cl	20620405	KWOVOTZTKNLAKC-QDEBKDIKSA-N	416.669	4.714	50	20	HJGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN=Cc1cccc(OCCCC#N)c1	726736266	HIJNHJSHNKCQEI-KRWDZBQOSA-N	413.905	4.557	50	20	HJGD	
Cc1ccc(C)n1-c1sccc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	727804541	GBCIRSHYOFOAIR-UHFFFAOYSA-N	408.310	4.537	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1nc(-c2ccccc2)no1	728081306	OUVFNNGCOHYSMK-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl)c1ccccc1	731932027	WOKDMMTWIVAOEB-IBGZPJMESA-N	412.896	4.676	50	20	HJGD	
CC[C@H](OC1CCCC1)C(=O)NNc1ccc(Br)cc1C(F)(F)F	733154874	NLPSKUFOVOTLEP-AWEZNQCLSA-N	409.246	4.649	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C(=O)OC)c2cccc(Cl)c2)c1C	733817402	MNULUPSWNARVFL-OBXYEHHASA-N	414.889	4.533	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)c1C	737599799	OVBZZTCRIDAXDC-VCVYSFGFSA-N	419.569	4.747	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cc(-c2ccccc2)nn1-c1ccccc1	740140275	UDUHCCVQGNFLQE-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNC(=O)CCSc1ccc(F)cc1	743290206	DNWCGEJZIODADT-INIZCTEOSA-N	417.550	4.534	50	20	HJGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1	743628263	DSDYQKDWKMRREQ-UHFFFAOYSA-N	402.498	4.549	50	20	HJGD	
CCN(c1ccccc1)c1ccc(CNC(=O)NNC(=O)c2cccc(Cl)c2)cc1	745876954	DBAFKNCRTNPZBV-UHFFFAOYSA-N	422.916	4.642	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)c1cc(F)c(Cl)cc1Cl	749540970	CJBQOZWKGGMTRA-SECBINFHSA-N	410.232	4.584	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)CC#N)c(C)n1-c1cccc(Cl)c1Cl	751392400	IFYWGPSQLRVXOS-YUSFRKCESA-N	401.297	4.726	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)Cc2csc3ccc(Cl)cc23)cc1	752264481	KFOKIPMHNBCXST-UHFFFAOYSA-N	419.959	4.514	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3c(C)noc3C3CC3)c2C)cc1	753482677	HJBUCVHZOODFRQ-UNOMPAQXSA-N	416.481	4.822	50	20	HJGD	
CC(C)c1ccc(C2(O)CCC(=NNC(=O)c3cccc(OC(F)F)c3)CC2)cc1	753922468	VCPVFSFKOQOQEV-UHFFFAOYSA-N	416.468	4.959	50	20	HJGD	
COC1CCC(CC(=O)NNc2ccc(Br)cc2C(F)(F)F)CC1	759036150	AKTQLSWNCHIPQS-UHFFFAOYSA-N	409.246	4.506	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cn(C)nc1-c1cccs1	769550611	BVIRYRLPIDYAEY-JYRVWZFOSA-N	412.902	4.665	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(-c2cccs2)n1	769552573	UXCPLDAYRGSDDV-XYOKQWHBSA-N	402.401	4.713	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1csc(-c2ccc(Br)s2)n1	771699145	WSOUQOPFSXBZBL-UHFFFAOYSA-N	412.309	4.839	50	20	HJGD	
CN(CCOC(C)(C)C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773412908	BXIJLCKHMDTGGA-UHFFFAOYSA-N	404.401	4.556	50	20	HJGD	
Cc1cc(Br)c2oc(C(=O)NNc3ccc(C(F)(F)F)cn3)cc2c1	775257254	CHPJNISIOFPDSF-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1	777464648	YTTZBTRRLGXBLS-VCHYOVAHSA-N	410.399	4.804	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccccc1COc1ccccc1	779208734	MNZVYRFWDWNHMY-UHFFFAOYSA-N	402.372	4.921	50	20	HJGD	
O=C(Nc1ccc(SC(F)F)cc1)C(=O)NN(c1ccccc1)c1ccccc1	782820507	CMELDHYAPJGSQD-UHFFFAOYSA-N	413.449	4.809	50	20	HJGD	
C[C@@H](Cc1ccncc1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782983068	IGIGUHJYNOHSSM-NSHDSACASA-N	402.410	4.649	50	20	HJGD	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NNc1ccc(Cl)cc1	783336488	PFOJJCCYJJJXGK-MRXNPFEDSA-N	423.900	4.870	50	20	HJGD	
Cc1ncsc1CN(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	784400063	VMUGUAZIUXFGNF-UHFFFAOYSA-N	415.409	4.706	50	20	HJGD	
COC[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	785961958	ILAKXHCVFHJIDT-QHCPKHFHSA-N	413.885	4.631	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(Oc2cccc(F)c2F)nc1	786106243	SDQPIOZDDJKKCN-UHFFFAOYSA-N	413.409	4.910	50	20	HJGD	
COCCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@H](C)c1cccc(C(F)(F)F)c1	787260278	CWMPEBGWKOXIME-GYZOOYGHSA-N	418.415	4.554	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)ccc1Cl	788605325	OZHFWBUZKBPNHB-MHZLTWQESA-N	409.939	4.544	50	20	HJGD	
Cc1c(I)cccc1C(=O)NNc1cc(Cl)cc(Cl)c1	791731468	BBBNBAMHXKVACH-UHFFFAOYSA-N	421.065	4.663	50	20	HJGD	
O=C(NNc1ccccc1Cl)C(=O)Nc1cc(-c2ccccc2)ccc1Cl	792351250	RXPNMAWRWRFZEJ-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
C[C@@H]1CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C[C@]2(CCCOC2)O1	792880234	BPLKKSIEFIJEJT-XXBNENTESA-N	405.655	4.978	50	20	HJGD	
CC(C)c1noc(Cc2ccc(NC(=O)NNc3c(F)cccc3Cl)cc2)n1	801941903	ARTVTDAUACKEJG-UHFFFAOYSA-N	403.845	4.725	50	20	HJGD	
CC1(C)CN(CCP(=O)(c2ccccc2)c2ccccc2)Cc2ccccc2O1	808791177	MADIPOIYALCLAR-UHFFFAOYSA-N	405.478	4.674	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cn2ccc(Br)cc2n1	811686005	KITOHMNWJCIECC-YBEGLDIGSA-N	423.314	4.767	50	20	HJGD	
N#C/C(=C\c1cn2ccc(Br)cc2n1)c1nc(-c2ccncc2)cs1	811688873	UMENVXGPWCAZER-NTUHNPAUSA-N	408.284	4.679	50	20	HJGD	
COc1ccc(NNC(=O)[C@@H](C)c2ccc(Br)s2)c(C(F)(F)F)c1	816703033	MAYOCXORULCSIL-QMMMGPOBSA-N	423.254	4.785	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ncccc3C)c2C)cc1	843073276	QVEBVXVZZGHBQT-XSFVSMFZSA-N	400.482	4.742	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nnc(Cc3ccccc3)s2)c1C	864026131	RRUGYPFLOWSYJC-CPNJWEJPSA-N	405.527	4.503	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1C	894650628	ZFQZOAUGUJTGJR-LANLRWRYSA-N	405.498	4.624	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)N(C)C)c(C)n1C1CCCCC1	914737737	GMFMFKPTWWXFHA-HMMYKYKNSA-N	418.541	4.858	50	20	HJGD	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)o2)cc1	915845779	XWJAAJGUENTCAC-FOWTUZBSSA-N	406.825	4.932	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)cc1	915985693	VZPZTZHUHKQUJW-XSFVSMFZSA-N	400.482	4.822	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	916340057	AJHAASOIXKYZMC-UHFFFAOYSA-N	422.828	4.682	50	20	HJGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(COc2ccc3ccccc3c2)cc1	916592532	MAHNFVDGUSFRJY-UHFFFAOYSA-N	415.405	4.684	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2F)o1)NNc1ccc(Cl)cc1[N+](=O)[O-]	917213279	BZIQTEFBFHONRF-UHFFFAOYSA-N	403.797	4.723	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1ccc2ccccc2c1	918624133	HOFSXFNMMZUWGU-UHFFFAOYSA-N	405.841	4.531	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(COC(C)C)cc2)c1C	919936590	GTLUTBYCTNRVTP-FNLSEGDXSA-N	409.530	4.783	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1C	920006067	FSLAAROBGABZNH-GBQPJDALSA-N	405.542	4.630	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1cccc(N2CCCC2=O)c1	920979750	WOLOSWNUEKQDIF-LBPRGKRZSA-N	407.301	4.508	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(-c3cccnc3)no2)c1C	923147932	WFGPSJGYQDBNDZ-SYERDGIWSA-N	419.485	4.561	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2cccc(C=NNC(=O)c3ccccc3Cl)c21	1253001958	XDFAXTCSQBVQNS-UHFFFAOYSA-N	413.905	4.792	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c(F)c3)CCC2)cc1	1786012705	OMACTUVLEVWQQO-UHFFFAOYSA-N	418.896	4.544	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C2	1793682538	ZHYMRUDEXPPBGU-HLPPOEQASA-N	417.764	4.653	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)sc1Cl)C2	1793683370	XKZLXVJWFNQQEN-LSCVPOLPSA-N	423.793	4.714	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)[nH]n1	1815322067	KQFNYWYDEMHWQC-WMZOPIPTSA-N	420.916	4.571	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2)n[nH]1	1820497450	ODCICPUCFSDTRH-MRXNPFEDSA-N	423.344	4.634	50	20	HJGD	
Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)oc2ccccc12	1827613862	VITNFWFGEOURJN-PXNSSMCTSA-N	420.912	4.509	50	20	HJGD	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1OC	6209894	DZEDPXLVRLOVBN-RVDMUPIBSA-N	415.287	4.792	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1sc(C)nc1-c1ccccc1	7258346	ITNIHRAZPXXRQX-UHFFFAOYSA-N	410.568	4.621	50	20	HJGD	
CCN(CC)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	7408269	PCZBQEFLLNEUNH-HYARGMPZSA-N	420.557	4.789	50	20	HJGD	
CCn1c(NNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)nc2ccccc2c1=O	11155608	LOGFXIHNGKEYOU-UHFFFAOYSA-N	424.913	4.555	50	20	HJGD	
COc1cc(C(=O)N/N=C2\C(O)=Nc3ccc(Cl)cc32)ccc1OCCC(C)C	21274356	UGDOLUKDEGSCLP-UHFFFAOYSA-N	415.877	4.509	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc(OC[C@@H]2CCCO2)c1	26163040	XODKPGOPNDBGQC-AWEZNQCLSA-N	415.704	4.962	50	20	HJGD	
CC(C)[C@@H]1COC([C@@H]2Cc3ccccc3N2P(c2ccccc2)c2ccccc2)=N1	138791801	PGYOETJPACPKCA-ZCYQVOJMSA-N	414.489	4.919	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)cc(C#N)n1C	725742567	CFACKEWTDCKOQI-VJOZSWGJSA-N	410.477	4.782	50	20	HJGD	
O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)NNc1nc(-c2cccnc2)no1	732111020	XBEIDEITQROSEZ-CSKARUKUSA-N	423.885	4.670	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1ccccc1	732713818	LJNMDXJMJJPRPH-RQNDZEIBSA-N	421.298	4.624	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCOC[C@@H]3c3ccco3)c2C)cc1	735025070	LSZDWYRJFCOPGV-LJJBLSSYSA-N	415.493	4.503	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@H](Cc1ccccc1)c1cccs1	735090843	JJWOXFGIKHIBIF-OAQYLSRUSA-N	415.518	4.829	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NNC(=O)COCc1ccccc1	737435116	ZXXULFBXGDRRPR-UHFFFAOYSA-N	424.504	4.515	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccccc1C(=O)c1ccc(Cl)cc1	740097661	OFHKVIHYBPPTLZ-UHFFFAOYSA-N	419.790	4.742	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC(=O)c1ccc(Cl)cc1F	747646792	RAIFMSIUVOIOTI-UHFFFAOYSA-N	419.287	4.758	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ncc(C(C)(C)C)o2)c1C	747674269	PZXKHWVHASWJDD-LBFOSSIKSA-N	413.518	4.809	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1csc(Cc2ccccc2)n1	748732054	QXUBRTSKZITVNY-UHFFFAOYSA-N	402.317	4.562	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2c(-c3cccc(Br)c3)noc2C)c1	752143693	KFVFKWZNGPEBMF-UHFFFAOYSA-N	400.276	4.786	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)F)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F	754681084	VNDSPSVFHMXXQH-YRNVUSSQSA-N	400.278	4.992	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2OCc2ccccc2Cl)c1	759318967	CSDFVSPMJVWCJQ-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
COc1cc(C(=O)NN=Cc2cnc(C3CCC3)s2)ccc1OCCC(C)C	760236389	ZSLUEZHVKIAORT-UHFFFAOYSA-N	401.532	4.608	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(OC(F)(F)F)cc1	761590162	GLMMXUUVCNKARH-UHFFFAOYSA-N	411.767	4.959	50	20	HJGD	
O=C(Cc1csc(-c2nc[nH]n2)n1)Nc1cccc(S(F)(F)(F)(F)F)c1	762725494	WUPNJZOXQOGVJJ-UHFFFAOYSA-N	411.381	4.767	50	20	HJGD	
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)NN(Cc1ccccc1)c1ccccc1	765917272	WNBLJOIUYPFVNU-UPVQGACJSA-N	401.510	4.828	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F	766593600	JJSJXFAZAGKOPV-RYUDHWBXSA-N	401.860	4.680	50	20	HJGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1c(Cl)cccc1OC(F)F	773105709	VXKJIBIFVLGMHA-JTQLQIEISA-N	403.212	4.512	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1nc(-c2ccccc2)n2c1CCCCC2	775270064	XNDZEFOXWYWABL-UHFFFAOYSA-N	416.312	4.735	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1	777464206	QKGFQKRWXQWOCK-VCHYOVAHSA-N	410.399	4.804	50	20	HJGD	
CN(CCc1ccccn1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777848920	FUQORVCWNLLUEK-UHFFFAOYSA-N	402.410	4.602	50	20	HJGD	
O=C(CS[C@@H]1CCCOC1)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	779828368	MJXXBDYQXMGCLJ-LJQANCHMSA-N	422.472	4.985	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1	780801200	UNUHZUIOAZUIIJ-UHFFFAOYSA-N	420.252	4.500	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccccc2SCc2ccccc2)c1	783356019	DUOXZKVUHXVSKD-UHFFFAOYSA-N	405.523	4.678	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1Cl	787386616	GEFLKKHKKWSIRJ-IOUNIBQOSA-N	418.880	4.867	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1	787579769	AVRAHYMULAJYGS-KPKJPENVSA-N	412.314	4.601	50	20	HJGD	
CCCCSc1ccc(Cl)cc1C(=O)NNc1nnc(-c2ccccn2)s1	788561635	ILNGFTZQWKNVAF-UHFFFAOYSA-N	419.963	4.903	50	20	HJGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl	789748506	YODUWIANUFMKMI-UHFFFAOYSA-N	418.255	4.881	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1	790495737	KJGBGXHFXZTQOQ-QGZVFWFLSA-N	405.389	4.538	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791070039	DBKOWTFIZPSURW-UHFFFAOYSA-N	412.855	4.638	50	20	HJGD	
C=C(CBr)CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC	791444516	BEKZGYZOQGMDSM-ZDUSSCGKSA-N	407.274	4.696	50	20	HJGD	
CCCN(N=C(C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)OC(C)(C)C	794998228	KLUPTEACQYYSNN-UHFFFAOYSA-N	408.564	4.774	50	20	HJGD	
O=C(NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1nnc(-c2ccccc2)o1	799478180	VARGCPAZJFFOJM-OAHLLOKOSA-N	414.387	4.809	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1	799758851	BNMFCQZZARYTDY-UHFFFAOYSA-N	403.482	4.575	50	20	HJGD	
CSc1ccccc1[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	800082595	QCPVADOGVOLHEF-YSRDWRFGSA-N	423.582	4.790	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)[C@@H]1C[C@H]1c1ccc(F)cc1	804208131	YZFXBIPDDQJASJ-DLBZAZTESA-N	416.378	4.548	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2c(F)cncc2F)c(C)n1-c1ccc(F)cc1	804823427	IYSYDVSXOITHGQ-KDVQLTRESA-N	424.426	4.691	50	20	HJGD	
CCc1nc2ccc(C(=O)NNc3ccnc4cc(Cl)ccc34)cc2nc1CC	812016360	DKXBTRWLCIBBAO-UHFFFAOYSA-N	405.889	4.713	50	20	HJGD	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc(F)cc1	812244604	LEDKAIWTIMLLCU-YVLHZVERSA-N	405.385	4.781	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cncc(C(F)(F)F)c1	817016614	DHAPRKSQKPIBHP-UHFFFAOYSA-N	417.231	4.895	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3nccn3C(F)F)c2C)cc1	818010335	KGEKNSHYJCUWCC-WQRHYEAKSA-N	410.424	4.645	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)cc1	849210225	KUSDSEGGDXWEJO-HKWRFOASSA-N	412.445	4.876	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(NC(N)=O)c2)c(C)n1C1CCCCC1	902079859	IYRLKAFEJVFHAW-PDGQHHTCSA-N	405.502	4.646	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OCCN3CCCC3)cc2)c1C	914786596	IPKVRQRVBXKVLS-OQKWZONESA-N	403.526	4.555	50	20	HJGD	
O=C(NNC(=O)c1c[nH]cc1-c1ccccc1)c1ccc(-c2ccc(F)cc2)s1	916145403	KMXPQVFCNJTXOC-UHFFFAOYSA-N	405.454	4.624	50	20	HJGD	
CCOc1c(Cl)cc(C=NNC(=O)CSc2ccc(Cl)cc2)cc1OC	916273797	SSKAQQQPZAGPGK-UHFFFAOYSA-N	413.326	4.643	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)C(F)(F)F)c1C	916389738	ORFWKERNRYPXDG-LLLJOFSASA-N	419.447	4.639	50	20	HJGD	
CC(C)Oc1ccccc1[C@H](C)NC(=O)NNc1ncc(C(F)(F)F)cc1Cl	918213080	NALAQNMHPQILFN-NSHDSACASA-N	416.831	4.928	50	20	HJGD	
Cc1csc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	919703121	SPYTZCWHJHMNAS-IUXPMGMMSA-N	410.930	4.736	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(OC)ccc2Cl)c1C	920817369	NSPWTDFUQRWSPU-IREQLNLFSA-N	401.894	4.520	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1Cl	1338653112	IYQDGTLCKLUWJO-GDNBJRDFSA-N	422.824	4.852	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccn4c3)CCC2)cc1	1790486350	ZMMJSBMVELPHKG-KRWDZBQOSA-N	415.946	4.766	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3coc(C(C)C)n3)CCC2)cc1	1790488070	SEXXYKHYSVWXDR-INIZCTEOSA-N	403.910	4.563	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2C)n[nH]1	1814593553	RUHSHAGJCLPTBI-RDJZCZTQSA-N	423.344	4.695	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1	1830027494	LOCZWPFPCPAMQL-MOPGFXCFSA-N	411.373	4.591	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(SC)cc2)c1C	27165632	VSLXRRYDYUTVMM-UQKXMBGOSA-N	411.571	4.819	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1	214868009	FHOLCFGGLKOBAC-CIKBWMHTSA-N	417.292	4.629	50	20	HJGD	
COc1cc([C@H](C)NC(=O)c2c(C)nn(CCCl)c2C)ccc1OCCC(C)C	303509353	BXBBWHHSIBCPOC-HNNXBMFYSA-N	421.969	4.663	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccc(F)cc2)n1)c1cc(F)ccc1Br	728436809	WWNZEGBYLCVIMO-UHFFFAOYSA-N	422.254	4.615	50	20	HJGD	
COc1ccc(NNC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)cc1	729274382	YDCLVBYJCBMVHX-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2ccccc2[N+](=O)[O-])c(-c2ccccc2Cl)n1	730997046	IHKBHJOJZODVFM-UHFFFAOYSA-N	413.865	4.624	50	20	HJGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1ccc(Br)cc1Cl	733808075	JVJLECNGAPXQMR-UHFFFAOYSA-N	418.722	4.953	50	20	HJGD	
CCCC[C@H](CC)CC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	735331840	RDYNZCVJLZLHGD-KRWDZBQOSA-N	403.548	4.537	50	20	HJGD	
CCN(CC)C[C@@H]1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)C1	742868174	QEXCJCZPJTVSFW-VQYZLWMVSA-N	410.606	4.707	50	20	HJGD	
CC(C)Oc1ccc(CC[C@H](C)NC(=O)NNC(=O)c2cccc3ccccc23)cc1	743541963	GYRFXILYPFIIEH-SFHVURJKSA-N	419.525	4.592	50	20	HJGD	
CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)Nc1ccc(C)cc1Cl	743577131	MNEPTBWZMKWBTR-INIZCTEOSA-N	404.898	4.534	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	743821368	MVEVARPPSGYKET-LSDHHAIUSA-N	414.745	4.768	50	20	HJGD	
CCc1cnc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)o1	744455115	FAADQSVYFRCAKJ-RQZCQDPDSA-N	409.873	4.948	50	20	HJGD	
CSc1cccc([C@@H](NC(=O)NNC(=O)CC(C)(C)C)c2ccc(F)c(F)c2)c1	745902961	BQQDUWITMCPWFK-LJQANCHMSA-N	421.513	4.543	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1	747051548	RWTQBGTUYOTJFH-UHFFFAOYSA-N	419.868	4.563	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(C#N)cc2)ccc1OCc1ccccc1Cl	748115086	WVBUGSMYZMKWRA-UHFFFAOYSA-N	407.857	4.556	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)cccc1[N+](=O)[O-]	748681751	UVGOYHZUUCVWEM-UHFFFAOYSA-N	419.409	4.990	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cc1C(=O)N(C)C	751324300	DIFDBUCUZPUHCA-FYJGNVAPSA-N	420.557	4.707	50	20	HJGD	
CCC1(C)C/C(=C/c2cnn(CCCl)c2)C(=O)/C(=C\c2cnn(CCCl)c2)C1	751518219	RVFOVYIHNVOYQX-LVTUVZGMSA-N	421.372	4.803	50	20	HJGD	
CN(C)[C@@]1(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCSC1	752971978	GIXOVXVWVIIITR-CQSZACIVSA-N	405.458	4.903	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC([C@H]3CCOC3)CC2)c(C)n1C1CCCCC1	752980629	SKDZKWBABGBHEC-VQYZLWMVSA-N	409.574	4.792	50	20	HJGD	
N#C/C(=C\c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1nc(-c2ccncc2)cs1	755407470	MBCHCDMZTPSYIE-NTUHNPAUSA-N	418.375	4.909	50	20	HJGD	
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762973687	ZAMGKCUGBVHOJJ-CMPLNLGQSA-N	422.441	4.821	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@H](c1cccc(F)c1)c1ccccn1	766293321	LMDPQUTVHOZYNS-GOSISDBHSA-N	405.260	4.943	50	20	HJGD	
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H](Br)C(C)(C)C)c1	768068901	BAAGDJWUOHFWLF-CQSZACIVSA-N	403.748	4.569	50	20	HJGD	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NNc2ccccc2Cl)C1	769949564	SENULIJOPRGWPC-HUUCEWRRSA-N	400.910	4.607	50	20	HJGD	
CCCN(CCC)C(=O)c1ccc(NC(=O)NNc2ccc(F)c(F)c2F)cc1	769972250	WDLXEANSQGPMQY-UHFFFAOYSA-N	408.424	4.515	50	20	HJGD	
C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NNc1ncc(Cl)cc1Cl	775271346	JSLWFRACNWEYDD-LBPRGKRZSA-N	417.296	4.690	50	20	HJGD	
C[C@@H](c1cccc(NC(=O)NNc2c(Cl)cccc2Cl)c1)N1CCOCC1	775607178	WNKMFIGCLVHKKT-ZDUSSCGKSA-N	409.317	4.535	50	20	HJGD	
O=S(=O)(Nc1c(F)cccc1CO)c1cccc(S(F)(F)(F)(F)F)c1	777644804	LOILMCDOVYZSAP-UHFFFAOYSA-N	407.357	4.776	50	20	HJGD	
CC(C)c1nc([C@H](C)NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	778036654	FMXNLNLKECPHGS-VIFPVBQESA-N	420.429	4.625	50	20	HJGD	
C[C@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1ncc(-c2ccccc2)o1	779591655	QNQNNQCTZDVZFW-LBPRGKRZSA-N	406.364	4.628	50	20	HJGD	
Cn1nc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1Oc1ccccc1	779750656	CXQLRJXIDPAMLG-KAMYIIQDSA-N	423.270	4.521	50	20	HJGD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NNc1cccc(F)c1	783042930	NQBQHRPQWNSVTE-UHFFFAOYSA-N	401.507	4.641	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1cccc2c1OCO2	785323105	KHUBMVIGKUQHDI-UHFFFAOYSA-N	410.320	4.650	50	20	HJGD	
COc1cc(COC(=O)/C(C#N)=C\c2ccccc2)ccc1OCc1cccc(C#N)c1	785347558	YNTUCIUGCOPXHF-QRVIBDJDSA-N	424.456	4.796	50	20	HJGD	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	787268396	VRBTXLFYXHEEDS-WQRHYEAKSA-N	418.424	4.665	50	20	HJGD	
Cc1cscc1CNC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	787586812	GVYDBPQEJAPVBT-OAHLLOKOSA-N	422.881	4.531	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)c1	788255576	NWKTYVZCACCVBU-UHFFFAOYSA-N	424.888	4.563	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1Cl	790170696	MXLYLCHQNLBTMM-UHFFFAOYSA-N	411.820	4.909	50	20	HJGD	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NNc1ccc(Br)cc1Cl	798982960	RWNHZBCOAMXFKS-UHFFFAOYSA-N	421.726	4.691	50	20	HJGD	
C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	805111602	ZOVSYABZKURLNW-WFASDCNBSA-N	420.469	4.591	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	808745074	KVOXUXHYNRGRGG-GOSISDBHSA-N	420.674	4.740	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(I)ccc1F	812766853	YHVRUNNVQMMQNZ-UHFFFAOYSA-N	412.246	4.619	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ncco3)cc2C)c1C	820260377	CVKGNBQLDSOXBX-KKJJZKEWSA-N	418.497	4.821	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cccc(Cl)c2)cnn1-c1ccc(C(F)(F)F)cn1	915065512	AGFOFZWUZIGQEX-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(NC(=O)[C@@H](C)CC)c2)c1C	915732601	IGWJCGYDXWJXAC-NIZGNDASSA-N	420.557	4.723	50	20	HJGD	
COc1ccc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)c2ccccc12	915958622	NYZYVESTNKMIPI-UHFFFAOYSA-N	401.491	4.665	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2SC(F)(F)F)c1C	916060699	DAVYFHDBFDTBFE-WJDWOHSUSA-N	423.460	4.909	50	20	HJGD	
Cc1c([C@H](C)NC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)oc2ccccc12	918002124	RQWIQNUPJWONNN-OCCSQVGLSA-N	411.527	4.633	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc3nc(O)[nH]c3c2)c(C)n1CCC(C)C	918601268	YNHZWJSGFLVGDA-VBNMEBLOSA-N	419.529	4.517	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)C(=O)CC4)cc2)CCC1	1790887126	QHBWGNPGRAUWDW-FQEVSTJZSA-N	424.928	4.581	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)o3)CCC2)cc1	1791360867	VMNAICKGBNLAND-INIZCTEOSA-N	419.319	4.509	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3F)cc2)CCC1	1791377718	NEJNVZJWTGXRBD-SFHVURJKSA-N	420.887	4.659	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3cc(C(C)(C)C)oc3C)C2)CC1	1808383624	SGWSQJYJDPBYAK-GOSISDBHSA-N	422.997	4.748	50	20	HJGD	
CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)cc1	1824014725	WGHVNGLZEVARLZ-NRFANRHFSA-N	419.009	4.747	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2C)CC1	1832570709	WTJBWWKRVGPGMO-RTWAWAEBSA-N	404.982	4.554	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cccc([N+](=O)[O-])c3)n2)c1	7713341	UVBXRPKQPLDQPP-CXUHLZMHSA-N	404.451	4.881	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3ccc(OC)cc3)n2)cc1	17700341	KXAXEUNUDLKRNC-FOWTUZBSSA-N	405.479	4.763	50	20	HJGD	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NN=C(c2ccccc2)c2ccccc2)cc1	71945366	WNEUNQIQTOSEDD-KRWDZBQOSA-N	417.534	4.694	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC2(c3ccc(F)cc3)CCC2)c1C	116441461	IMAIDVBCLKZZHH-LZAZYHHXSA-N	423.532	4.597	50	20	HJGD	
CN1/C(=C(/C#N)C(=O)CSc2nc(-c3ccc(F)cc3)cs2)Nc2ccccc21	220139079	OYGHYZCNKWNDRA-HKWRFOASSA-N	422.510	4.907	50	20	HJGD	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNc3ccc(F)cc3)cc12	301237902	DVRNCMCJCJVEMZ-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727847072	QMDYBHDZFVMOPA-SNVBAGLBSA-N	400.693	4.694	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2csc3ccccc23)c1C	729957990	AHKRVGMJTWBDSL-PUMYGXPMSA-N	407.539	4.750	50	20	HJGD	
N#C/C(=C\c1ccccc1OCC(=O)N1CCCC1)c1nc2cc(F)ccc2s1	730259986	GWHUPVOSNUGJLM-LFIBNONCSA-N	407.470	4.501	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1C	731534981	ITTMEIMEZZUXRH-UHFFFAOYSA-N	422.535	4.805	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1SC(F)(F)F	732978167	IGRSUWJKMCVUCS-UHFFFAOYSA-N	414.796	4.759	50	20	HJGD	
Cc1noc(C)c1C[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	737667127	TWIYHXGOGPLADA-MNAFEPAFSA-N	408.546	4.869	50	20	HJGD	
O=C(NCCC(c1ccccc1)c1ccccc1)NNC(=O)Nc1cc(F)cc(F)c1	745179843	WMLXAEPWRCGQFB-UHFFFAOYSA-N	424.451	4.523	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc2cc(Br)ccc2c1	746290423	KZZHSRBXUVESBL-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
Cc1ccc(-c2noc(CCC(=O)NNc3ccc(Cl)cc3Cl)n2)cc1F	748007889	HWZHUUHNSSTEEX-UHFFFAOYSA-N	409.248	4.567	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccsc1NC(=O)c1ccccc1Cl	748563250	QVNXBNHCVUOVFQ-UHFFFAOYSA-N	403.866	4.858	50	20	HJGD	
Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NNc1cc(F)c(F)c(F)c1	748811833	IVTVCUIWGFIMNJ-UHFFFAOYSA-N	423.778	4.668	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)Nc1ccc(Cl)cc1Cl	750675394	MBNFOKMUOCPNOK-UHFFFAOYSA-N	421.309	4.512	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(OC)c2)ccc1OCC(F)(F)F	750893115	OPFIUWUWJBRZJJ-SXGWCWSVSA-N	405.372	4.825	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(F)(F)F	750935794	YDGXYDFAQUORHZ-UHFFFAOYSA-N	421.202	4.707	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1ccccc1Oc1cccc(F)c1	756165728	IYRITSJBGRBCHS-UHFFFAOYSA-N	404.401	4.566	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	768502422	YUQBSCJGTGCVPH-UHFFFAOYSA-N	413.359	4.526	50	20	HJGD	
CC(=O)Nc1cc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1F	769939792	HUCOYBCEIVYGMR-UHFFFAOYSA-N	405.644	4.893	50	20	HJGD	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)NNc1nc2ccccc2s1	769969814	BPUJYVFTUDURTP-UHFFFAOYSA-N	423.542	4.625	50	20	HJGD	
CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCS1	773348325	ISJYHSFZDSHPSW-CYBMUJFWSA-N	418.453	4.883	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1cccc2cc[nH]c12	776062615	ARYUBMKDAJOUHN-UHFFFAOYSA-N	421.460	4.850	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2csc(COc3ccccc3)n2)cc1	787153608	FTSOLWRDRGXRQF-IQFISFIMSA-N	419.506	4.515	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2csc(COc3ccccc3)n2)cc1	787153610	FTSOLWRDRGXRQF-JIHKLPAASA-N	419.506	4.515	50	20	HJGD	
N#C/C(=C\c1cnc(-c2ccc(Cl)cc2)s1)C(=O)N(CC(F)(F)F)C1CC1	789143725	QTPIPIYQXPBLOI-KPKJPENVSA-N	411.836	4.924	50	20	HJGD	
N#C/C(=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1cnc2ccccc2n1	790230491	BSPQCAYVUFTNGO-ZROIWOOFSA-N	402.255	4.847	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCN(Cc3cscn3)CC2)cc1	792865923	DGTVIUJZWFNSRK-UHFFFAOYSA-N	417.695	4.983	50	20	HJGD	
C=C(CBr)COC(=O)c1ccccc1NC(=O)OCc1ccccc1	795585055	SSLMWNFHTCNHAI-UHFFFAOYSA-N	404.260	4.543	50	20	HJGD	
CN1[C@H]2CC[C@H]1CC(N(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C2	796127980	SLGSJVPNQDGMOT-RYUDHWBXSA-N	420.469	4.590	50	20	HJGD	
Cc1ccc(-c2nc(NC(=O)/C(C#N)=C/c3cc(C#N)n(C)c3C)sc2C)s1	798954397	WVEFABJOAPVLIP-VIZOYTHASA-N	407.524	4.553	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	803436273	XVUOZVXNDZNREC-UHFFFAOYSA-N	423.831	4.870	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccc(-c2noc(C(F)(F)F)n2)c1	806983232	SYGFBFNYSZGMMD-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
O=[S@@](Cc1cccc(NCc2ccc(OCCCCl)cc2)c1)C1CCOCC1	811471465	RHEDHTADQOHXAB-NDEPHWFRSA-N	421.990	4.734	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F	813050324	WUPVXNFABVHQFI-AWEZNQCLSA-N	423.435	4.530	50	20	HJGD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	814692526	KJYDOTIPIMLSNY-SNVBAGLBSA-N	409.704	4.912	50	20	HJGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	913453957	YFIFUYPBXMABSL-GARJFASQSA-N	405.873	4.503	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2ccsc2)cc1OC	915989701	LARJGPHBJPCYIG-AUWJEWJLSA-N	404.285	4.874	50	20	HJGD	
CC(C)Oc1ccc(CNC(=O)NNc2nc(Cl)c(Cl)cc2Cl)cc1	916374123	FDMJLJDGZJHZRE-UHFFFAOYSA-N	403.697	4.655	50	20	HJGD	
CCCn1cc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1=O	919846770	XRPRQFUJSGEQAF-KGENOOAVSA-N	414.509	4.520	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc([N+](=O)[O-])c2)c(C)n1C1CCCCC1	921287837	FOZJVOIXSNOIMU-DEDYPNTBSA-N	406.486	4.742	50	20	HJGD	
Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@](C)(Cl)CCl)cc3)CCC2)c(C)o1	1790491779	IVCKCWOUYNMORN-FQEVSTJZSA-N	423.340	4.880	50	20	HJGD	
C[C@H](Br)C(=O)NC1(c2ccc(NC(=O)/C=C/C3CCCC3)cc2)CCC1	1790514218	BTPFCOZMJNHKOQ-BLMSOEDDSA-N	419.363	4.650	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1	1824014665	GQIRKCCICAXZIL-XXBNENTESA-N	409.014	4.618	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](Cl)CCC)CC1	1824615912	JINFYMOLOFOGFH-NJYVYQBISA-N	409.014	4.782	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)c1C	5870087	GPNQRHVICJPIQE-RGVLZGJSSA-N	418.493	4.889	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c(-c2ccc3c(c2)OCCCO3)n1	11297721	FFXIRFMDHRJXQD-LICLKQGHSA-N	419.868	4.692	50	20	HJGD	
COc1cn(-c2ccccc2)nc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	15631473	JQTCDEFXROQFOE-UHFFFAOYSA-N	411.676	4.598	50	20	HJGD	
Cc1ccc(OCc2nc(/C=C(\C#N)C(=O)c3ccc4c(c3)OCO4)cs2)cc1	63278737	SPKDSARHIFYNFQ-LZYBPNLTSA-N	404.447	4.549	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)Cc2cccc(Br)c2)cc1	195683246	AGIITWUCBZQXCD-BRYHAGSVSA-N	413.315	4.502	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2C)ccc1OC(=O)c1ccc(F)cc1	213024204	LPLGHSNNXASFSZ-BOPFTXTBSA-N	405.381	4.745	50	20	HJGD	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(C)c1	213736757	UXDFORMPXDBMAW-CXFFPLRNSA-N	421.541	4.855	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cccnc1Sc1ccccc1	727794938	XRLOTDXBOAQGLM-UHFFFAOYSA-N	418.305	4.614	50	20	HJGD	
O=C(NN=Cc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1Cl	728782346	LVOHFLUMPRRBPD-UHFFFAOYSA-N	420.738	4.857	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	729964968	IEUYDCAHZDZGEI-LJQANCHMSA-N	415.421	4.850	50	20	HJGD	
Cc1noc(C)c1CCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	730503620	QAAQALHJKKJURD-XDHOZWIPSA-N	422.916	4.618	50	20	HJGD	
CC[C@@H]1c2ccccc2CCN1C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	733942986	OGZHARACWBJEIN-YVFHEOCESA-N	417.553	4.727	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2)n1)Oc1ccc([N+](=O)[O-])cc1Br	739310374	CRYQLQVAZXOCKF-UHFFFAOYSA-N	419.256	4.629	50	20	HJGD	
CC(C)(C)C(=O)NCc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1	741511464	WFGJXZMAYGLLSG-UHFFFAOYSA-N	401.510	4.832	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C)c1ccncc1	741586191	QRHOLJIDLLAAAJ-FBHQFGEZSA-N	402.473	4.803	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)n1	741666603	BBNPLVZEFKSMBD-UHFFFAOYSA-N	403.269	4.949	50	20	HJGD	
Cc1ccccc1[C@H]1CN(C(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)CCO1	741724705	XFIVIWHWGWLLJX-RWTNITNYSA-N	405.542	4.576	50	20	HJGD	
CCCC(=O)Nc1ccc(O)c(C(C)=NNC(=O)Nc2ccc(C)cc2Cl)c1	741765692	BTIKTLMPPRRNQG-UHFFFAOYSA-N	402.882	4.638	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2c(F)cc(F)cc2Br)s1	741978861	UGZXMCLAVOEOLB-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
Cc1cccc(NNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1	743298737	CFYLWXFBZBMYAT-NOZRDPDXSA-N	413.521	4.618	50	20	HJGD	
COc1sc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1Br	746556885	GLTDLLAETILGHV-UHFFFAOYSA-N	408.104	4.590	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cccc(OCc3cccs3)c2)cc1C(F)(F)F	746897058	UNHVDAKXLMZFAQ-UHFFFAOYSA-N	417.412	4.974	50	20	HJGD	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNc1cccc([N+](=O)[O-])c1	748004215	AIVBOPDLWAKQAL-PLNGDYQASA-N	419.281	4.789	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cc(COc2ccc(Cl)cc2Cl)on1	748176046	XZMHLJJUGQKEDR-UHFFFAOYSA-N	414.195	4.596	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	749283575	FXAHWIWREFXQOZ-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
Cn1ccnc1SCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	750087439	FARBFOBKOYNCAR-UHFFFAOYSA-N	418.444	4.598	50	20	HJGD	
CC(C)(C)N1C[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1=O	752988452	VIUMKXMWQQIOQY-NSHDSACASA-N	401.401	4.865	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(-c2nc3ccccc3s2)s1	755191798	RHGYPCYAUJMZQC-UHFFFAOYSA-N	421.429	4.591	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc(Cl)cc(Br)c1F	768091329	TXKOXYGVVLDJPY-UHFFFAOYSA-N	409.589	4.600	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)C(C)(C)c2ccc3ccccc3c2)cc1	768930335	SDTJDCPGRRJQFZ-UHFFFAOYSA-N	407.539	4.534	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	771158274	KIKPIVXUWMFVSB-CQSZACIVSA-N	402.470	4.868	50	20	HJGD	
COC1CCC(N(C)C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	773272409	CFBQGGSENAEMMG-UHFFFAOYSA-N	416.412	4.699	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C	775544163	AEOXEWCSEZHTPN-UHFFFAOYSA-N	424.320	4.923	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc3ccccc3n2)nn1-c1ccc(Cl)cc1Cl	777463194	ICCQOFAXMOBXFZ-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)[C@@H](C)Cc1ccsc1	778227078	UDFCTFMGZOQMBX-OLTAIVCZSA-N	413.587	4.761	50	20	HJGD	
COc1ccc2[nH]cc(C3=CCN(C(=O)/C(C#N)=C/c4ccc(F)cc4)CC3)c2c1	785262774	XHASRWGNRDVZLC-LDADJPATSA-N	401.441	4.538	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3csc4ccccc34)cc2)cc1	786240178	VINSNNGTNHPYMM-UHFFFAOYSA-N	422.531	4.799	50	20	HJGD	
Cc1csc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1I	787253758	QCVRQIHQECWUNG-UHFFFAOYSA-N	414.312	4.716	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)c1	788256659	ZSGZDQPNPCCRNJ-UHFFFAOYSA-N	408.889	4.857	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cnc(-c3ccc(Cl)cc3)s2)o1	789000108	DWXNLRCICXSTDX-UHFFFAOYSA-N	416.934	4.662	50	20	HJGD	
Cc1csc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1Cl	790113660	MTOMEEFZUKCJAQ-UHFFFAOYSA-N	411.870	4.593	50	20	HJGD	
CC(C)(C)Cc1nc2cc(NC(=O)NNc3cccc(F)c3[N+](=O)[O-])ccc2o1	790503972	DUHOPUAPFBZZBK-UHFFFAOYSA-N	401.398	4.612	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc1OC	794885346	QWAPFJZQUFRBCP-CXUHLZMHSA-N	423.266	4.804	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c(C)n1C[C@@H]1CCCO1	798008444	KBGXWLWXXFJBQA-BAURCMORSA-N	423.944	4.517	50	20	HJGD	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1cc(C)nc(C)n1	798110092	AQMLQRMSVSUCLP-UHFFFAOYSA-N	420.300	4.765	50	20	HJGD	
O=C(CC(F)(F)F)Nc1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1	801885896	VHQFQBDVWXKLJM-UHFFFAOYSA-N	404.751	4.519	50	20	HJGD	
Cc1noc([C@H]2CCCN2C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	807766166	ABQYODUALKSRJK-UBXANZILSA-N	407.518	4.572	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C)CC(Cl)Cl	808245744	WEWHVVYMWHEJNZ-UHFFFAOYSA-N	409.144	4.601	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCOC[C@H](C2CCC2)C1	813759191	LXTCTVULFSPDAU-CYBMUJFWSA-N	421.453	4.781	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1	817871028	WDRZIBHXLRHENV-XTCQQWIJSA-N	423.822	4.937	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccn1)C(F)(F)c1cccc(Cl)c1Cl	857515523	ORJNOOQZKPCOCX-UHFFFAOYSA-N	400.134	4.642	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2c(Cl)cccc2Cl)c1C	914496614	IMAJHAPARXBBDI-DUPVFGOHSA-N	420.340	4.843	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCO2)C(=O)c1cccc(Cl)c1	917518539	BZDFNPHEDUTJEK-AWNIVKPZSA-N	404.647	4.664	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cc1	917665678	JEDDAIPFENLCTH-MRXNPFEDSA-N	402.825	4.792	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1	917907739	NBHGPHIZYAZBCM-HZRUTDPJSA-N	424.500	4.545	50	20	HJGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1	918218821	SJWIWUBXNUAQTQ-INIZCTEOSA-N	412.292	4.864	50	20	HJGD	
O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)NNc1ccccc1Cl	921122552	VYEPTJUWEBEGJK-UHFFFAOYSA-N	400.910	4.685	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(NC(C)=O)cc1	921262409	VPSAOFKWKHNJPA-NTUHNPAUSA-N	404.253	4.506	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1	1791324307	WCSDXNJISIUOKX-YZLZLFLDSA-N	402.966	4.964	50	20	HJGD	
CC1(C)CC(C(=O)Nc2ccc(C3(NC(=O)[C@](C)(Cl)CCl)CCC3)cc2)C1	1791649688	HCJVPSIWNWTZHM-HXUWFJFHSA-N	411.373	4.793	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)cc(C)cc2C)[nH]n1	1820860031	IQNSSZXPHVICEQ-WMZOPIPTSA-N	416.953	4.658	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)c2c(c1)OCCO2	19171438	AJALSWYCNTYIMF-UHFFFAOYSA-N	408.068	4.828	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCCO3)c(C)n1C1CCCCC1	25649592	ZRSXMNLVHKLKHN-KGENOOAVSA-N	419.525	4.605	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccc(C)cc1	255951258	JROYEKJGUVKENI-DEMKTBQOSA-N	405.542	4.767	50	20	HJGD	
CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	725751568	VBPVDRVXYSGNCK-JKSUJKDBSA-N	402.626	4.558	50	20	HJGD	
CSc1cccc(N(C)C(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1	726151817	NLMHMDKCZQPLMX-JAORQVBISA-N	409.555	4.576	50	20	HJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1	726184838	YHQRAMKPQXTWJC-UYRXBGFRSA-N	407.466	4.835	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)nc2ccccc12	726516657	JEBVHZKZLMPVFD-FYJGNVAPSA-N	415.541	4.626	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc(Br)c1O	727655630	ZJFPKFSNPMUOHI-NVNXTCNLSA-N	400.272	4.960	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CC2CC2)C2CCCCC2)c(C)n1C[C@H]1CCCO1	727715088	JGCCURHEDIHUJW-IGSWSUAKSA-N	409.574	4.762	50	20	HJGD	
CCN(Cc1cccc(Cl)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727846629	HEHCLVIDWNZRSW-UHFFFAOYSA-N	400.693	4.523	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(Br)cc2Cl)[nH]c2c1C(=O)CC(C)(C)C2	733807675	JOSQHTJTACONTD-UHFFFAOYSA-N	424.726	4.651	50	20	HJGD	
Cc1cc(NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C)ccc1Br	734254963	SESXSGZXMAYNCY-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1	737465087	CNVNNXPNCOKAQW-HNNXBMFYSA-N	401.491	4.528	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)c1C	737725230	RFHZQRNVPZZDTQ-UQRWVXEISA-N	420.557	4.676	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)o1	742058232	SWADBEWTJVKYDX-UHFFFAOYSA-N	400.360	4.511	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1	743058819	LXKARSOWTSWZOK-DQXUBXGMSA-N	400.837	4.583	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(Br)cn1C(C)C	743328276	LEIIVMIZRMFLAU-UHFFFAOYSA-N	423.380	4.586	50	20	HJGD	
CCc1noc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)n1	744553251	FSFVKQFYXMKOKG-UEXNTNOUSA-N	404.470	4.559	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc2noc(-c3ccc(F)cc3)c2c1	747590166	BQBGNDMJXHORCH-UHFFFAOYSA-N	416.334	4.805	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc3c(c2)CC(=O)N3)c(C)n1CCC(C)C	748505802	BEJOBRVOTBSNTG-WQFTWXBESA-N	419.525	4.857	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)c1	752520111	OOZRQVLPKKTGSI-UHFFFAOYSA-N	422.529	4.808	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)c1cc(-c2ccccn2)ccc1Cl	754883628	BFULZSGSTUOTPL-UHFFFAOYSA-N	401.853	4.630	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)o1	761554504	NZZNNOHMAPOOIQ-UHFFFAOYSA-N	421.844	4.744	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](CCO)c2cccs2)c(C)n1C1CCCCC1	761937906	YDNDOVWQGJSSTB-CURYZJDOSA-N	411.571	4.819	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2cc(Br)ccc2Cl)c2ccccc2n1	767749862	YWYZMGGHORGQQH-UHFFFAOYSA-N	402.679	4.723	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(Br)c(F)c1)c1nc2ccccc2s1	771324642	OXZUHTGIJMTBIC-SECBINFHSA-N	409.284	4.585	50	20	HJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccc(Br)c(F)c3)o2)cc1	771689386	LUJPPZLNBJRYKY-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1C	772069223	VOTFGOKVRPLTPW-UHFFFAOYSA-N	409.486	4.866	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N(Cc1ccccn1)C1CC1	772940969	YLKCDTYWGNSSQD-UHFFFAOYSA-N	421.391	4.869	50	20	HJGD	
C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)NNc3cccc(Cl)c3)c2)C1	773728902	DQAMJQAYCRCPDD-QRWLVFNGSA-N	415.921	4.517	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cnc2ccccc2c1C(F)(F)F	775271368	KRAGTORSZPLKFY-UHFFFAOYSA-N	401.175	4.712	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1	775471033	ZKNWJHWJECYWHQ-UHFFFAOYSA-N	420.313	4.831	50	20	HJGD	
C[C@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1cccc(OC(F)F)c1	779522629	BUMZRVUQEXIVOC-JTQLQIEISA-N	405.323	4.574	50	20	HJGD	
CC[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978569	CJRJMSHCKCJTFM-ZIAGYGMSSA-N	409.442	4.658	50	20	HJGD	
Cc1nccn1CCCN(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782987944	PWTVUCSBAONYLP-UHFFFAOYSA-N	419.441	4.560	50	20	HJGD	
COc1cc(/C(C#N)=C/c2cn(-c3ccc(Cl)c(Cl)c3)nn2)ccc1[N+](=O)[O-]	783712237	DWJRSUBCKZNGRE-WUXMJOGZSA-N	416.224	4.555	50	20	HJGD	
Cc1cccnc1NNC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12	791224137	BBTZIPYGGAUTMA-UHFFFAOYSA-N	420.900	4.834	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1COCCN1C1CCCC1	793820651	VXKSJMNRQWQVBF-HNNXBMFYSA-N	400.413	4.926	50	20	HJGD	
CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cccc(F)n2)cc1	804771691	JRAKHRRHXFAEBP-UHFFFAOYSA-N	415.472	4.954	50	20	HJGD	
CSSCCNC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	806888719	RFFSWWPBCSCFDA-UHFFFAOYSA-N	407.508	4.639	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccnn1CC1CC1	807473200	JWJFHXDWNINTKY-UHFFFAOYSA-N	410.368	4.528	50	20	HJGD	
Cc1ccc(-c2csc(NC(=O)C(=O)NNc3c(C)cccc3C(C)C)n2)cc1C	813048797	JSHAJSUJSGUOLW-UHFFFAOYSA-N	422.554	4.941	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCc2ccc3ccccc3c2)c1C	915198780	XONUXRGLJPJMKU-MGKUZBKYSA-N	415.537	4.731	50	20	HJGD	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)c1ccsc1	915989948	TWLPKCHAEACTDR-KMKOMSMNSA-N	413.090	4.769	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccc(NC(=O)NC2CC2)cc1	916645864	LEAHJWUTGSDYRD-LLVKDONJSA-N	422.316	4.665	50	20	HJGD	
CC(C)(C(=O)NNc1ccccc1C(F)(F)F)c1ccc(Br)cc1	918013943	HXVYBKMEOKBDKN-UHFFFAOYSA-N	401.226	4.889	50	20	HJGD	
Cc1ncc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)s1	919880094	WZNQJKFTDYYTJO-CAOOACKPSA-N	410.930	4.736	50	20	HJGD	
N#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3ccc(Cl)c(F)c3)cc2)cc1	921255474	SQEAHFBLPIJWKC-UHFFFAOYSA-N	407.832	4.547	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Br)CCC3)cc2)c1	1790284729	BRZFZYWJZXPAOM-HNNXBMFYSA-N	415.331	4.526	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)CC1	1826512560	LGRXDIJGWWSZSU-FGZHOGPDSA-N	419.009	4.565	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OC	33377943	YRGRUCNNHWMTPE-SDQBBNPISA-N	410.779	4.922	50	20	HJGD	
N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1	59269692	DVBOVADBXONLSX-LICLKQGHSA-N	407.832	4.999	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(-c2ccncc2)n1	214016691	PLEBWSBMQGGXOT-XDJHFCHBSA-N	421.460	4.820	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)c1ccc(-c2nc3ccccc3s2)s1	727716778	BZBQDVVCFOBMSW-UHFFFAOYSA-N	421.547	4.809	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCc2cccc(OC3CCCC3)c2)c1C	727848651	PLFAJSLRVDXMIT-UHFFFAOYSA-N	411.571	4.575	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1sc(-c2ccco2)nc1-c1ccccc1	730287964	XVAZYDWCFKTTRY-UHFFFAOYSA-N	412.474	4.797	50	20	HJGD	
O=C(Cc1ccccc1F)NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	731316898	NTNQLYVOLROMKO-UHFFFAOYSA-N	407.392	4.661	50	20	HJGD	
N#CCc1ccc(Oc2ccc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1	732058405	UUCHOHACLTXRCV-UHFFFAOYSA-N	422.828	4.863	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)CCc3ccccc3F)s2)cc1	734092871	FRHZIPGVCURMOP-UHFFFAOYSA-N	411.502	4.884	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1ccccc1OCc1ccc(Cl)cc1Cl	734261089	QECQMSFXCPOEDJ-UHFFFAOYSA-N	423.687	4.773	50	20	HJGD	
O=C(N[C@@H](Cn1cccn1)c1ccccc1)NN(Cc1ccccc1)c1ccccc1	741429411	ZHPPTQVGTBKUCF-DEOSSOPVSA-N	411.509	4.545	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=C(C)c2cc3cccc(OC)c3o2)cc1Cl	741770450	BUQHKTYMTUWFSH-UHFFFAOYSA-N	417.849	4.658	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1	741856360	NLFIZLIRARDXPI-UHFFFAOYSA-N	406.511	4.775	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(C#N)o2)c(C)n1-c1ccc(OC(F)F)cc1	742350372	YZWFIDHZGBHSJU-GDNBJRDFSA-N	407.376	4.950	50	20	HJGD	
CCC(CC)(CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)SC	743697005	DKXGCLJFDXDXFC-UHFFFAOYSA-N	400.548	4.611	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Oc2cccc(NC(=O)OC(C)(C)C)c2)cc1	744247885	ZHXXDJKRFTVTRY-LGMDPLHJSA-N	408.454	4.945	50	20	HJGD	
COc1ccccc1C[C@H](C)N(C)CCP(=O)(c1ccccc1)c1ccccc1	744413032	METIAOHVCRTGCS-NRFANRHFSA-N	407.494	4.572	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNC(=O)CSc1ccc(Cl)cc1	744729528	XOINNAUCFKJVFV-UHFFFAOYSA-N	416.909	4.524	50	20	HJGD	
Cc1cc([C@H](NC(=O)NNC(=O)OC(C)(C)C)c2ccccc2Cl)ccc1F	745856245	CNMOIMDIECWPCT-KRWDZBQOSA-N	407.873	4.616	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C)C1CCOCC1	746410989	WCZPDJZXNTUUIC-AMCKHAKVSA-N	405.542	4.631	50	20	HJGD	
CCOc1ccc(-c2nc(CC(=O)NNc3cccc4c3CCCC4)cs2)cc1	748577149	AOWQOXXIXMFEGX-UHFFFAOYSA-N	407.539	4.773	50	20	HJGD	
CC[C@@H](C)n1c(SCC(=O)NNc2cccc(Cl)c2)nnc1-c1ccccc1	749842756	KNGAXPZYLGOOSV-CQSZACIVSA-N	415.950	4.805	50	20	HJGD	
COC(=O)C[C@@]1(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCOC1	752989966	HVQORZREIOPEMO-HNNXBMFYSA-N	418.384	4.578	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cc(Cl)c(OC)cc1Cl	753887878	QELWKYHDLWRSSG-MLPAPPSSSA-N	421.280	4.914	50	20	HJGD	
Cc1ccnc(NNC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)c1	755847185	NBHVWOHVKGRXQQ-UHFFFAOYSA-N	411.918	4.568	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cccc(OC(C)C)c2)c1C	756053027	LSJDFBSZPXJPLM-AYBNGVQBSA-N	423.557	4.665	50	20	HJGD	
CC(C)c1ccc(Sc2ccc(NC(=O)NNC(=O)Cc3ccncc3)cc2)cc1	756294309	GTEXWYAJJIOCQR-UHFFFAOYSA-N	420.538	4.752	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)Nc1cc(C(F)F)ccc1Cl	757733597	CBFRXBGYVUDOBG-UHFFFAOYSA-N	403.816	4.826	50	20	HJGD	
O=C(/C=C/c1ccc(Cl)nc1)NNc1ccc(Br)cc1C(F)(F)F	759038793	VVLACGKFADPNKG-QHHAFSJGSA-N	420.616	4.673	50	20	HJGD	
C[C@@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)C[C@H](c2ccsc2)O1	759751752	XLOTXZISWVOTLV-AUSIDOKSSA-N	411.507	4.524	50	20	HJGD	
COC(=O)c1cc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)oc1C	762457796	VLJGSMJADHZLNI-UHFFFAOYSA-N	421.365	4.833	50	20	HJGD	
Cn1nc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c2ccccc2c1=O	762519628	VHILLYAXHYSUMY-UHFFFAOYSA-N	405.348	4.843	50	20	HJGD	
NC(=O)c1ccc(OCCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762521526	OJZNWZMUVXVUKS-UHFFFAOYSA-N	410.364	4.851	50	20	HJGD	
CO[C@H](CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1	762636474	UHUCZLVBEGXJPG-OAHLLOKOSA-N	424.391	4.786	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c(OCc2cccnc2)c1	766482714	DHNJHTFQTZXEBL-MTJSOVHGSA-N	413.477	4.832	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)OCC(=O)Nc1ccccc1-c1ccccc1	766745251	BHOKLMUMZXSAJT-SFHVURJKSA-N	404.304	4.645	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1	767917292	PFHDWTWDEZDXIR-YVLHZVERSA-N	404.378	4.565	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2c(F)cccc2Cl)o1	770190409	IBQRQJXVELCBSD-UHFFFAOYSA-N	410.836	4.990	50	20	HJGD	
C[C@@H](c1ccccc1)n1ccc(NC(=O)NNc2ccc(Br)c(F)c2)n1	771177812	IKSRICWANCYQEM-LBPRGKRZSA-N	418.270	4.543	50	20	HJGD	
Cc1cc(NNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)ccc1Br	773458657	JZXRMFCTXKFEKB-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
CCOC[C@@H]1CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777946927	FLCUAQVUKYBNJF-GFCCVEGCSA-N	409.442	4.781	50	20	HJGD	
O=C(NNc1ccccc1)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1	784764876	DZFOAGLWQKBHET-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
N#CCCCOc1cccnc1NC(=O)NNc1c(Cl)cc(Cl)cc1Cl	786145285	PRJBNRKMYYUDBC-UHFFFAOYSA-N	414.680	4.873	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1c(F)ccc(Br)c1F	799889580	PZERNWWIAYXQAK-LUAWRHEFSA-N	407.214	4.672	50	20	HJGD	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	804462067	CYBSGAOSWWOQFM-WSDLNYQXSA-N	423.557	4.748	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl	805385360	RYXOSPCDGXAWEV-UHFFFAOYSA-N	421.844	4.652	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](C)c2ccc(F)c3ccccc23)c2ccccc2n1	807623908	SDNZPZXHCPTDSR-HNNXBMFYSA-N	416.456	4.541	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2C)c1C	807724998	LVZCBRZSWHPDDV-VJOZSWGJSA-N	409.530	4.625	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)cc1)c1ccccc1	807950512	VQPFPGRVIXXWTJ-KRWDZBQOSA-N	418.497	4.677	50	20	HJGD	
CC1(C)CCC[C@@]1(O)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	815061153	LCBLXQIOGQTQHQ-CQSZACIVSA-N	409.442	4.564	50	20	HJGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1	916128877	HHLYUSWMGCJAAL-GDNBJRDFSA-N	422.897	4.968	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	920064594	HKQDVWQKOKOXGM-LFIBNONCSA-N	411.421	4.575	50	20	HJGD	
O=C(COC(c1ccccc1)c1ccccc1)NNc1ccc(Br)cc1	932523099	LQJPJHWAIOZBDG-UHFFFAOYSA-N	411.299	4.698	50	20	HJGD	
O=C(NC1CC1)[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	1116756594	OIMKWHBHJUQTLC-NSHDSACASA-N	413.412	4.867	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1Cl	1319068709	PFUCIRLOOBEOQF-KBPBESRZSA-N	416.909	4.796	50	20	HJGD	
CC(C)c1noc(CCNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n1	1338783864	QRGDZOAGIYYNRD-AWEZNQCLSA-N	422.860	4.777	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1	1787276868	TYBJMZSLJAZAFH-OAHLLOKOSA-N	421.360	4.669	50	20	HJGD	
C[C@H](C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cccs1	1791607202	NQDHSLXCUGTWDO-LBPRGKRZSA-N	411.354	4.789	50	20	HJGD	
CC(C)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Cl)cccc1Cl)C2	1792884028	SRBLGYGEDBLYIQ-CLLJXQQHSA-N	417.764	4.510	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC2(CCN(C(=O)/C=C/C3CCCCC3)CC2)C1	1805261630	QNTRBSDKZYTJSO-MDZDMXLPSA-N	409.014	4.619	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1	1830309906	MECOSBMRPVTTLW-VXKWHMMOSA-N	416.993	4.815	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(F)cc2)c1Cl	7156996	PXIYFKRIDQSDSP-GZTJUZNOSA-N	408.864	4.886	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)OC3CCCCC3)c2)cc1	14178789	JDKSIBTVJMPYAM-XMHGGMMESA-N	404.466	4.730	50	20	HJGD	
N#CC(=C\c1cnn(Cc2ccccc2)c1)/C(O)=N/c1nc(-c2ccncc2)cs1	27122408	WKCFBQPGGVIOMF-VXLYETTFSA-N	412.478	4.645	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(COC(C)C)cc2)c(C)n1C[C@@H]1CCCO1	195639688	BUMUWLANFCODQD-JGTYQCAFSA-N	421.541	4.755	50	20	HJGD	
C=CCOc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC	207899150	WPMUWHAZGRDSHT-DHDCSXOGSA-N	424.305	4.905	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CSc2ccc(C(C)C)cc2)cc1	727495415	PCVHYYQNNFNPOR-UHFFFAOYSA-N	417.600	4.707	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1C	728875685	GAAWYOAZHHZPGF-OOIVEFLKSA-N	411.933	4.675	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)cc1	730672314	GCLSFDDQPFDMII-GOSISDBHSA-N	424.504	4.915	50	20	HJGD	
COc1cc(C=NNC(=O)C(C)(C)c2ccccc2)c(-c2ccccc2)cc1OC	731151223	SXPRQCPENCLODL-UHFFFAOYSA-N	402.494	4.799	50	20	HJGD	
CCc1nnc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)o1	732309876	JFOOFRWAPUQVKU-ZXMBATIKSA-N	424.888	4.904	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)N(C)c1ccccc1	732716487	RWIYOQGLCNCBDY-ATVHPVEESA-N	408.864	4.602	50	20	HJGD	
O=C(NCCOc1cccnc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	734060033	MHRRKTXSBRDNSU-CQSZACIVSA-N	405.829	4.501	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCS[C@H](c3ccccc3)C2)c1C	735455000	ZYDHAPYWNBAHRR-LUMUHCBBSA-N	423.582	4.536	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc3ccccc3n2C)c(C)n1CCC(C)C	736218223	JJIBMFHZDIZVLE-SXZORUHJSA-N	417.557	4.822	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](Cn2cccn2)c2ccccc2)c1C	741197425	PZFBUQYPMSYBKQ-HDMRQQGGSA-N	415.541	4.566	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)c1cccc2ccccc12)c1ccccc1C(F)(F)F	741575807	NMPVYBLRIDOOOA-AWEZNQCLSA-N	400.400	4.813	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cc2c(ccc3ccccc32)o1	741770082	DTMSOUGAZYAJMR-UHFFFAOYSA-N	421.478	4.535	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1ccc([N+](=O)[O-])cc1F	742005354	UWXKNWKRHLLEOW-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c(C)c1	743763259	DIIQSEBNNDFTME-GOSISDBHSA-N	420.340	4.667	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OCCC2CCCCC2)c(-c2ccccc2)n1	744247648	UPOUXNCFLQLRNU-PGMHBOJBSA-N	402.498	4.884	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c2ccccc2n1	745876553	QOAIPGHJLBPSLB-LTBCBRHQSA-N	422.916	4.538	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CCCC2)c1C	749137076	CXKRVUXQYJJSJO-ZNBBLSJYSA-N	411.468	4.553	50	20	HJGD	
Cc1cnc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)s1	750087168	BEHOMBKSKISJPY-YQYFLZKSSA-N	408.502	4.783	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	754425188	PUSDWMPDOKBELQ-IYJAJMOOSA-N	405.361	4.688	50	20	HJGD	
C=CC(=O)Nc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(CCCC)c2C)ccc1F	758281774	KTMFRSVKIJEZJU-PDGQHHTCSA-N	408.477	4.714	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)NC1CCN(c2cccnn2)CC1	760130256	UNMZFNHQNJPDEA-UHFFFAOYSA-N	423.411	4.925	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2ccc(OC(F)F)cc2)c1-c1ccccc1	760462647	GDDSHNOKYNMDDB-UHFFFAOYSA-N	400.429	4.564	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c(Br)c1O	761013394	SKENHHXXTOTGDT-IZZDOVSWSA-N	415.218	4.574	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H](CCO)C1CCOCC1	764726213	RNXFPFWCJVPQNW-CQSZACIVSA-N	404.401	4.643	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(OC(F)F)c(Br)c3)nc12	768266358	BIIUWWWOVTXCKM-WDZFZDKYSA-N	405.202	4.694	50	20	HJGD	
CCc1nn(C)cc1/C=C(/C#N)C(=O)c1cc(C)n(Cc2ccccc2Cl)c1C	770569815	WYMVIONVWKSKQG-WQRHYEAKSA-N	406.917	4.892	50	20	HJGD	
COC(=O)c1cccc(NC2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)c1	771092897	PKNOFQCYTFECKZ-IBGZPJMESA-N	422.616	4.590	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccccc1C(=O)c1ccccc1	771691937	YAMOYOQLZCSNRW-UHFFFAOYSA-N	413.246	4.576	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@@H]1C[C@H]1c1ccccc1	772968996	JGTRKCJBGFXJPE-LSDHHAIUSA-N	406.376	4.955	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CC[C@@H](c2ccco2)C1	773257850	ZABMNESAIYFSBV-LLVKDONJSA-N	410.364	4.892	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(N2CCc3ccccc3C2)cc1	775276040	YPVLEXALOBKPJX-UHFFFAOYSA-N	413.308	4.708	50	20	HJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2ccc(-c3ccccc3)nn2)s1	776167036	NJSLJCSIFBYKLU-UHFFFAOYSA-N	401.495	4.641	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1coc(-c2ccccc2Cl)n1	776522377	LCLSGQYZCPSFKS-UHFFFAOYSA-N	423.606	4.885	50	20	HJGD	
CN1CCC(C)(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	780476613	XUJAQWKAQOWYAL-AWEZNQCLSA-N	409.905	4.759	50	20	HJGD	
COc1ccc2cc(-c3cc(C(=O)NN=c4cc[nH]cc4)c4ccccc4n3)ccc2c1	780762047	VLPARMQXQHVPHB-UHFFFAOYSA-N	420.472	4.637	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3sc(C)nc3c2)c1C	781203512	RJKSKENGRVYVLK-UHPUNMKFSA-N	408.527	4.776	50	20	HJGD	
CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)NNc1ccccc1Cl	782107492	WYPIUNXSZAKKIA-UHFFFAOYSA-N	418.925	4.503	50	20	HJGD	
N#C/C(=C\c1cc2c(cc1OC(F)F)OCO2)C(=O)c1cccc(C(F)(F)F)c1	782369805	PTQONVJTUAJODH-UUILKARUSA-N	411.282	4.825	50	20	HJGD	
O=C(/C=C/c1cccs1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783460554	DCWROFODJJPKAC-FPYGCLRLSA-N	419.418	4.924	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c(C2CCCCC2)n1	783687802	FBFJOVKPUBCKTK-RVDMUPIBSA-N	413.319	4.776	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)CCCC[C@@H]2CCSS2)C1	783844111	HRDRYKQVVHEPJB-ARFHVFGLSA-N	402.626	4.653	50	20	HJGD	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1Cl	787085535	YMDFBLKBHHDFEV-UHVIJJLKSA-N	423.900	4.606	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2F)C2CC2)c1C	790276484	RXDJVMXQNPEDOM-KKJJZKEWSA-N	409.505	4.550	50	20	HJGD	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	790588246	QLZINBHJVODYDI-SNVBAGLBSA-N	420.853	4.559	50	20	HJGD	
CN(NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1	790923333	ZDDBXBMDCZPLRF-IBGZPJMESA-N	407.436	4.524	50	20	HJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3cc(F)cc(OC)c3)s2)cc1	792268660	YWEBPABBZKGOQH-UHFFFAOYSA-N	415.490	4.676	50	20	HJGD	
CSc1ccccc1C(=O)NNc1c(Br)cccc1Br	801503453	QQCXPPHFRZRFQW-UHFFFAOYSA-N	416.138	4.690	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c2ccccc2n1	804211532	TYDUAUWUDKWXMZ-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCc3occc3C(=O)O)cc2)cc1C	809160315	MMGJLTWBPSNNSL-UNOMPAQXSA-N	401.418	4.964	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	817007201	QRKTZPHLGPKVRY-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1	914472157	LJQDPMQJDGYQGS-MLPWYGTASA-N	409.493	4.557	50	20	HJGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1ccc(-c2nc3ccccc3s2)o1	916340267	RQSJLJCDXXFUIG-ZDUSSCGKSA-N	409.442	4.613	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)c1ccc2ccccc2c1	917546694	FHPJNHLWFNHVHY-UHFFFAOYSA-N	402.885	4.810	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc(CN3CCCC3)c2)c(C)n1CC(C)C	920445277	UTEYNXPQTNZGHF-QFEZKATASA-N	418.585	4.580	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccnn2Cc2ccsc2)c(C)n1CC(C)C	1317724375	SAVBGHBZNXQHPE-JMIUGGIZSA-N	407.543	4.613	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNC(=O)c1ccccc1Cl	1318992335	LRFHSKQHJABKCL-UHFFFAOYSA-N	410.857	4.606	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)on3)cc2)CCC1	1787546791	XPHLOKYBGLUGTF-INIZCTEOSA-N	403.910	4.563	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccn3)CCC2)cc1	1790486583	GWFCTFRLWBVLET-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@](C)(Cl)CCl)cc2)CCC1	1790495106	SQXKICPDWVRHMC-HXUWFJFHSA-N	409.357	4.550	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)[nH]n1	1815317441	VXWJTVSUAAZDHG-DBYORWSCSA-N	420.966	4.584	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1	1815568179	WUNPWJRZRTZESH-TZMCWYRMSA-N	422.879	4.542	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)CC1	1830503718	HWVNGOAVKOBGPK-SFTDATJTSA-N	422.972	4.775	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(F)cc2)c1Cl	211440852	PXIYFKRIDQSDSP-BOPFTXTBSA-N	408.864	4.886	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cnc(-c2ccccc2)s1	727256932	QPNOQCJKWWBRDR-MRXNPFEDSA-N	401.491	4.881	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(Oc2ccccc2)cc1	727794512	LGUWMFCRTJEADP-UHFFFAOYSA-N	401.249	4.861	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc(C)c(Cl)c3)cc2)cc1	728600467	HUODCMSJBDGIQL-UHFFFAOYSA-N	414.914	4.547	50	20	HJGD	
C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	730244482	WVPDCLPFPWYGJP-WBVHZDCISA-N	416.653	4.852	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1Cl	730434346	KBVHXWYYGRRCNV-MDWZMJQESA-N	421.280	4.873	50	20	HJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	732977995	CUMVTANXKCFECA-UHFFFAOYSA-N	415.840	4.686	50	20	HJGD	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNc5cnnc6ccccc56)(C4)C2)C3)cc1	733808967	PUGUYWCOKKZCAX-JKRLWXMKSA-N	412.537	4.920	50	20	HJGD	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NN=c2cc[nH]c3ccccc23)c1	735115064	CGFNPKGPDLMIPW-UHFFFAOYSA-N	414.852	4.731	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3c(F)cccc3F)nn2-c2ccccc2)cc1	735693238	ZSIAUWBYPDTQAT-UHFFFAOYSA-N	420.419	4.583	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(C)nc3ccccc23)c1C	735889989	OTHDQCBYTPUIAC-UMUMUWHJSA-N	417.509	4.819	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(Oc2ccc(F)c(F)c2)cc1	740087263	MJSOBXOIWBGHOH-UHFFFAOYSA-N	409.314	4.928	50	20	HJGD	
O=C(NNC(=O)c1cccc(C(F)F)c1)Nc1ccc(Br)cc1Cl	743831711	UIJNSENIRLWXKH-UHFFFAOYSA-N	418.625	4.507	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c1	748380279	NTDVGYZXWFLXNV-UHFFFAOYSA-N	403.269	4.949	50	20	HJGD	
O=C(NNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1ccc2ccccc2c1	751353469	GRZXYPIUIFWWGS-BXBLUCELSA-N	416.443	4.750	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccnc2-c2ccccc2)c1C	755157353	HCXRYTDCNLSKFB-SDLXJUDFSA-N	414.509	4.920	50	20	HJGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2c(Cl)cc(Br)cc2Cl)C1(C)C	759891701	MPRIFYHRKPWRNL-KOLCDFICSA-N	422.150	4.840	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC)c(O)c2Br)c1C	761015788	QWHVRCZTMSDXDW-GDNBJRDFSA-N	415.287	4.558	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2ccc(Cl)nc2Cl)cc1	761476337	GXMFHBOXWQYEFH-GDNBJRDFSA-N	412.280	4.737	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2OCC(F)F)c1C	762385033	FPRKEWBTTHMSAS-PACYTGELSA-N	417.456	4.502	50	20	HJGD	
CN(C)c1ncnc2c1cc(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)n2C	762518925	XOKSWASKTWDJEC-UHFFFAOYSA-N	421.395	4.944	50	20	HJGD	
Cc1nc2scc(C3CC3)n2c1C=NNC(=O)c1ccc(COc2ccccc2)o1	764666531	MEHMYOCZBXUGHZ-UHFFFAOYSA-N	420.494	4.518	50	20	HJGD	
COc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)sc1Br	767402454	NCASKVFBCHPADA-UHFFFAOYSA-N	414.083	4.722	50	20	HJGD	
CCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ccccc2C(F)(F)F)c1	769966315	MNPFHDIPLRDHGB-UHFFFAOYSA-N	400.788	4.856	50	20	HJGD	
COCCc1nc(C)c(C(C)=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)s1	770595806	HEBHAQOGINXOMU-UHFFFAOYSA-N	417.531	4.662	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(-c2ccccc2)n1	771521273	SRACJRGTXSQIIC-PTNGSMBKSA-N	410.449	4.947	50	20	HJGD	
O=C(NCC1Cc2ccccc2C1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773279491	LXEZUJDBDJUILG-UHFFFAOYSA-N	420.403	4.814	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ccnc(Oc3ccccc3Br)c2)cc1	775641463	RDBPRKYJSNIFGY-UHFFFAOYSA-N	424.258	4.657	50	20	HJGD	
CCN(CC)c1nc2sc(C(=O)NNc3nc4ccccc4cc3C)cc2s1	777481773	UDHRSVKYBBDISB-UHFFFAOYSA-N	411.556	4.818	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)[C@H](C)Cc1ccsc1	778227081	UDFCTFMGZOQMBX-YDENCQFZSA-N	413.587	4.761	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl	780148978	VXGAKLXCNLOUSQ-CHHVJCJISA-N	415.255	4.923	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CCCC[C@H]2CCSS2)CC1	781367184	ZEFJIIZAQNPDGL-HOTGVXAUSA-N	402.626	4.606	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NNc1cc(Cl)ccc1Cl	783368853	AIYIUEGGZGYSKJ-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(Cc3ccco3)c2C)cc1	787150893	HWHWWPLTHIYLHZ-RSZPVBOMSA-N	403.482	4.539	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn(C2CCCC2)c1CC	789849928	KYRJEICVDZNFAH-UHFFFAOYSA-N	405.340	4.642	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1cccc(C(F)(F)F)n1	795116041	FNWCFQJBSBECEN-UHFFFAOYSA-N	410.396	4.513	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ncccc1Oc1ccccc1	799730722	CPXMUWUJFGSKKF-UHFFFAOYSA-N	406.511	4.629	50	20	HJGD	
COCCC[C@@H](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccc(Cl)cc1	804128151	TZVRVMUWDIFTMY-UZNZLNSGSA-N	400.881	4.713	50	20	HJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(/C#N)C(=O)N(CC(F)(F)F)C1CC1	811690908	HNWSPSGARBZIEA-RXAUVDRZSA-N	400.347	4.695	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812245803	YCKWQHSAGDVVBG-ZSOIEALJSA-N	414.252	4.914	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccn(C2CCCC2)n1	817016455	VZSNBBPYUBFPBF-UHFFFAOYSA-N	406.330	4.793	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(C(C)(F)F)cc2)c1C	817462173	HTOUMOXCJBRBNJ-MBTVCVBTSA-N	415.484	4.647	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)c1cc(C)ccc1C	914524930	SDDMEMXOAZBVOI-DZSAKIAFSA-N	405.542	4.861	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@H](c1ccccc1)c1cc2ccccc2o1	916227815	NCVUMGMJBWUYBG-HSZRJFAPSA-N	424.460	4.648	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3n2)c(-c2ccccc2)n1	919843690	MHZFGRDQSBZIDH-HMMYKYKNSA-N	418.460	4.558	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)Cc1csc(Cc2ccc(F)cc2)n1	920875781	LEUZNBKUXFFBLC-UHFFFAOYSA-N	400.431	4.546	50	20	HJGD	
O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)c1cncn1-c1ccccc1	1318596471	ITDIBRLWKXBVDL-UHFFFAOYSA-N	405.461	4.785	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cccc2cccnc12	1788584077	KUODVXUOSDENCO-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccn(C)c34)cc2)CCC1	1789060654	JRDKJHCGOVFBRX-HXUWFJFHSA-N	423.944	4.943	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@](C)(Cl)CCl)cc2)CCC1	1790489467	SIEFQWYTMUJCKZ-YJBOKZPZSA-N	419.780	4.764	50	20	HJGD	
Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)c1	1791606840	FWXKCZJOUWJZLL-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@](C)(Cl)CCl)CCC3)cc2)o1	1791947661	BISXMSWKIJZGHU-FQEVSTJZSA-N	423.340	4.501	50	20	HJGD	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1	1814693275	KYTRHRMCOWFRKC-MRXNPFEDSA-N	408.974	4.659	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)s1	1825785548	NDVWJZGMBHOWMK-QGZVFWFLSA-N	411.011	4.555	50	20	HJGD	
Cc1nn(C)c2ncc(NC(=O)/C(C#N)=C/c3cc(C)n(C4CCCCC4)c3C)cc12	24032873	ZUVYZSMUWZCHTP-YBFXNURJSA-N	416.529	4.746	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1cccs1	213279385	NHLOMCZCPKDUAY-UNOMPAQXSA-N	404.491	4.559	50	20	HJGD	
CCc1cc(NNC(=O)c2cc3ccccc3c3cccnc23)nc(-c2ccccn2)n1	303588367	GYQMDOMBZDDGRD-UHFFFAOYSA-N	420.476	4.559	50	20	HJGD	
O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NNc1ccccc1C(F)(F)F	726158621	QQRPEKHEVSOVAG-UHFFFAOYSA-N	416.359	4.578	50	20	HJGD	
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)C(C#N)=C1Nc2ccccc2N1	728985762	VDUPJLGINKJPDG-NSHDSACASA-N	423.885	4.712	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)C1(c2ccc(Cl)cc2)CC1	729275671	RIBYTVWEERAUBQ-UHFFFAOYSA-N	400.103	4.931	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC(c4ccc(C)cc4)C3)s2)cc1	729816442	LXPWJWQILLHDCZ-UHFFFAOYSA-N	405.523	4.978	50	20	HJGD	
Cc1nc(C)c(CCNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)s1	731021580	JDFWAMJYEXAEJX-XDHOZWIPSA-N	422.529	4.572	50	20	HJGD	
N#C/C(=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)N(CC(F)(F)F)C1CC1	732714546	AFZBAIRIKPILAG-QCDXTXTGSA-N	417.214	4.772	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCCc2nccs2)c1C	733257685	WWVQGAMRIQEIAE-ZHZULCJRSA-N	404.539	4.515	50	20	HJGD	
CCn1cc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cn1	733785057	PGLCDVQVUHDIKA-KEBDBYFISA-N	421.932	4.530	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1C	734396962	IIUUNGHRQYLHNH-BYWZACNXSA-N	423.532	4.797	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccccc1Oc1cccnc1	741977089	FPFMPGRZJDTOAR-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
CN(C[C@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1)C(=O)OC(C)(C)C	742882374	HKRXBSWVJRSSLD-HZPDHXFCSA-N	402.626	4.558	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC(F)F)cc2)c1C	748436833	QSRNVAULIMEZHY-BFERYNQYSA-N	417.456	4.502	50	20	HJGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NNc1ccc([N+](=O)[O-])cc1Cl	748725750	LWWLRRAFBFKCSY-UHFFFAOYSA-N	422.677	4.723	50	20	HJGD	
O=C(CSC1=NCCS1)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	750087428	ZNVAJUNIDAGKKE-UHFFFAOYSA-N	423.485	4.909	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(-c3cscn3)cc2)c1C	750750951	ADOLNPAZTLTWBU-UWSDUSPXSA-N	421.522	4.948	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c(C)n1C[C@@H]1CCCO1	751350751	DATDGPQNDXOJCB-XXICGQFKSA-N	417.553	4.596	50	20	HJGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	752972192	HCQYFFXDFFAJLK-UHFFFAOYSA-N	406.336	4.682	50	20	HJGD	
CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752983287	PBZYNJOYPRSMTR-OAHLLOKOSA-N	420.400	4.558	50	20	HJGD	
Cc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)cnn1-c1cccc(Cl)c1	754143540	NECSNBMPNYKQDJ-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
CN(Cc1ccccc1)Cc1cccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1	754471310	YLXRKRKPKAIBDZ-UHFFFAOYSA-N	423.520	4.533	50	20	HJGD	
CSc1ccc(C)c(NC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1	757909003	ABQAGDNFXZQUDZ-UHFFFAOYSA-N	421.522	4.616	50	20	HJGD	
CCC(CC)(C(=O)NNc1ccccc1Br)c1ccc(OC)c(OC)c1	759976954	YIXUZTMGDSWCIE-UHFFFAOYSA-N	421.335	4.667	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2O)c1C	760424829	COLVLNWCNSQJAK-CJTQKWKHSA-N	422.312	4.870	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OC)c1	760809096	ZCQZRQSMCGRVTP-RIYZIHGNSA-N	415.287	4.629	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(Br)c1O	761015449	MJFIJGFRFYCDCT-RVDMUPIBSA-N	423.266	4.862	50	20	HJGD	
CCCn1c(C)nnc1COC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	763620440	COPRRRJIDQCTAB-MOSHPQCFSA-N	409.534	4.570	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)[C@H]1CCCc2cccnc21	766761140	KHPPIWTTYJNESY-NSHDSACASA-N	415.118	4.714	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(Br)cnc1Cl	768012287	IITTZQOWJXRJDZ-UHFFFAOYSA-N	413.461	4.700	50	20	HJGD	
N#Cc1ccc(CSc2nnc(NC(=O)NNc3ccccc3Cl)s2)cc1	769970549	FWVNNWOMDJUXKY-UHFFFAOYSA-N	416.919	4.504	50	20	HJGD	
O=C(NCc1cccc(COCc2ccco2)c1)NNc1c(F)cccc1Cl	771290553	MYDLYIGAGUZNFI-UHFFFAOYSA-N	403.841	4.615	50	20	HJGD	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1OC	772180411	WVCMBKBZOMXZTQ-AUWJEWJLSA-N	404.235	4.785	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNc3ccc(C(F)(F)F)cc3)cn2)cc1	775503646	LKGOFDUPNJXXIV-UHFFFAOYSA-N	413.359	4.913	50	20	HJGD	
C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	776065919	KJYHOIKERPEZIQ-MEDUHNTESA-N	408.873	4.705	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2OC)c1C	776406923	BPEAPMXYOHUERN-VEJKBTLKSA-N	401.894	4.520	50	20	HJGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c1OC(F)F	777871325	KTFSXWTYNCWCSX-OQLLNIDSSA-N	412.421	4.661	50	20	HJGD	
O=S(=O)(Nc1ccc(Oc2ccccc2F)nc1)c1ccc(CCCl)cc1	782484462	WSJADXMUSKVWRU-UHFFFAOYSA-N	406.866	4.595	50	20	HJGD	
Cc1noc2ncc(NS(=O)(=O)c3ccc(S(F)(F)(F)(F)F)cc3)cc12	782913464	RCGKMJOLUZCBKO-UHFFFAOYSA-N	415.365	4.989	50	20	HJGD	
C[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978765	DZVFQWSIGQCUKE-ZDUSSCGKSA-N	422.485	4.887	50	20	HJGD	
CCCN(C(=O)c1ccccc1NC(=O)NNc1ccc(Cl)c(OC)c1)C(C)C	788640167	FLJGUEZHPGUMOC-UHFFFAOYSA-N	418.925	4.758	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1cccc([N+](=O)[O-])c1C	793709459	AFWUWPYOXMUOCU-UHFFFAOYSA-N	400.822	4.531	50	20	HJGD	
C[C@@H]1CC[C@@H](CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1	794261170	SPKHOANAPMMBJS-WKHYQZIASA-N	421.932	4.577	50	20	HJGD	
C[C@H]1COCCC1=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	794456785	RCYCELHBLFOFMA-AWEZNQCLSA-N	411.552	4.731	50	20	HJGD	
NC(=O)[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc(F)cc1	801710937	JJUDNUCMCGPNEJ-CYBMUJFWSA-N	413.343	4.831	50	20	HJGD	
O=C(NNC(=O)C1(Sc2ccccc2)CCCC1)Nc1ccc(OC(F)F)cc1	802044872	ACKGYBYRQQPKHZ-UHFFFAOYSA-N	421.469	4.546	50	20	HJGD	
CS(=O)(=O)C1(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCC1	806401016	HDHITVUKXRBQDT-UHFFFAOYSA-N	422.441	4.823	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	812767764	SPGHBQGMOLLEEV-GOSISDBHSA-N	401.551	4.599	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2c(C)cccc2C(C)C)ccc1-c1ccncc1	815657287	VDAZUONPZSZBPE-UHFFFAOYSA-N	402.498	4.571	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCc2cccnc21	817014932	DVLAWMOBYUUFHS-CQSZACIVSA-N	403.326	4.682	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1	857545854	KCNZHEZGYZAKOH-NSHDSACASA-N	400.832	4.909	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccccc1C(=O)NCC(F)(F)F	913193093	XGIILFGPEPRBFO-GFCCVEGCSA-N	406.495	4.631	50	20	HJGD	
Cc1cccc(-n2ccnc2S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)c1	914527198	NYDOVBPDFJXCJH-OAHLLOKOSA-N	401.495	4.503	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2	914844338	WNUOPSNTBLXUCS-BMRADRMJSA-N	415.493	4.656	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(N3CCCCC3)cc2)c1C	915850565	CXFNGVCMXHPCEB-XMHGGMMESA-N	405.498	4.588	50	20	HJGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1ccc2c(c1)Nc1ccccc1S2	916299934	CCYSHLHIXGHHSC-UHFFFAOYSA-N	414.490	4.686	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=Cc3cccs3)c3ccccc3n2)cc1OC	916343685	AVFLQBMYHHWVLC-UHFFFAOYSA-N	417.490	4.744	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1	1786444221	FLGDTSPGTJDBPA-IBGZPJMESA-N	424.932	4.718	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1	1791359868	MUARZIZIAHCRQM-OAHLLOKOSA-N	421.360	4.669	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](Cl)CCC)[nH]n1	1819552953	KWYGIDMOZDMYLG-WBVHZDCISA-N	408.974	4.802	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2c(F)cccc2Cl)c1C	5365274	VOKYZMFGLDPNPP-VEJKBTLKSA-N	404.869	4.755	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cs1	23215173	JXQRPVMMWAFWJL-LDADJPATSA-N	416.506	4.990	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2cccnc2)c(C)n1-c1ccccc1F	195722093	UZHIBNJWYCKZGX-VYVDHXHBSA-N	402.473	4.755	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1	734261963	XFAJAYNSMINROZ-UHFFFAOYSA-N	414.796	4.514	50	20	HJGD	
C[C@@H](CCC1CCCCC1)NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	734449253	WBHUSGWWYMXCDK-SFHVURJKSA-N	422.573	4.522	50	20	HJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NN=C3CCC(O)(C(F)(F)F)CC3)cc2C1	734745314	KQQCSIGOLYCROC-BSOCMFCZSA-N	416.509	4.852	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)c1C	737629274	SGUPAQSAOASJIZ-JCZXDDDQSA-N	421.545	4.826	50	20	HJGD	
O=C(C[C@H](Cc1ccccc1)c1ccccc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	741883445	OMZYJAKVIMKXMG-LWSGHJBASA-N	416.565	4.767	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCn2ccnc2C(C)C)c(C)n1C1CCCCC1	744462234	APIZRDATEQRGII-QNGOZBTKSA-N	407.562	4.653	50	20	HJGD	
Cc1cccc2c1CC[C@H]2NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	745806970	QGMYMUJETBKYLG-JOCHJYFZSA-N	400.482	4.685	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(Br)cc1F	748200961	KPPHCLJGUCIQAS-UHFFFAOYSA-N	424.657	4.962	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(Br)cc2F)cnn1-c1ccccc1	748202429	YPPOVGGCJDSDFU-UHFFFAOYSA-N	417.282	4.654	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCNC(=O)c1ccsc1	748670401	SWMITGFJLQUGRC-UHFFFAOYSA-N	401.557	4.595	50	20	HJGD	
O=C(CCc1ccc(OC(F)(F)F)cc1)NNc1ccc(OCC(F)(F)F)cc1	748703603	UTLDHVMPZJQYCK-UHFFFAOYSA-N	422.325	4.602	50	20	HJGD	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)CCCC[C@@H]1CCSS1)CC2	750113375	BYZVBWGYILVCJO-YESZJQIVSA-N	414.637	4.701	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cnc(-c2ccccc2Cl)s1	754473838	RGEMZTYGBOCFNW-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)F)c1Cl	755348036	HXWAAPYAGATEGN-UHFFFAOYSA-N	408.619	4.666	50	20	HJGD	
O=C(O)c1ccc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c(F)c1	762457767	UKKXLNPBUBYEEE-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
CN1CCC[C@@H]2CN(C(=O)Nc3ccccc3S[C@H](Cl)C(F)(F)F)CC[C@H]21	765871579	NIMSRZWPYRRXIL-XPKDYRNWSA-N	421.916	4.854	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NNc1ccc([N+](=O)[O-])cc1	768247452	YYZOQNUMHXAXLM-UHFFFAOYSA-N	421.240	4.633	50	20	HJGD	
C[C@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1cccc(OC(F)(F)F)c1	769973838	JJCONYVLJVOWRY-KFYUAXIPSA-N	406.242	4.716	50	20	HJGD	
CN(C)c1ccc(-c2cncc(C(=O)NNc3cc(Cl)ccc3Cl)c2)cc1	771598201	YCBRQVKOZPAAOW-UHFFFAOYSA-N	401.297	4.878	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccc(COc2ccc(F)cc2)o1	771690431	AIAWGDCHGSRIPO-UHFFFAOYSA-N	423.213	4.656	50	20	HJGD	
Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CO2	773399409	CLXBIGZQPMJXFW-CQSZACIVSA-N	422.375	4.841	50	20	HJGD	
COc1cc(/C(C#N)=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	774563260	YLJVTFUONFRVJY-BOPFTXTBSA-N	408.414	4.566	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(C(F)(F)F)cc2Cl)c(C)c1	774805370	BSHSTOHCLYETGB-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)cc1	775263417	CPSDIXKNBVAIEK-UHFFFAOYSA-N	416.268	4.789	50	20	HJGD	
CC(C)c1nccn1Cc1cccc(NC(=O)NNc2ccc3ccccc3n2)c1	775519403	NRBXMLRZPBVIOY-UHFFFAOYSA-N	400.486	4.752	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1cccc(NC(=O)c2ccoc2)c1	775582388	RIQZQHONBSDQTB-UHFFFAOYSA-N	404.348	4.699	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cnc(Cc2ccccc2F)s1	776108476	QOEQXRZAEFBUPM-UHFFFAOYSA-N	412.877	4.832	50	20	HJGD	
N#C/C(=C/c1ccc(OCCN2CCCC2)cc1)C(=O)c1ccc(OC(F)F)cc1	776259536	KHAUBYXINREKTR-CYVLTUHYSA-N	412.436	4.552	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1	776640567	LTEAQZHZGXFAEL-CGXXIYPPSA-N	404.416	4.678	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)c1	777464190	PUFWDMDHTIMWEB-VCHYOVAHSA-N	410.399	4.804	50	20	HJGD	
CCOC(=O)COc1c(Br)cc(C)cc1/C=C(\C#N)c1nc(C)cs1	781551301	JLTMUZCUMVWDCZ-VGOFMYFVSA-N	421.316	4.529	50	20	HJGD	
CC(C)COc1cccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1	782821604	PFRMSFNIHMAIET-UHFFFAOYSA-N	403.482	4.529	50	20	HJGD	
O=S(=O)(NCCNc1ccccc1)c1ccc(S(F)(F)(F)(F)F)cc1	782981373	DJHYMDFDIDBYGB-UHFFFAOYSA-N	402.410	4.734	50	20	HJGD	
CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	788718196	JWBGPTOVBBRXCQ-WDMOLILDSA-N	401.903	4.674	50	20	HJGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	788977003	GMCPUDMHPCVMOG-LBPRGKRZSA-N	403.866	4.520	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(OC)c2)c1C	790145333	BGPWQQLDWLPYIG-IREQLNLFSA-N	401.894	4.520	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c(C)n1C[C@H]1CCCO1	798008447	KBGXWLWXXFJBQA-OFOIQUAFSA-N	423.944	4.517	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)NNc1ccc(F)cc1	806371893	JDMCJNOXRUFXFY-SFHVURJKSA-N	401.482	4.561	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1cccc(C2OCCO2)c1	808849024	JGLADZILNLXXDW-UHFFFAOYSA-N	402.665	4.841	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2Br)nn1)C(=O)c1ccc(Cl)s1	811695035	ZSIFZTZZHAPKRP-JXMROGBWSA-N	419.691	4.535	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2cc(Br)sc2[nH]1	816844335	XOLQZNGUFKMMAI-UHFFFAOYSA-N	404.211	4.768	50	20	HJGD	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1cccc(Cl)n1	817012012	UBRHXDPXHJASDP-NSHDSACASA-N	423.325	4.808	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC=C(c3ccc(O)cc3)CC2)c1C	843592370	XIIKRPCCKYOJPK-KQWNVCNZSA-N	403.526	4.834	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1C	844146819	QNZXHOYCLWIPLY-VYNAPETQSA-N	409.505	4.722	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(F)cc2)C(C)C)c1C	914501824	FVXNLFMLAQOVFJ-WQFTWXBESA-N	411.521	4.796	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCCN3CCCC3)cc2)c(C)c1	914703713	YIUXGEYKQBZQRL-JWGURIENSA-N	403.526	4.632	50	20	HJGD	
N#C/C(=C/c1cnc(N2CCCC2)nc1)c1nc2cc(C(F)(F)F)ccc2s1	915987202	YHJOYNUWMXWNFU-QPEQYQDCSA-N	401.417	4.769	50	20	HJGD	
O=C(COc1ccc(Cl)cc1Cl)NNC(=S)Nc1ccc2ccccc2c1	915994419	PDGFOHJZDYARBU-UHFFFAOYSA-N	420.321	4.543	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc(Br)c1O	916132019	SCSLSXBVMRWNTO-ZSOIEALJSA-N	412.243	4.668	50	20	HJGD	
O=C(NNC(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl	916147970	QKZQBVJGCCZITP-IBGZPJMESA-N	415.276	4.575	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)C(=O)c3sccc3C)cs2)cc1	917621631	APSRQXNENXTSCI-XNTDXEJSSA-N	423.519	4.996	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccn(-c3ccccc3)n2)c(C)n1CC(C)C	917767477	UPNIFBAITWMWRL-HYARGMPZSA-N	415.541	4.512	50	20	HJGD	
CC(C)(C)C[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1	1317915691	BGJAWTBRVUUQFO-QGZVFWFLSA-N	418.335	4.571	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)CCC2)cc1	1790488881	LXYHXOZIBNDOEN-NJYVYQBISA-N	410.945	4.942	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)s3)CC2)C1	1806156390	SLOJIHVXXODYAR-CQSZACIVSA-N	417.402	4.654	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](Cl)CCC)n[nH]1	1815319437	JNXDPTXVHLLRSN-SOLBZPMBSA-N	406.958	4.578	50	20	HJGD	
Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)s1	1824010598	BQOZFWLKTCFGRV-KRWDZBQOSA-N	411.011	4.555	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)CC1	1830003159	CMWMNKHIMSPYAE-FGZHOGPDSA-N	419.009	4.944	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(Br)c2)cc1Cl	7164882	OAGJCJKVERGZNH-IZZDOVSWSA-N	409.642	4.796	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c(C)c1	7749331	JWSCGVHCLIXPDL-KGENOOAVSA-N	409.493	4.935	50	20	HJGD	
COCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1	208340851	VJAHTQRTTQMDHM-PTNGSMBKSA-N	404.438	4.572	50	20	HJGD	
C#Cc1cccc(N(C(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)C(C)C)c1	728247842	JOZFSGQVRHIMGW-GJFKPFFXSA-N	415.537	4.614	50	20	HJGD	
COc1ccc2cc(C(=O)NNc3ccc(Br)cc3Cl)c(C)nc2c1	729276283	BARHKUUFRCWVGD-UHFFFAOYSA-N	420.694	4.725	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(OCCC(C)C)cc2)c(Cl)c1OC	730430085	CDPHPTNOEATMJB-UHFFFAOYSA-N	404.894	4.546	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2)n1)NNc1ccc(Br)cc1Cl	733807558	YKRSTULDLYKWQU-UHFFFAOYSA-N	422.735	4.912	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)Cc1cccc2ccccc12)c1ccc(Cl)s1	734069220	MOIMBWIYJFMXNC-MRXNPFEDSA-N	401.919	4.579	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)c(C)n1CC(C)C	737726937	IFUWVCIRFKKJED-MEGCXXLRSA-N	420.557	4.532	50	20	HJGD	
CCc1cc(NNC(=O)c2sccc2-c2ccc(C)cc2)nc(-c2ccccn2)n1	738530826	QEUDAINPGBRUOU-UHFFFAOYSA-N	415.522	4.895	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccco1	741515333	VLRVKUBKIBTNFB-CQSZACIVSA-N	414.914	4.790	50	20	HJGD	
CC(C)C[C@H](NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1)c1ccc(Cl)cc1	745840246	QJENVUAHPFPGJP-IBGZPJMESA-N	417.941	4.529	50	20	HJGD	
CCc1cccc2c(C3CCN(C(=O)c4c(C)nn(CCCl)c4C)CC3)c[nH]c12	746152542	JJWBMDKOSJQDMT-UHFFFAOYSA-N	412.965	4.802	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3F)cc2)o1	746490539	HNBZURLMLKCHFT-UHFFFAOYSA-N	423.488	4.603	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(Cl)cc2F)cc1	747643631	LQPXFPWWEVZJGW-UHFFFAOYSA-N	404.873	4.507	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)c1ccc(Cl)cc1F	747643794	PAZMAQIZBYWCDH-UHFFFAOYSA-N	419.287	4.758	50	20	HJGD	
N#Cc1ccc(NNC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1C(F)(F)F	748622563	FBPFPODPGOFITQ-UHFFFAOYSA-N	420.391	4.525	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c[nH]nc1-c1cccc(Cl)c1	748754363	POLSLWCZZAAJTK-UHFFFAOYSA-N	405.683	4.558	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ncnn2CC(C)C)c(C)n1C1CCCCC1	754437907	PPTUQPUQCYWPNP-JAIQZWGSSA-N	409.534	4.508	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1ccc(-c2ccccc2)nn1	754471190	VEIQMVBEMXGBTP-UHFFFAOYSA-N	421.913	4.986	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3n2)c(C)c1	756280143	MMAQBQZELCVRSL-OAHLLOKOSA-N	408.527	4.900	50	20	HJGD	
O=C(NNc1c(F)cccc1F)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1	768113184	VDGVMQGIIPVSOI-GOSISDBHSA-N	402.832	4.623	50	20	HJGD	
COC[C@@H]1CCCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	768372886	YRHYTBBFCGHBEX-GFCCVEGCSA-N	416.412	4.558	50	20	HJGD	
CN1CCC2(CCCN2C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	768863435	ODJUOAFVLRXVSY-OAHLLOKOSA-N	421.916	4.998	50	20	HJGD	
O=C(CC1(CSc2ccccc2)CC1)NNC(=O)c1c(Cl)cccc1Cl	769921120	XAJOMJSITPPHII-UHFFFAOYSA-N	409.338	4.717	50	20	HJGD	
COc1ccc(COCc2cccc(NC(=O)NNc3ncccc3Cl)c2)cc1	769985606	ZFSQBQFXMLHCDP-UHFFFAOYSA-N	412.877	4.609	50	20	HJGD	
COc1cc(C(=O)NNc2c(F)cccc2Cl)cc(Cl)c1OCC(C)C	770198044	UQDNDVZTQJCYEA-UHFFFAOYSA-N	401.265	4.933	50	20	HJGD	
Cc1ccc([C@H](O)CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	770415175	XTJKOVGXEOGPRY-OAHLLOKOSA-N	417.421	4.664	50	20	HJGD	
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NNc2cccc(Cl)c2)C1	775482391	XFNYVTQMTIZDNN-GJZGRUSLSA-N	400.910	4.607	50	20	HJGD	
CSc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1C	775512877	ZPZXDCORXMZFBI-RQRMZWKBSA-N	409.555	4.860	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1	782445807	FWLASDIALMHIPZ-HVQRGMKJSA-N	412.445	4.525	50	20	HJGD	
O=S(=O)(NC[C@H]1CC1(Cl)Cl)c1ccc(S(F)(F)(F)(F)F)cc1	782983276	MTANNTYJHUBVLM-SSDOTTSWSA-N	406.225	4.816	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1	785377893	IBOFVYUYJQAYDA-JIKIWWBOSA-N	400.409	4.656	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cnc(-c3ccc(C)cc3)s2)cc1	787181652	BGMNUDBOFZSGHW-QUYZQLMHSA-N	403.507	4.912	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(F)c3F)o2)cc1	790101530	ZTJDYMUAPAYNDZ-SDNWHVSQSA-N	407.376	4.729	50	20	HJGD	
CSSCCNC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	791096430	CCELHZYOIHHQPX-LLVKDONJSA-N	402.994	4.744	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	791726071	DKDMQJANVYCZLT-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3F)co2)c1C	796009338	OOZYARDBRHDEEA-YQYFLZKSSA-N	422.460	4.652	50	20	HJGD	
CC1(C)Cc2cc(C(=O)NNc3ccc4c(=O)[nH]ccc4c3)sc2-c2ccccc21	803434060	VIHSUTLAADVTIN-UHFFFAOYSA-N	415.518	4.847	50	20	HJGD	
Cc1n[nH]cc1C1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)CC1	803637536	QJXXBEBWWBMJKR-HYARGMPZSA-N	419.573	4.955	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCOC[C@@H]1[C@@H]1CCCO1	806421620	BKALNEPNEYJXSN-KGLIPLIRSA-N	402.385	4.756	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc3sccc3c2)c1C	811589590	YEYPNTSGNUOWBZ-XYHOIZSOSA-N	407.539	4.750	50	20	HJGD	
Cc1c(C(=O)NNc2cnc3ccccc3n2)sc2ccc(Br)cc12	816114783	RTUJFBZHUYSLKD-UHFFFAOYSA-N	413.300	4.672	50	20	HJGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(-c2ccccc2Cl)s1	915112302	ZCCYUTFXFTUQGZ-UHFFFAOYSA-N	411.914	4.856	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1	918564849	AFYMEPYTIDQXHN-CBIIRDDDSA-N	423.944	4.599	50	20	HJGD	
CC(C)(C)C(=O)NNC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1	921165250	ONOLGZNNFVPDEY-UHFFFAOYSA-N	400.475	4.671	50	20	HJGD	
O=C(CCCc1ccc(Br)s1)NNc1ccc(Br)cc1	932528327	BVUWIXMNRKBJTH-UHFFFAOYSA-N	418.154	4.739	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(Cn3c(C)nc4ccccc43)o2)c1C	1323945577	HTXKQLBDGRUAPY-UNOMPAQXSA-N	400.486	4.669	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3cccc(F)c3F)cc2)CCC1	1791379478	JCXNPIPFMXGBMP-QGZVFWFLSA-N	420.887	4.659	50	20	HJGD	
CCCCCc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](Cl)CC)C3)cc1	1802144198	LEZWSPRBHZYDAG-LRSLUSHPSA-N	419.009	4.617	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1	1822957928	IPJWJRCRIGJDQL-PVEYFEBJSA-N	420.985	4.780	50	20	HJGD	
Cc1c(F)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824009920	BEZLCGUJQWZDNA-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1	1824610284	XZLLKBLWPRVKEU-IRXDYDNUSA-N	420.972	4.695	50	20	HJGD	
Cc1ccc(NC(=O)[C@@H](NNC(=O)c2ccccc2C)c2ccccc2)cc1Cl	15498591	HWXZWYAKCBNNOA-NRFANRHFSA-N	407.901	4.571	50	20	HJGD	
Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(CCCCl)cc1	110210386	QVRJYMRXOZZSOE-UHFFFAOYSA-N	402.741	4.730	50	20	HJGD	
Cc1cc(C)cc(C[C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1	303968163	RNGJLSYHVXFDRX-WNLWBNIXSA-N	419.569	4.555	50	20	HJGD	
COc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)cc1Br	727781845	YKBNBGAPQRINJT-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
CN(Cc1ccccc1-c1ccccc1)C(=O)NNC(=O)CCCc1ccccc1	727845142	GDGGULFPXCMDPA-UHFFFAOYSA-N	401.510	4.549	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc3c(F)cccc3n2CC)c1C	728617433	MGPZAGNWXQICQT-PDGQHHTCSA-N	408.477	4.674	50	20	HJGD	
COc1ccccc1-c1cc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)n[nH]1	729528716	GPBHGUFSXPNZNQ-ODLFYWEKSA-N	417.513	4.705	50	20	HJGD	
Cc1ccc(-c2ncc(C=NNC(=O)c3sc4nc(C)cc(C)c4c3N)s2)cc1	734295837	BUMSDRHXGVZHRQ-UHFFFAOYSA-N	421.551	4.691	50	20	HJGD	
Cc1cccc(COc2cccc(CC(=O)NNc3ncccc3C(F)(F)F)c2)c1	740100503	OYDGKAIYLWTOFL-UHFFFAOYSA-N	415.415	4.674	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](COCc3ccccc3)C2)c(C)n1CC(C)C	742017799	JQYKZFUXUWRMBE-VOSQNHLFSA-N	419.569	4.733	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ncc(C(C)(C)C)s2)c1C	742807551	HQKHGMYCUQZHJC-DUPVFGOHSA-N	400.548	4.612	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)c(C)n1CCC(C)C	742926060	UEAOHLBWERCSJR-PUMYGXPMSA-N	411.550	4.616	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)cc1	744501970	KOQLDZIDTDPKQC-KUGIUCCWSA-N	412.489	4.864	50	20	HJGD	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NNc1ccccc1F	748055821	OSCYHEKALFQAKY-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNc1ccc(F)cc1Br	748074129	PGKNTSZXEUGXOL-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	748812505	QZCUUFMRAPCKBC-UHFFFAOYSA-N	419.384	4.920	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(Cl)ccc1OC(F)F	748848767	YDAVYDQOMNDRIU-UHFFFAOYSA-N	413.877	4.696	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)c2cccc3ccccc23)cc1	755754940	CKQVXXDIQORVAC-XMMPIXPASA-N	420.472	4.962	50	20	HJGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNC(=O)Cc3cccc4ccccc34)c2)n1	757677225	PSNNMSXJQYTCED-UHFFFAOYSA-N	414.465	4.507	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1	758915042	QLLKNQSGXWGGMN-BKAYVGFPSA-N	403.438	4.573	50	20	HJGD	
Cn1cc(-c2ccccc2CNC(=O)NN(Cc2ccccc2)c2ccccc2)cn1	759622790	OYUPYNNAFAJHBZ-UHFFFAOYSA-N	411.509	4.508	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1	760730821	PEFAHXJTKKDVBC-PRDNPTHXSA-N	419.308	4.539	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(Br)c(F)c2)cccc1-c1ccccn1	771679263	WMRAWCMCSQKPSW-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
COc1cc(/C=C(/C#N)c2cc(SC)ncn2)ccc1OCc1ccc(F)cc1	773170008	BWPZBPRIUGGLJG-MFOYZWKCSA-N	407.470	4.989	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC(O)(C(F)F)CC1	779390648	ASJSYOMLQIVASP-NSHDSACASA-N	418.815	4.530	50	20	HJGD	
O=C(Nc1cccnc1Oc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1	782820717	FJIRFERMLZXTDW-UHFFFAOYSA-N	424.460	4.682	50	20	HJGD	
C[C@@]1(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO[C@@H]1C1CC1	784485850	LNFXSWIHLBRJJZ-ZIAGYGMSSA-N	407.426	4.580	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1	798311540	BZZYVOGWJLZHOW-UHFFFAOYSA-N	408.527	4.637	50	20	HJGD	
C[C@@H](C(=O)NNc1c(Br)cccc1Br)c1ccsc1	801502743	WFZBOMFXXKVVIP-MRVPVSSYSA-N	404.127	4.520	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cc(Cl)cs1	801504984	KQLUZUKHPJZYNG-UHFFFAOYSA-N	410.518	4.683	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H](Sc1ccccc1)c1ccccc1	803431745	GYBOONHOQUFPAI-NRFANRHFSA-N	401.491	4.505	50	20	HJGD	
CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1nncn1C	806184330	ZECUCXLEUYETRA-OCCSQVGLSA-N	421.876	4.553	50	20	HJGD	
Cc1c([C@@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C(C)C)oc2ccccc12	806791775	HZGLCUIFGPTJOI-FQEVSTJZSA-N	404.470	4.606	50	20	HJGD	
Cc1csc(Oc2ccc(NC(=O)c3c(C)nn(CCCl)c3C)cc2F)n1	807959122	NJZVTYNLKBIAQU-UHFFFAOYSA-N	408.886	4.687	50	20	HJGD	
C[C@](CO)(NCc1ccc(OCCCCl)cc1)c1cccc(C(F)(F)F)c1	811480393	WQBGYZLDGSFUSS-LJQANCHMSA-N	401.856	4.710	50	20	HJGD	
C[C@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)[C@@H]1OCCc2sccc21	813871111	IKZZAVPRZGSPTA-AYVTZFPOSA-N	404.294	4.523	50	20	HJGD	
C[C@@H]1C(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC[C@@H](C(=O)O)C1(C)C	814770038	NXXGKAOIXJLOSE-DOMZBBRYSA-N	402.491	4.797	50	20	HJGD	
CC1(C)CCC[C@]1(O)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	815061152	LCBLXQIOGQTQHQ-AWEZNQCLSA-N	409.442	4.564	50	20	HJGD	
CC(=O)Nc1cccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	914454198	SNNHBVYDYCTDSH-CBVHTYNASA-N	406.530	4.504	50	20	HJGD	
O=C(CCNC(=O)c1cccs1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918560095	WLZUMCBOWSEEQA-HNNXBMFYSA-N	422.881	4.726	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3nnc(C(F)F)s3)c2C)cc1	920229181	NQJTUPXZOKPIKN-OQLLNIDSSA-N	413.453	4.737	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccn(C3CCCCC3)n2)c1C	1116798518	FAWJPXSEWPHMIU-VJOZSWGJSA-N	409.534	4.560	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)CCC1	1790336303	YGIDERUKZMXDEF-MRXNPFEDSA-N	406.860	4.730	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1	1824009993	COSMQACRTLXRHW-UXHICEINSA-N	422.972	4.582	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1	1824616056	IKOQPNLRKYPLIN-YADHBBJMSA-N	419.009	4.944	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(F)c2)CC1	1824616132	JASBTZXOYMCVBV-FPOVZHCZSA-N	422.972	4.775	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	16782492	DQGIWNUDARMKFB-UHFFFAOYSA-N	406.555	4.549	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(/C#N)C(=O)NCc1ccccc1	33783440	LWSZXWYPTHGYIU-YBEGLDIGSA-N	411.292	4.711	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cccc3ccccc23)c1C	302891392	GHGFIGGVSOEAEN-OSVNEOKWSA-N	401.510	4.689	50	20	HJGD	
CC1(C)Cc2cc(/C=C(/C#N)C(=O)Nc3nc4ccccc4nc3Cl)ccc2O1	729149429	HLGHQVNQWLBYEY-GDNBJRDFSA-N	404.857	4.542	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3nnsc3Cl)c2C)cc1	729540191	VHJJRHMXAUFAGN-SXGWCWSVSA-N	412.902	4.558	50	20	HJGD	
CC(C)Cc1ccc([C@@H](NC(=O)NNC(=O)c2cccc3ncccc23)C2CC2)cc1	730125714	QWCSZWZCSWZJEV-HSZRJFAPSA-N	416.525	4.529	50	20	HJGD	
O=P(CCN1CCS[C@H](c2ccccc2)C1)(c1ccccc1)c1ccccc1	735494881	JMSVJEQHCVXYGB-DEOSSOPVSA-N	407.519	4.791	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC2(c3cccc(Cl)c3)CC2)c1C	740810632	RMZHHIDJRLLUCT-YDDPGSGASA-N	411.933	4.678	50	20	HJGD	
Cc1ccc(Br)cc1C(=O)NNc1ccc(Br)cc1Cl	743335641	WVMRNRYMTCGMFS-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	745816849	PEOYKLYCYWXWCK-GOSISDBHSA-N	420.460	4.720	50	20	HJGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1sc(-c2cccnc2)nc1C	747611573	UZVFQGSAMXWIIO-UHFFFAOYSA-N	400.507	4.750	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)CCc2ncc(-c3ccccc3Br)o2)c1	748408152	RHMXLVWMRSISLO-UHFFFAOYSA-N	414.303	4.797	50	20	HJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccc(Br)cc3C)o2)cc1	748731811	PESUZFIBORXTNS-UHFFFAOYSA-N	414.303	4.797	50	20	HJGD	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NNc3ccc(C#N)c(Cl)c3)c12	753315061	BDJYURZCAJYBLA-UHFFFAOYSA-N	423.904	4.971	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CC[C@H](O)CC2)c(C)n1-c1cccc2ccccc12	753728883	CAIUZJYOAOESBL-CWDMHTFKSA-N	413.521	4.574	50	20	HJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NN=Cc3cnc([C@H]4CCCO4)s3)cc2C1	755571511	CCQVDBAMPBZFDY-GOEBONIOSA-N	417.600	4.971	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1cccc(CSC2CCCC2)c1	756706948	JFFXZAAYHBWFOJ-UHFFFAOYSA-N	408.527	4.810	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2ccc(F)cc2F)c1C	760178771	WAEGFSLVBWAIFC-YCPFAOKUSA-N	414.452	4.905	50	20	HJGD	
CCc1nn(C)cc1C=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	770597272	XDPOUFNTZWAXFN-UHFFFAOYSA-N	417.900	4.615	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	772854091	OUNKQKFHCROMAJ-ARJAWSKDSA-N	418.341	4.794	50	20	HJGD	
CC(C)c1nc2ccc(NC(=O)C(=O)NNc3ccc(C(F)(F)F)cc3)cc2s1	773767814	PZTUIVDUCONBEJ-UHFFFAOYSA-N	422.432	4.520	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H]1C1CCOCC1	778058298	LVSKSDFOYYBRCJ-OAHLLOKOSA-N	421.453	4.924	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)O[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)cc(C#N)n1C	782626752	GPRJYQCJSWWXFI-CNGOAVBNSA-N	420.856	4.725	50	20	HJGD	
CC(C)C[C@H]1C(=O)NCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	782827710	LKAZHAOYDURRHQ-ZDUSSCGKSA-N	401.401	4.722	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H](c2cc[nH]n2)C1	782984851	XLMGMTRKQPVNKJ-LLVKDONJSA-N	417.425	4.635	50	20	HJGD	
C[C@@H](Oc1ccccc1NC(=O)C(=O)NNc1ccc(Cl)cc1)c1ccccc1	783337712	FSIRCNQUTFPVPO-OAHLLOKOSA-N	409.873	4.562	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cnc2c(C)cc(Br)cn12)c1ccccc1	787180910	YYIURCWKVQOMPG-XLCPLWEUSA-N	423.314	4.580	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1cccc(OCc2cccc(Cl)c2)c1	788149140	OBMIRKSVFILOQE-UHFFFAOYSA-N	415.808	4.723	50	20	HJGD	
O=C(NNc1nc2ccccn2n1)c1oc2ccccc2c1CSC1CCCCC1	791243515	CSVPRIQYTAKJCT-UHFFFAOYSA-N	421.526	4.798	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(F)cc(C(=O)OC)c2F)c1C	794237081	DDUWSFUPINXDPZ-SXGWCWSVSA-N	415.440	4.516	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(-c2ccccc2C(F)(F)F)on1	812511636	JNZNBGYLHPCYHX-UHFFFAOYSA-N	401.266	4.535	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2cccc(COCc3ccco3)c2)cc1	915199463	CILNHGDDLMZGQB-HMAPJEAMSA-N	416.477	4.618	50	20	HJGD	
COCCOC(=O)/C(C#N)=C\c1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1	915842821	XVMJYNFKOBYUDC-PDGQHHTCSA-N	424.453	4.916	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12	915985335	SPKZVXMZKPRYLY-SFQUDFHCSA-N	402.450	4.760	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(N)=C(C#N)C#N)ccc1OCc1c(F)cccc1Cl	916138061	HWPBIEDHBIWORM-NVNXTCNLSA-N	422.847	4.624	50	20	HJGD	
Cn1c(-c2ccccc2)c(C=NNC(=O)COc2ccccc2F)c2ccccc21	916301481	OSBFDEGDIMLUNU-UHFFFAOYSA-N	401.441	4.514	50	20	HJGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	916329212	YTRJNZLYZFNLEW-UHFFFAOYSA-N	421.504	4.897	50	20	HJGD	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)c1	917143005	URSMNAXRAFZINS-SXGWCWSVSA-N	421.478	4.556	50	20	HJGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12	920049278	QAYKCLSIKCAHNI-IRXDYDNUSA-N	404.514	4.589	50	20	HJGD	
O=C(/C=C\c1cc(Cl)cc(Cl)c1)NNC(=S)Nc1cccc(Cl)c1	1317726239	ZVHABMDDAJWMSP-PLNGDYQASA-N	400.718	4.678	50	20	HJGD	
COc1c(C)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)cc1C	1790737854	NHWWRHVCXOHABZ-LJQANCHMSA-N	418.896	4.594	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)cc2C)[nH]n1	1815320974	LIVTYCFFMCVTKN-PKOBYXMFSA-N	416.953	4.740	50	20	HJGD	
Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1832725267	NIXINXIEQBYMMU-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)c1c[nH]c2cc(F)ccc12	144242517	FBIRYUPVTBJCKG-WZUFQYTHSA-N	401.300	4.606	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2nc(-c3ccccc3)cs2)c1C	209704481	XAPVJQLIFNVCLV-MHWRWJLKSA-N	405.479	4.722	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(F)c2)c1C	211837957	ZFIUEZWFBQZKEE-UEXNTNOUSA-N	411.477	4.522	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c2c(c1)C[C@H](C)O2	303140319	DLNILVVPAXMJAT-IYVNWDGISA-N	416.449	4.879	50	20	HJGD	
CC[C@H](CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(C)cc1	303748847	KZIRDSHOGAXUAF-GOSISDBHSA-N	406.482	4.512	50	20	HJGD	
N#C/C(=C/c1ccccc1-n1cncn1)C(=O)Nc1ccccc1Oc1ccccc1	726741341	FBOJFYOYTIJEDI-RGEXLXHISA-N	407.433	4.605	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1csc(-c2ccc3c(c2)OCO3)n1	728438526	ZFQCELJOLYJMBA-LZYBPNLTSA-N	403.463	4.701	50	20	HJGD	
Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCCC[C@H]2CCSS2)c(C)c1	728524581	QNARZQWFQSNZKE-FUHWJXTLSA-N	424.657	4.858	50	20	HJGD	
CCCOc1ccc(C(=O)NN[C@@H](Cc2ccccc2)c2ccccc2)cc1OC	732917847	PRLVTMPWKZZJSE-QFIPXVFZSA-N	404.510	4.702	50	20	HJGD	
C[C@@H]1CN(C)c2ccccc2N(CCP(=O)(c2ccccc2)c2ccccc2)C1	741799646	DGMYLGSANCZYJJ-OAQYLSRUSA-N	404.494	4.593	50	20	HJGD	
CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCCC[C@@H]1CCSS1	744108390	FTBKTIINCOWHAV-QGZVFWFLSA-N	402.576	4.569	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CCCCC1	745838164	LZALJEOAMNRQLE-KRWDZBQOSA-N	416.525	4.815	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccc(OCc3ccccn3)cc2)cc1	747925358	CYXRVDQNSQUBLR-RCCKNPSSSA-N	414.461	4.710	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c[nH]nc1-c1ccccc1Cl	748754263	LUBZMQWMXCPMAU-UHFFFAOYSA-N	405.683	4.558	50	20	HJGD	
O=C(CCc1ccccc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1	749747945	UHJKLPPRNGLANH-UHFFFAOYSA-N	412.468	4.761	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1C	751354719	GOLIAYJVSKNVSE-XBIVCKFGSA-N	405.542	4.624	50	20	HJGD	
Cc1noc(C)c1[C@H](C)CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	752293032	GWUYQCXBFOXNNA-XLTHYULKSA-N	420.488	4.665	50	20	HJGD	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NNc1ccc(F)c(F)c1F	757143012	WIJDZIDIUBIHEK-UHFFFAOYSA-N	414.309	4.578	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)NNC(=O)c1cc(-c2ccccc2)on1	758286449	SZBPPRKOOOOGCF-UHFFFAOYSA-N	422.485	4.513	50	20	HJGD	
CCO[C@@H]1CCCC1=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	766430596	MGIAWVPRWNRCSP-HXUWFJFHSA-N	408.527	4.530	50	20	HJGD	
N#Cc1cccc(OCc2ccoc2C(=O)NNc2c(Cl)cc(F)cc2Cl)c1	767395515	GUILQAMXIMYVDF-UHFFFAOYSA-N	420.227	4.933	50	20	HJGD	
CSc1cc(/C(C#N)=C\c2cccc(OCc3ccccc3C(=O)O)c2)ncn1	773176410	LNZXVVPXIZGATF-MFOYZWKCSA-N	403.463	4.540	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NNc1ccc(C(F)(F)F)cn1	775257272	FDZFMYYKYWOYJF-UHFFFAOYSA-N	418.853	4.625	50	20	HJGD	
C[C@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)[C@H]1CCCN(C2CCC2)C1	781400055	CXJIXSSSRAAKEB-UNMCSNQZSA-N	406.574	4.560	50	20	HJGD	
Cc1cc2cc[nH]c2cc1NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	781540631	ZLWFQTXCBIWBCI-DEDYPNTBSA-N	420.476	4.799	50	20	HJGD	
Cc1csc(Sc2ccc(NC(=O)NNc3ncncc3Cl)c(C)c2)n1	782036449	IRLLESNGHAKYFW-UHFFFAOYSA-N	406.924	4.503	50	20	HJGD	
Cn1nccc1[C@@H]1CCCC(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)C1	790290605	QTMHDZPJRBPCTP-MRXNPFEDSA-N	413.481	4.672	50	20	HJGD	
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NNc3cc(Cl)cc(Cl)c3)C2)c1	791726792	INGBWOWSPHODTG-AWEZNQCLSA-N	421.328	4.689	50	20	HJGD	
CCCCCNC(=O)/C(C#N)=C\c1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1	797345812	SABIYHOOVGYUGV-PDGQHHTCSA-N	410.543	4.658	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)c1	799714922	ITNFVBFHYMELKE-UHFFFAOYSA-N	406.660	4.665	50	20	HJGD	
O=C(NNc1cc([N+](=O)[O-])ccc1Br)c1cc2cccc(Cl)c2o1	800617041	YHJCXVRAGOSVBZ-UHFFFAOYSA-N	410.611	4.514	50	20	HJGD	
C[C@H](C(=O)NNc1c(Br)cccc1Br)c1cccs1	801505684	YFZNJYPCFRRLNT-QMMMGPOBSA-N	404.127	4.520	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1ccc(C(F)(F)F)cc1N1CCCC1	803116093	GYHHBXWWSWBEJM-UHFFFAOYSA-N	401.791	4.855	50	20	HJGD	
Cc1ccc(Cc2sc(NC(=O)NNc3nccnc3C3CCC3)nc2C)cc1	806511070	CZMQTRORNYFPTO-UHFFFAOYSA-N	408.531	4.557	50	20	HJGD	
NC(=O)c1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)nc1Cl	807250818	MNHAYODGGXMIMR-UHFFFAOYSA-N	401.744	4.744	50	20	HJGD	
CC(C)c1scnc1NC(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12	808914096	ASBAFCDQYXIMAD-UHFFFAOYSA-N	421.482	4.541	50	20	HJGD	
COC(=O)c1cc(NNC(=O)c2ccc(-c3nc4ccccc4s3)s2)ccc1C	816689505	LSZIPXUOHOODFV-UHFFFAOYSA-N	423.519	4.877	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1NC(=O)c1ccco1	913188129	ITPFFGMROPBFLA-UHFFFAOYSA-N	420.856	4.799	50	20	HJGD	
Cc1cccc2cc(C=NNC(=O)COc3cccc(C(F)(F)F)c3)c(Cl)nc12	916294108	AWRQNSUEHDHTBH-UHFFFAOYSA-N	421.806	4.745	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cnn1C	1251798635	KFJSKRUIYRJYHO-GDXCHIGESA-N	421.932	4.574	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cnn1C	1322871646	JHMZOMZWMZHJDE-YMTOWFKASA-N	406.861	4.831	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3[nH]cc4c3CCC4)CCC2)cc1	1786445192	XUBLGGHWGHLJSY-IBGZPJMESA-N	413.949	4.659	50	20	HJGD	
Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)s1	1787332974	DCLGXYWMCNKFOQ-UHFFFAOYSA-N	419.978	4.773	50	20	HJGD	
CC(C)(C)c1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)ccn1	1788580490	SIUXWHLRRQJUOC-GOSISDBHSA-N	417.912	4.661	50	20	HJGD	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)[C@H](F)Br)cc2)CCC1	1790539051	PMJMWCAASIFHHH-KRWDZBQOSA-N	411.315	4.557	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCCC3(F)F)CCC2)cc1)C(Cl)Cl	1791605580	WGWBXJCLGRQGPU-AWEZNQCLSA-N	419.299	4.750	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)CCc3ccoc3)cc2)CCC1	1791954438	SKZDHLFPVOAZBK-UHFFFAOYSA-N	402.922	4.611	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(C)s2)n[nH]1	1822736393	YXWPOOMYKDWEFN-PRHORXKJSA-N	420.966	4.503	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)CC1	1832889688	RSYLUXKYNXXNHP-YUXAGFNASA-N	419.009	4.817	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1	195583541	RECKLXFYIDOWLP-HKWRFOASSA-N	412.493	4.831	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccc(F)cc1	207814054	BFTYQGXGJPRLSC-MOSHPQCFSA-N	423.451	4.678	50	20	HJGD	
COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3nc(C)cs3)cc2OC)cc1	212768123	WWYFQYWYWZBPRL-YVLHZVERSA-N	406.463	4.752	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)c1	727497771	MHBBYRYTRSSSMH-ACCUITESSA-N	421.522	4.567	50	20	HJGD	
COc1ccc2cc([C@H](C)C(=O)NNC(=O)c3c(Cl)cccc3Cl)ccc2c1	727793405	HTJTXWXSBDOSOM-LBPRGKRZSA-N	417.292	4.720	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)NCc1ccccc1Sc1ccccc1	730583753	KBQQDGZVKFWRRE-UHFFFAOYSA-N	406.511	4.682	50	20	HJGD	
CN1CCC[C@H](CN(C)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	735864752	VHATYQJTIDRASJ-WFASDCNBSA-N	409.905	4.711	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2nc(C(F)(F)F)cs2)c(C)n1CCC(C)C	740837964	WBOMXBFTSCAUSU-LZYBPNLTSA-N	424.492	4.850	50	20	HJGD	
CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)CCCC[C@H]1CCSS1	741702970	TZHYVLNOZACIBS-ZDUSSCGKSA-N	419.515	4.689	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(O)cc3)cs2)c1C	743464143	APISUOCQXDSJCF-WOJGMQOQSA-N	406.511	4.890	50	20	HJGD	
COc1cc(C(=O)NNc2c(C)cc(C)cc2C)cc(OC)c1OCc1ccccc1	743763175	ZOHQMWIASMWQIS-UHFFFAOYSA-N	420.509	4.965	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c(C)c1	743765246	JKKCVDXYYOFJFY-UHFFFAOYSA-N	406.383	4.712	50	20	HJGD	
CCOc1cc(C(=O)NNc2ccc(Cl)cc2Cl)cc(OCC)c1OCC	748019142	XPUAHIGJZXEJAC-UHFFFAOYSA-N	413.301	4.946	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1	748032918	GCJZKOFPUBZONK-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1ccc(C)cc1C)c1ccc(C(F)(F)F)cc1	748359695	HNDZSZZSYKLIID-ACCUITESSA-N	407.461	4.743	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cc1csc(-c2ccc(Cl)s2)n1	751165786	ZRMCAIMVJBMYMQ-UHFFFAOYSA-N	410.860	4.590	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1nnc2n1CCCCC2	752238292	QFBLOYHDGWVACO-LGMDPLHJSA-N	401.426	4.769	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	752936462	WSVAWXPQNPKMSE-OAHLLOKOSA-N	413.440	4.605	50	20	HJGD	
O=C(NN=c1cc[nH]cc1Cl)c1sc2cc(Br)ccc2c1Cl	757421592	HJEQLBLULHBMRO-UHFFFAOYSA-N	417.115	4.544	50	20	HJGD	
Cc1nc(CNC(=O)NNc2ccc(OC(F)F)cc2)oc1-c1ccc(Cl)cc1	761767347	HFIRYMUVJFVXCL-UHFFFAOYSA-N	422.819	4.731	50	20	HJGD	
CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)o1	762518943	XWOUAIFGANNSPQ-UHFFFAOYSA-N	405.366	4.734	50	20	HJGD	
COc1ccc2oc(C=NNC(=O)c3cc(-c4ccncc4)nc4ccccc34)cc2c1	763340752	ZWCYNOKGJMCSHU-UHFFFAOYSA-N	422.444	4.816	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)CCCC[C@H]3CCSS3)C2)C1	765342132	CUUHPNJMQIVAOG-JXFKEZNVSA-N	414.637	4.560	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cnn(Cc2ccccc2Cl)c1	767396916	UGBWQXVXYLFKHA-UHFFFAOYSA-N	413.667	4.788	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(Br)c(F)c1)c1ncc(-c2ccccc2)o1	771327311	IKGJKKSFGPDVES-LLVKDONJSA-N	419.254	4.631	50	20	HJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1Br	774116806	BFBJYVONROYZFL-XFFZJAGNSA-N	406.623	4.556	50	20	HJGD	
CC(=NNC(=O)c1cccc(NN=C(C)C2CCSCC2)c1)C1CCSCC1	777422239	WQAKPDWIGJLEAT-UHFFFAOYSA-N	418.632	4.867	50	20	HJGD	
CCCOc1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c(C)c1	782820668	FKHXUAZYEKSTEG-UHFFFAOYSA-N	403.482	4.592	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCO[C@@H](c2ccco2)C1	782985551	PBPJTNRSUQBAJO-CQSZACIVSA-N	419.393	4.699	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1cccc(F)c1	783462679	HJUTWKUBAWHQGZ-UHFFFAOYSA-N	405.341	4.602	50	20	HJGD	
COCCc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	786671286	XKCGOIAYZUVQNS-RCCKNPSSSA-N	417.484	4.968	50	20	HJGD	
COc1cc(NNC(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)ccc1Cl	788866993	NVKBEIBSJQWRML-CYBMUJFWSA-N	407.898	4.532	50	20	HJGD	
COC(=O)c1occc1COC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	791149323	DMZJTVVXJXCDFX-UNOMPAQXSA-N	410.470	4.640	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1-n1cncn1)C(=O)c1ccc(F)c(C(F)(F)F)c1	794946150	NRMWPLGHOTVCAS-WLRTZDKTSA-N	420.753	4.868	50	20	HJGD	
C[C@@H]1CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1	795072009	CFLSRQMWGGIRSN-QYACQQAJSA-N	417.387	4.940	50	20	HJGD	
CC(CCc1ccc(C(F)(F)F)cc1)=NNC(=O)c1cnn(-c2ccccc2)c1	800813044	QPNNESRPGTYMNS-UHFFFAOYSA-N	400.404	4.630	50	20	HJGD	
N#C/C(=C/c1cn2ccc(Br)cc2n1)C(=O)Nc1cccc2ccccc12	811685952	IMAHOZLAVKCXIN-GDNBJRDFSA-N	417.266	4.796	50	20	HJGD	
COc1ccc(NNC(=O)CCc2ncc(-c3ccccc3F)o2)c(C(F)(F)F)c1	816702473	OLPPOEBGPJJWPM-UHFFFAOYSA-N	423.366	4.584	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1	817925661	KYRRMPODORTMLW-UHFFFAOYSA-N	423.425	4.551	50	20	HJGD	
C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)NNc3ncccn3)c2C1	913044133	XYNMVJREMSKASA-DOMQTXCISA-N	421.504	4.905	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c(C)n1CC(C)C	913138139	WAPCXATZLBDTSA-MVQVQHCTSA-N	421.541	4.864	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)N1CCn2c1nc1ccccc12	915853565	MFGQADZQUZPWBL-SQFISAMPSA-N	414.852	4.903	50	20	HJGD	
O=C(NNC(=O)c1ccccc1F)N[C@H](CCCc1ccccc1)c1ccccc1	916219083	LJAKAMJRQPDVCP-JOCHJYFZSA-N	405.473	4.534	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(F)cc2nc(S)[nH]c12	919686394	KREFXSHTSRTKOL-UHFFFAOYSA-N	405.669	4.708	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc2ncccc12	1318332914	DRYZPHJVULHLNR-UHFFFAOYSA-N	420.812	4.820	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC2(CCN(C(=O)c3sccc3Cl)CC2)C1	1805262119	GQCWPBRMADJPNF-UHFFFAOYSA-N	417.402	4.511	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2)n[nH]1	1816959206	BBEWKXIDUXIJPJ-FJHQEINZSA-N	414.937	4.523	50	20	HJGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)CCCCCCCCc2ccccc2)C1	1847026956	KTHIMCPPRDJSIP-OAQYLSRUSA-N	422.972	4.698	50	20	HJGD	
COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1OCc1ccccc1	6430929	MTAUAVVVQKUUIL-HYARGMPZSA-N	419.502	4.921	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)n1	14513977	VJAWDCPWJMFBCA-UHFFFAOYSA-N	421.451	4.596	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cc2sc3ccccc3c2s1	24274925	UFDFVOJMQJPRKE-UHFFFAOYSA-N	405.504	4.601	50	20	HJGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	252638196	YACYOXCEOGCOLQ-UHFFFAOYSA-N	415.405	4.537	50	20	HJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(Br)c(OC)c(Br)c1	726429910	WMENXLANJJXVDJ-BVBCSLMJSA-N	401.098	4.742	50	20	HJGD	
Cc1cccc(COc2ccc([C@@H](C)NC(=O)NNC(=O)c3ccccc3C)cc2)c1	727840877	CNVMKZJUKOLIHW-LJQANCHMSA-N	417.509	4.588	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1	728235593	VGMYHKYNKGUSAM-UHFFFAOYSA-N	421.240	4.627	50	20	HJGD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)NNc3ccc(F)c(F)c3F)c12	728713837	JCUIGGXCGCSGRX-UHFFFAOYSA-N	416.359	4.610	50	20	HJGD	
CCCC[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)cc1	728753188	USDGCGIAMZNEEZ-GOSISDBHSA-N	424.328	4.878	50	20	HJGD	
Cc1cccc(OCC(=O)NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)c1	731149418	ZUTAKXCCOBBRLT-UHFFFAOYSA-N	424.932	4.796	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1	732716643	WYGMSBYDJPARAX-JCMHNJIXSA-N	419.488	4.563	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2C)C2CC2)c1C	732746060	ZTNRLAPLVMRCCQ-XHWRMISNSA-N	405.542	4.795	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CCCCC2)c1ccc(Cl)s1	734068995	LVUOGLSMWBCGAR-GFCCVEGCSA-N	411.980	4.827	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c1C	741974767	YQWLJRVPGNBOQC-PXAVOHDWSA-N	419.569	4.872	50	20	HJGD	
O=C(NCCc1cccc(Cl)c1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743511109	RAVWAFMSFIYHPE-UHFFFAOYSA-N	408.889	4.585	50	20	HJGD	
CC(C)(C)c1nc(CC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cs1	743825914	KOFOYLCGDOUQND-UHFFFAOYSA-N	408.527	4.503	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(C#N)cc2)cc1	748106382	NGPWLXRWBSKXLY-UHFFFAOYSA-N	407.477	4.730	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(Cl)ccc1Br	748184460	KCUDDMPMXDCLTC-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1cc(C(=O)NNc2ccccc2Br)nc(-c2ccc(Cl)cc2)n1	752142122	ITRNZVYXXDCVKY-UHFFFAOYSA-N	417.694	4.625	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(/C#N)C(=O)Nc2ccccc2)c1	759642772	KIAIWSNGRVXTTG-AQTBWJFISA-N	400.482	4.859	50	20	HJGD	
CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762637724	AOJQTSAEJBALFJ-UHFFFAOYSA-N	419.375	4.813	50	20	HJGD	
O=C(NCCCc1ccc(O)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762665900	LFEWEDHOIHPBCX-UHFFFAOYSA-N	424.391	4.737	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccccc1NCCC1=CCCCC1	765199889	NZSBVWOODXLECV-UHFFFAOYSA-N	405.424	4.555	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c(OCc2cccnc2)c1	766491854	SAAYOQAWGTXOCN-RGVLZGJSSA-N	401.422	4.950	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F	767713724	MAURTKCPZWTKGL-VGOFMYFVSA-N	412.364	4.601	50	20	HJGD	
C=CCNc1ncc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)s1	771025292	LFBDULQMIBFCJJ-UHFFFAOYSA-N	422.135	4.567	50	20	HJGD	
CC[C@H](C)n1ncc(NC(=O)NNc2ccc(Br)c(F)c2)c1C1CC1	771174654	AQYOGRUXWXSLGG-JTQLQIEISA-N	410.291	4.782	50	20	HJGD	
N#C/C(=C\c1cnc2ccc(Br)cn12)C(=O)c1ccc(Cl)cc1F	773161577	GQZIOPSMZGKDNU-BJMVGYQFSA-N	404.626	4.679	50	20	HJGD	
CC(C)OCCCCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773489644	VFOZVTJVMANAEM-UHFFFAOYSA-N	404.401	4.604	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)n1C1CCCCC1	773762188	VWPSGUJNJUXYKQ-YIRPMMGJSA-N	421.541	4.676	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ncc(Cl)cc3Cl)c2C(C)C)cc1	775266292	KYKGXWIQGJLJHO-UHFFFAOYSA-N	404.301	4.763	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cncc(Cl)c2Cl)c1C	778076764	ALKBAOMWBPIJAF-BYQGBLLGSA-N	407.301	4.560	50	20	HJGD	
COc1cc(-c2ccccc2)ccc1/C=C(/C#N)C(=O)Nc1ccc(NC(C)=O)cc1	781101484	TYHGWSDHQSYVDK-STZFKDTASA-N	411.461	4.866	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	782569186	TXMRBDSARBYMKP-KGLIPLIRSA-N	407.527	4.780	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1cccc(OCc2ccccn2)c1	785356536	XIKMBMFUYBVTTN-UOBPLZBXSA-N	401.441	4.584	50	20	HJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1OCC	787156370	YUHBVDYSQVUQAP-PNWWAVQQSA-N	408.498	4.667	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCCCc1nc2ccccc2s1	816486219	UFBARWXELZRPNN-UHFFFAOYSA-N	403.939	4.719	50	20	HJGD	
COc1cc(NNC(=O)C2(Cc3ccccc3Br)CC2)ccc1Cl	816524324	AHTABBRMJWHDDA-UHFFFAOYSA-N	409.711	4.577	50	20	HJGD	
CCc1nocc1CN(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C	818557667	KLVKTZUMLCXGTC-UDWIEESQSA-N	402.498	4.519	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1C	915628576	FGIYOUVFHUZKMI-MXDDHBLUSA-N	401.457	4.901	50	20	HJGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c(C)s1	916479547	AODXOSPOCBVHNT-ZDUSSCGKSA-N	405.589	4.791	50	20	HJGD	
O=C(NN=Cc1ccc(SC(F)(F)F)cc1)c1ccc(F)cc1Br	917549736	AYUGVEUQHCQLPD-UHFFFAOYSA-N	421.213	4.964	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3csc(COc4ccccc4)n3)cc2C1	918711200	GYKNBWOTQVASBD-CQSZACIVSA-N	411.552	4.672	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)NCc1ccco1	918736261	VHSNOGKOVIRXIE-JYRVWZFOSA-N	403.385	4.645	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)CSc2cccc3cccc(Cl)c23)nn1	1328715584	VKNFIOPQHFFNEY-UHFFFAOYSA-N	400.935	4.816	50	20	HJGD	
O=C(CCC1CCCC1)Nc1ccc(C2(NC(=O)CCBr)CCC2)cc1	1787617397	XOARNRKJUWHITP-UHFFFAOYSA-N	421.379	4.876	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(F)c3)cc2)CCC1	1787792758	QYQOJQLOBBYVCU-QGZVFWFLSA-N	420.887	4.659	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(C#N)c3)CCC2)cc1	1790490022	PVZJLRXMEKGBOB-FQEVSTJZSA-N	409.917	4.632	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(OC)c3)cc2)CCC1	1790603182	DNRPNNCHFHDENW-FQEVSTJZSA-N	414.933	4.769	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Br)cc3)CCC2)cc1	1791437891	QBWYTVODTVXXEZ-HNNXBMFYSA-N	415.331	4.526	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1	1828257328	GGULONJHQRZHIQ-PMACEKPBSA-N	416.949	4.684	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1	7158554	TYCDFCDITZZCDP-MDWZMJQESA-N	405.679	4.965	50	20	HJGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Br)s1	23042667	JGURAAHAMMPLAV-WYMLVPIESA-N	419.344	4.627	50	20	HJGD	
O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1ccc(Cl)cc1Cl	23712078	UFZPQBYNSUWBSM-UHFFFAOYSA-N	413.260	4.897	50	20	HJGD	
Cc1cc(C)cc(C[C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	303968161	RNGJLSYHVXFDRX-CSECHGTESA-N	419.569	4.555	50	20	HJGD	
O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)NNC(=O)c1c[nH]c2ccccc12	725866160	CNJMKQFOKVFRRA-UHFFFAOYSA-N	424.932	4.667	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(F)ccc2OCCOC)c1C	727321877	UHYKGAGKWBYHBJ-UYRXBGFRSA-N	413.493	4.615	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(-c3nc(C)cs3)c2)c1C	728474422	MTICUHWJZFYCRF-RGVLZGJSSA-N	421.522	4.696	50	20	HJGD	
Cn1nc(-c2ccccc2)c(C=NNC(=O)c2ccc(Cl)cc2Cl)c1Cl	734745254	JFURMYGNJHKEKN-UHFFFAOYSA-N	407.688	4.811	50	20	HJGD	
CCc1cc(NNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)nc(-c2ccccn2)n1	738531262	WKXKOGJCIXGGGD-UHFFFAOYSA-N	414.513	4.637	50	20	HJGD	
COc1cc(NC(=O)NNC(=S)Nc2cccc(C(C)C)c2)c(OC)cc1Cl	741854455	MEOOBPQZRHBRTJ-UHFFFAOYSA-N	422.938	4.504	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNc1c(F)cc(F)cc1Br	741978816	RKZSEHVXGAZIQR-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccccc3)ns2)c1C	744368280	YQURQIJOPAWWEM-YODDIOPGSA-N	420.538	4.982	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCc3ccccc3C2)cc1	746394202	LKGSQVREMUUGOF-UHFFFAOYSA-N	422.872	4.568	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1)c1ccccc1	746420177	DEQHIMRPRQUOKD-KXBFYZLASA-N	421.463	4.723	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1csc(-c2ccc(Cl)s2)n1	748659486	NYHNBZGOEKQNIX-UHFFFAOYSA-N	401.847	4.883	50	20	HJGD	
COc1ccc2cc(/C=C\C(=O)NNc3ccc(OCC(F)(F)F)cc3)ccc2c1	748702428	UYTVRUZWPLWICS-JYOAFUTRSA-N	416.399	4.946	50	20	HJGD	
C[C@@H]1CCC[C@H](CC(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)C1	749931000	LNOCUYVLUSCPNB-MNOVXSKESA-N	407.889	4.893	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C[C@H]3CC=CCC3)s2)cc1	764759512	DIJPNXDXAYZUGO-HNNXBMFYSA-N	418.613	4.689	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cncc(Br)c2)c(C)n1CC(F)(F)F	767351819	LKBOQPFMEZITCA-PQMHYQBVSA-N	412.209	4.615	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1cccc(OCc2cccnc2)c1	769961524	KKDBONNCJMOPEB-UHFFFAOYSA-N	418.375	4.708	50	20	HJGD	
Cc1cccc(C(C)C)c1NC(=O)COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	769976274	MANGVJQRTYQXOO-DKICVRJWSA-N	408.336	4.554	50	20	HJGD	
CC(C)n1cnnc1-c1ccccc1NC(=O)NNc1ccccc1C(F)(F)F	770062425	RCNIOECZKFZXFF-UHFFFAOYSA-N	404.396	4.693	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(F)cc(Cl)cc2F)c1C	775498685	ANNFTQYOPUHEKJ-BYQGBLLGSA-N	407.848	4.790	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(c3ccsc3)CC2)c(C)n1C[C@@H]1CCCO1	777085431	GKSFHJJZVKZSAD-UWYGHVLSSA-N	423.582	4.659	50	20	HJGD	
C[C@@]1(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO[C@@H]1C1CC1	778062493	UDGNJZRPYWRLSQ-ZIAGYGMSSA-N	407.426	4.580	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cccc(-c4nc(C)cs4)c3)c(C)cc2c1	778477159	WKUQCALIHQJSBB-UHFFFAOYSA-N	404.495	4.741	50	20	HJGD	
COc1ccc2nc(NNC(=O)Cc3sc(C)nc3-c3cccs3)c(C)cc2c1	778479607	PXXDQUULHDMMDW-UHFFFAOYSA-N	424.551	4.731	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1	787145220	PCQMXPNUOCDGKZ-FVECTHPASA-N	418.478	4.893	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1	793028209	IVXCREAWADZAGH-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
COc1cc(NNC(=O)Nc2cc(F)c(F)cc2N2CCCCC2)ccc1Cl	810310554	BFEZWLTZDKAZRA-UHFFFAOYSA-N	410.852	4.766	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2-c2nc[nH]n2)c(C)n1C1CCCCC1	813497806	MHHYSKLYGPFZNN-CPNJWEJPSA-N	414.513	4.941	50	20	HJGD	
Cc1nc(C(C)C)ccc1COC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	815179521	VKFOFAGHNUWXEI-HIFDDZRDSA-N	421.541	4.761	50	20	HJGD	
CC[C@@H](C)n1nc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C	817015249	TYSZJNGWFRYNBG-SECBINFHSA-N	408.346	4.957	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC=C(c3ccc(O)cc3)CC2)c(C)n1CC(C)C	843592495	YNKDXKUIAKYTPJ-UCQKPKSFSA-N	403.526	4.689	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)C3CC3)c2)c(C)n1CC(C)C	912921920	WPOPJRGNUGGDGZ-JAIQZWGSSA-N	404.514	4.655	50	20	HJGD	
Cc1cc(C)c(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c(C)c1	914482276	PEQQWXPQIWGTSR-HYARGMPZSA-N	423.520	4.612	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc1Br	915863587	BGPQMUHWQFRTMN-GHXNOFRVSA-N	420.332	4.757	50	20	HJGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2ccc(F)cc2)s1	916145490	UZVSDFMEGKJJQQ-QWHCGFSZSA-N	414.424	4.684	50	20	HJGD	
O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)NNc1ccc(F)cc1	916233140	QWXWMMAXTPWHPW-UHFFFAOYSA-N	415.472	4.564	50	20	HJGD	
CCc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)CC(F)(F)F)cc1	917550376	DRPBXSXMFHOCNP-UHFFFAOYSA-N	414.431	4.563	50	20	HJGD	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc2OC)cc1	918733061	GTTUSXYLFDJUKJ-LDADJPATSA-N	407.466	4.835	50	20	HJGD	
O=C(Cc1csc(-c2cccc(Br)c2)n1)NNc1ccc(F)cc1F	919205964	AYMBNQZRNOATQM-UHFFFAOYSA-N	424.270	4.537	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(-c2ccc(OC(F)F)cc2)s1	1116008580	XQUVOLOFFRBZMA-UHFFFAOYSA-N	422.840	4.745	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(CCCc3ccccc3)o2)c1C	1117231772	WHTAVMYMHFFMDL-QWQBBLJPSA-N	404.514	4.935	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(N)c4ccccc4n3)o2)cc1	1317812465	DBVGSYWNLRMYBI-LGMDPLHJSA-N	410.433	4.713	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2F)CC1	1823902299	LBSDYDOMWPSBQP-UXHICEINSA-N	422.972	4.775	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N(C)c2ccccc2)c(C)n1C1CCCCC1	6389185	OPKJUQGHIDTVNO-RCCKNPSSSA-N	419.525	4.723	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC(F)F)c2)cc1Cl	7164894	GQKPMDGOLVWDCB-KPKJPENVSA-N	408.788	4.504	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cc(F)c(Cl)cc1Cl	12689708	CMSDKLBZJUEAFA-UHFFFAOYSA-N	424.284	4.639	50	20	HJGD	
COc1ccc2cc([C@H](C)C(=O)NNC(=O)c3ccc(Cl)cc3Cl)ccc2c1	24459614	UWUYJHTXBPXRGE-LBPRGKRZSA-N	417.292	4.720	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)s2)cc1	212022811	NGHLWDNMHXVKKV-JXAWBTAJSA-N	401.491	4.663	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)c1C	727335500	VYCPVRVKRBRELR-BOPFTXTBSA-N	412.465	4.768	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1C	727717962	FPTONCQWWYODKI-CBXNMNPBSA-N	409.534	4.586	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1	731997761	XGCVVDJAUNLINO-IBGZPJMESA-N	415.518	4.664	50	20	HJGD	
N#CC(C#N)=CNCc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1	732046854	NJJQZBLGPSEYSZ-UHFFFAOYSA-N	402.281	4.862	50	20	HJGD	
COc1ccc(OC(F)F)c(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1	732924085	QPIMUCARBGUOEX-UHFFFAOYSA-N	420.412	4.928	50	20	HJGD	
Cc1ccc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)cc1Oc1ccncc1	734435908	NLDVIXIJDHJDIV-UHFFFAOYSA-N	421.844	4.643	50	20	HJGD	
Cc1cc(C)c2c(-n3cccc3)c(C(=O)NNc3cc(F)c(F)cc3F)sc2n1	734552241	LTBYTEXEACICOT-UHFFFAOYSA-N	416.428	4.878	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC2(C)COC2)c(C)n1-c1cccc(Cl)c1Cl	741819873	NWKJFOVPXCPWQH-LZYBPNLTSA-N	419.308	4.888	50	20	HJGD	
CNC(=O)c1cccc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	741896477	IKJNJPHZSQAUCF-MRXNPFEDSA-N	402.825	4.518	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccc(COc2cccc(F)c2)c1	748661212	KPRZZLVLZDWXJL-UHFFFAOYSA-N	402.372	4.763	50	20	HJGD	
CN(C(=O)c1cccs1)c1ccccc1C(=O)NNc1ccc(Cl)c(F)c1	748876282	DWGOGYFOBAFQRZ-UHFFFAOYSA-N	403.866	4.574	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1c(-c2c(F)cccc2Cl)noc1C	751174005	JVICLGHKQTZMBV-UHFFFAOYSA-N	406.753	4.579	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(C)cc1Br	753176075	GTUDZBJKJGHGIC-UHFFFAOYSA-N	412.125	4.839	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)Nc1ccccc1SC(F)F	755469948	KCIOQHWKZMHOMS-UHFFFAOYSA-N	401.438	4.550	50	20	HJGD	
Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)NNC(=O)CC(F)(F)F)cc2)c1	756685672	OHBNBGTXOLWBDS-UHFFFAOYSA-N	423.435	4.803	50	20	HJGD	
Cc1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1NC(=O)c1ccncc1	763609410	RLIXPAJFNINSAY-UHFFFAOYSA-N	415.280	4.706	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)C(=O)NNc2c(F)cccc2Cl)c1C	770811772	WDAIJGPMQCGULS-UHFFFAOYSA-N	421.900	4.575	50	20	HJGD	
Cn1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(-c2ccccc2)n1	771520346	KBBJGKXZLQXRBN-CXUHLZMHSA-N	418.305	4.732	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)c(SC)cc1OC	776258938	BDPRSZJWBFAYEX-RIYZIHGNSA-N	405.422	4.817	50	20	HJGD	
COc1ccc(C2(C(=O)NNc3ccc(OC(F)(F)F)cc3)CCCC2)cc1OC	777418239	HMVJIOXKGSVSLG-UHFFFAOYSA-N	424.419	4.558	50	20	HJGD	
O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(S(F)(F)(F)(F)F)c1	778018307	RHUZVESZGGLEMU-MJBXVCDLSA-N	419.437	4.580	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)NCc2ccc(COC3CCOCC3)cc2)cc1	780845070	OUXBFWKYQSMPEX-UHFFFAOYSA-N	411.546	4.506	50	20	HJGD	
O=S(=O)(NCCOc1ccccc1)c1ccc(S(F)(F)(F)(F)F)cc1	782978733	DFEJUHLPZPXWQY-UHFFFAOYSA-N	403.394	4.701	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cn(-c4ccc(Cl)c(Cl)c4)nn3)n2)cc1	783701007	GWWCZWOIZPLKSI-RIYZIHGNSA-N	423.263	4.997	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNc2ccccc2)c(C(F)(F)F)c1	784767185	HNNGWQIYDKOJHC-LBPRGKRZSA-N	411.449	4.678	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2sccc2Cl)c(C)n1C[C@H]1CCCO1	785908209	MADVHCNLFPNYSV-JDZKTDJGSA-N	404.919	4.649	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccc(Br)c(F)c1	795271372	MXWKDFFBCKRZTB-UHFFFAOYSA-N	424.657	4.962	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2csc(-c3ccc(Cl)cc3)n2)cc1	797306697	ATHDIOSUZXGIAZ-MHWRWJLKSA-N	409.898	4.695	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(N(C)c3ccccc3)nc2)cc1	797787680	ZBKMDRKQLAXSBK-AFDUHFSSSA-N	412.493	4.642	50	20	HJGD	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	809302533	BATITGYSNSDEEK-DXFXCAIPSA-N	423.557	4.838	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H]1c2ccccc2CC12CCOCC2	812561478	OVSKOBPYLRLMBL-GOSISDBHSA-N	423.410	4.565	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=C3CC[C@H](C(=O)O)[C@H](C)C3)c3ccccc3n2)cc1	814713792	IVCMSPHXNALDPP-APWZRJJASA-N	415.493	4.817	50	20	HJGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1sc(-c2ccc(F)cc2)nc1C	814780172	HDEMAVBIRYHQNW-UHFFFAOYSA-N	421.295	4.502	50	20	HJGD	
O=C(CSc1ccccc1O)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	814968512	GWWNFVGMUQSHES-UHFFFAOYSA-N	401.491	4.783	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2CC)c1C	855898510	OZPSBEQXZLPVJS-MLPWYGTASA-N	421.541	4.945	50	20	HJGD	
N#C/C(=C/c1cc(Br)ccc1OC(F)F)C(=O)c1ccc2c(c1)OCO2	915990041	ONESDUQIHZATNP-XGICHPGQSA-N	422.181	4.569	50	20	HJGD	
O=C(NN=Cc1ccc(F)cc1F)c1ccc(CSc2nc3ccccc3[nH]2)cc1	916287543	MYZRSQIEXKXNDA-UHFFFAOYSA-N	422.460	4.897	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(Nc3ccccc3Cl)CC2)cc1	1115959343	AZPYOLARXGBPND-OBGWFSINSA-N	409.917	4.749	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3cc(C)nc4ccccc34)o2)c1C	1341365127	DKPGJWQNIRBWNL-UYRXBGFRSA-N	413.481	4.722	50	20	HJGD	
C[Si](C)(C)OCC(=O)Nc1ccc(C2(NC(=O)C3(F)CCCCC3)CCC2)cc1	1789648179	WXGSVNWGLPLRMW-UHFFFAOYSA-N	420.601	4.644	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3F)cc2)CCC1	1790639214	TVXLUUGURFOHJQ-SFHVURJKSA-N	418.896	4.599	50	20	HJGD	
CC(C)C1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)CCC1	1832489444	UPTJFXVMGCEULG-LJQANCHMSA-N	411.030	4.697	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3nc(C)sc3c2)c1C	10415067	VJCSZUZFNSYQLX-RMNBPEERSA-N	408.527	4.776	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)Nc1ccc(C#N)c(Cl)c1	16860227	KGNSRDOVWZVIGN-DOMZBBRYSA-N	412.964	4.796	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	98008773	REQCWFAEHKUGNW-ZSOIEALJSA-N	412.371	4.650	50	20	HJGD	
Cc1sc2ncnc(SCC(=O)/C(C#N)=C3\Nc4ccccc4S3)c2c1C	211254060	MLPPPJDHGBUCAS-SFQUDFHCSA-N	410.549	4.922	50	20	HJGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	252588693	ADSYGQBZPZAEJS-UHFFFAOYSA-N	415.405	4.537	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cnn(CC(F)F)c2)c(C)n1C1CCCCC1	261408951	CCQKMABFKQSOER-MFOYZWKCSA-N	401.461	4.617	50	20	HJGD	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NNC(=O)c1c(Cl)cccc1Cl	727842245	SZXCFDVRITXNST-AWEZNQCLSA-N	410.301	4.553	50	20	HJGD	
CC1(C)Cc2cc(/C=C(\C#N)C(=O)Nc3nc4ccccc4nc3Cl)ccc2O1	729149431	HLGHQVNQWLBYEY-XNTDXEJSSA-N	404.857	4.542	50	20	HJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2nc(-c3ccccc3)no2)cs1	732113203	OTYFDLAVEYQFGU-UHFFFAOYSA-N	423.523	4.551	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1)c1ccccc1	732245079	OUKLDWRMTQTFKZ-GOSISDBHSA-N	421.463	4.507	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1ncc(-c2ccc(Br)cc2)[nH]1)C1CCCCC1	732716793	ZSHSKGSDKXBGKO-PTNGSMBKSA-N	413.319	4.537	50	20	HJGD	
O=C(NCCOc1cccnc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	734060032	MHRRKTXSBRDNSU-AWEZNQCLSA-N	405.829	4.501	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1ccccc1Nc1ccc(SC(F)F)cc1	734261174	ZVQHJIKTHQRDGJ-UHFFFAOYSA-N	421.860	4.945	50	20	HJGD	
N#Cc1cccc(NNC(=O)NCCCCSc2ccccc2Br)c1	734683129	FSANPWSAXOVEIO-UHFFFAOYSA-N	419.348	4.519	50	20	HJGD	
Cc1ncc2c(n1)CCC[C@@H]2NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	734793795	QYGNVMQDNDZXKK-RPISRQAYSA-N	417.557	4.809	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCOC[C@H]2c2ccco2)c(C)n1C1CCCCC1	735026128	YIYVOJJMRADXBB-PZHBDVNGSA-N	407.514	4.710	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCCCC[C@H]2c2ccco2)c1C	736526921	UHFDRCDLOARRRS-FUZGZPPTSA-N	409.530	4.956	50	20	HJGD	
O=C(CCC(=O)c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1Br	739314548	NOHCSVRXXONPIS-UHFFFAOYSA-N	412.623	4.579	50	20	HJGD	
O=C(NN=Cc1nccc2ccccc12)c1cn(-c2ccccc2)nc1-c1ccccc1	740760422	SYHHNHFPDXZGHD-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c3cccnc3)c2C)cc1	743723424	UIUAFXGUNSIWFZ-SDLXJUDFSA-N	414.509	4.624	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1C	743822141	GANIGGJPHXOLMN-SJORKVTESA-N	408.354	4.732	50	20	HJGD	
Cn1c(C(=O)NNc2cccc3cnccc23)ccc1-c1ccc(Br)cc1	748769595	IBBBPQNWKSXJPN-UHFFFAOYSA-N	421.298	4.760	50	20	HJGD	
Nc1nc(Cl)cc(NNC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)n1	753457979	UHOOSNQTSWNQGP-UHFFFAOYSA-N	424.675	4.568	50	20	HJGD	
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H](C)S1	762664578	KVFZYLIRIMQRRJ-NXEZZACHSA-N	404.426	4.635	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Br)cc1	767085022	XRFOFCAXRVMOCT-SNVBAGLBSA-N	412.209	4.586	50	20	HJGD	
COC(=O)c1ccccc1-c1ccccc1C(=O)NNc1nc2ccccc2cc1C	768180564	NGMGAHUDHXFONA-UHFFFAOYSA-N	411.461	4.754	50	20	HJGD	
O=C(NN=C1CCCOCC1)c1ccc(CSc2nc3ccccc3s2)cc1	770595845	SXNAEFHPKICCMC-UHFFFAOYSA-N	411.552	4.875	50	20	HJGD	
Cc1nc(NCC(=O)NNc2c(C)cccc2F)c2cc(-c3ccccc3)sc2n1	771699035	RFTGBTMUAOORKC-UHFFFAOYSA-N	421.501	4.669	50	20	HJGD	
COC[C@H](C)C(C)=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	777879506	QMPQCGWUKJGWRH-AWEZNQCLSA-N	413.568	4.977	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3sc(-c4cccs4)nc3C)c(C)cc2c1	778478951	KZVSXBGMOAWDJG-UHFFFAOYSA-N	410.524	4.802	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1[nH]c2ccccc2c1Br	779200639	LAJNUFPCCGRBRN-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
O=C(NNc1ncncc1Cl)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1	781829953	NVZDCKGFWOUFGX-MRXNPFEDSA-N	423.687	4.700	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cccc(C(=O)O)c2Cl)c(C)n1CC(F)(F)F	787168838	KHKZVSPZIDAFTL-NTUHNPAUSA-N	410.779	4.809	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1c[nH]cc1-c1ccccc1F	787465015	UGAWNXUDRRXAEP-UHFFFAOYSA-N	408.658	4.994	50	20	HJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccncc2)cc1	788349254	HGHHFCWZEWCVBU-IGCAKMCNSA-N	424.508	4.918	50	20	HJGD	
N#C/C(=C\c1cc(Br)c(Cl)s1)C(=O)NCc1ccc(F)cc1F	790101246	XHTAYQRAQYJKBA-YCRREMRBSA-N	417.662	4.666	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccc(C)cc2C)c1C	790288017	QSODKPDFTNQGQH-CFKHXJFWSA-N	407.558	4.585	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1COCCN1C1CCCC1	793820653	VXKSJMNRQWQVBF-OAHLLOKOSA-N	400.413	4.926	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2C)c1C	801071117	XAMZBOQYVNSUOC-BWCLHNGZSA-N	407.514	4.691	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)cc1	801571076	ZCGDIRODMASHQC-RVDMUPIBSA-N	417.387	4.522	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cnc2ccccc12	804211512	SUHYVOYYDNKNCB-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccc(F)cc1OCCC(F)(F)F	806522216	AVDTVGVKPUTYLE-UHFFFAOYSA-N	416.331	4.522	50	20	HJGD	
CC(C)n1ncc2cc(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Cl)nc21	913617435	ADWNNHBWNYUTTB-PXNMLYILSA-N	421.309	4.657	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2sc(Nc3ccc(C)cc3)nc2Cl)cc1	915922090	XINIZGYAGLILQF-UHFFFAOYSA-N	413.934	4.719	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cc(C)cc(C)c3)nn2-c2ccccc2)cc1	916979168	WZIGUHIWZWFYFQ-UHFFFAOYSA-N	412.493	4.922	50	20	HJGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	917142521	GMRJJFFAQSGOKO-VZUCSPMQSA-N	416.871	4.979	50	20	HJGD	
C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	918271362	XHHLLJXZBAJQRS-GLKRBJQHSA-N	408.873	4.539	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ccc(C(C)(C)C)nn3)cc2)cc1	1335990247	WCSMWQVGKPUWOV-UHFFFAOYSA-N	404.470	4.526	50	20	HJGD	
Cc1c(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cccc1C(N)=O	1337367055	CHYZZIGCCDAFDR-UYRXBGFRSA-N	404.514	4.563	50	20	HJGD	
COc1cccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)c1	1786012867	ZXRHNDHBDGCGNR-UHFFFAOYSA-N	414.933	4.708	50	20	HJGD	
O=C(/C=C/c1ccc(F)cc1F)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1786588865	HWPDBKPVUQZAJT-JFKHNGDKSA-N	422.834	4.647	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccoc3)cc2)CCC1	1786748914	BGRUQTHSFCVOKT-KRNDSPITSA-N	421.324	4.663	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2C)n[nH]1	1814607088	SDTRPVHYKBBUIO-CRAIPNDOSA-N	420.916	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)cccc2F)[nH]n1	1815324086	JDHPSJSSONSLIU-RHSMWYFYSA-N	420.916	4.571	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2C)ccc1OC(=O)c1ccc(F)cc1	8238049	LPLGHSNNXASFSZ-GZTJUZNOSA-N	405.381	4.745	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3ccc(C)nc23)c1C	727330287	CCNJWFVSFDAECW-KKJJZKEWSA-N	402.498	4.715	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(F)c(Br)c1	731119542	BAGNHPABZRBTCT-SECBINFHSA-N	418.213	4.577	50	20	HJGD	
Cn1c(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc2ccccc21	731477695	MULRNZYGRSHYRF-UHFFFAOYSA-N	412.209	4.717	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccccc1	731931691	NTQTVRLMQMTPPI-NRFANRHFSA-N	420.538	4.780	50	20	HJGD	
CC(C)(C(=O)NNC(=O)N(Cc1cccs1)Cc1cccs1)c1ccccc1	733347574	CUSBRVXSELBLLC-UHFFFAOYSA-N	413.568	4.530	50	20	HJGD	
CC[C@@H]1c2ccccc2CCN1C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	733942984	OGZHARACWBJEIN-RWBTYFOCSA-N	417.553	4.727	50	20	HJGD	
Cc1nn(Cc2ccccc2)c2sc(C(=O)NNc3nccc4sccc34)cc12	734248181	GVZVKRBIMLYMKK-UHFFFAOYSA-N	419.535	4.821	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C)C(C)(C)c1ccccc1	741578737	IYZGNDJAEQLPHL-ODFZLOHPSA-N	407.558	4.531	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C)c1ccncc1	741586193	QRHOLJIDLLAAAJ-PZHBDVNGSA-N	402.473	4.803	50	20	HJGD	
CC(C)(NC(=O)Nc1ccccc1)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	742240858	UYIZDJMPLUJRIO-UHFFFAOYSA-N	415.708	4.690	50	20	HJGD	
CCCN(C)C[C@H]1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)C1	742880597	LLHHIDRHPRDXDV-FYYJVHHASA-N	410.606	4.707	50	20	HJGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	743084195	JNHPJDXRHTWLOD-HZMBPMFUSA-N	412.861	4.615	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H]1CCSc2ccc(Cl)cc21	743627539	FLIVDFQKRDRABS-SFHVURJKSA-N	411.914	4.674	50	20	HJGD	
Cc1ccccc1-c1nc(C(=O)NNc2ccc(F)cc2Br)cs1	748076530	HONAUFGMMDGSIG-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1	748362915	ZXHBEYWQWSOEDU-UHFFFAOYSA-N	415.419	4.537	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(SC(F)(F)F)cc1	748703857	VFAXHXWRAVWCHC-UHFFFAOYSA-N	410.339	4.997	50	20	HJGD	
O=C(NNC(=S)Nc1ccccc1-c1ccccc1)c1cc(-c2ccccc2)on1	750982643	AGQWUUMBOWXOMN-UHFFFAOYSA-N	414.490	4.640	50	20	HJGD	
O=C(Nc1cccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c1)c1ccoc1	751279664	NNRORTMDWIIJMZ-UHFFFAOYSA-N	418.902	4.504	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCO[C@H]([C@@H]2CCCO2)C1	752979161	SAKKLYILHVUUIL-KBPBESRZSA-N	402.385	4.756	50	20	HJGD	
CC(=O)NCC1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752983760	ZNJVOHUDRUJRPC-UHFFFAOYSA-N	401.401	4.724	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cccc(C)c1Br	753172006	AWOKSYGKZFSKPI-UHFFFAOYSA-N	412.125	4.839	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNc1cc(C(F)(F)F)ccc1F	754154257	VOXYGCMPDMUKFE-UHFFFAOYSA-N	410.346	4.543	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1	754154364	ZLCJTMHTCCROGG-UHFFFAOYSA-N	413.371	4.948	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1ccccc1C(F)(F)F	758391785	MBBLRNVHSNVSJZ-UHFFFAOYSA-N	402.420	4.946	50	20	HJGD	
CC(=O)N(C)C1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762978400	NZTBXILHGBVLKO-UHFFFAOYSA-N	401.401	4.819	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@@H]1CCO[C@H](c2ccccc2)C1	765917769	ZLUSTEZYRQOGCV-RISCZKNCSA-N	415.708	4.588	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc(Cl)cc(Br)c1F	768093826	OZDCITIHXYRNBY-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H]1c1ccccc1Br	768252926	OJFXGRRTEILVGX-KBPBESRZSA-N	403.158	4.922	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1	770031448	UTUMXYZCIDKRMT-UHFFFAOYSA-N	416.268	4.789	50	20	HJGD	
Cc1ccc2nc(COc3cccc(C(=O)NNc4c(F)cccc4Cl)c3)cn2c1	770190273	FHZWQQGDGUWVKI-UHFFFAOYSA-N	424.863	4.771	50	20	HJGD	
C=Cn1cc(C=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cn1	772999619	SEJFSDFASDRYTE-UHFFFAOYSA-N	419.535	4.650	50	20	HJGD	
NC(=O)Nc1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777600689	LHWLIMPNOKRFQQ-UHFFFAOYSA-N	417.381	4.635	50	20	HJGD	
CSc1ccccc1COC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	781221703	WLPRTCYGFAFCAL-GUBQRQEFSA-N	410.539	4.656	50	20	HJGD	
Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	781659010	HKHFMAGCXRFFHZ-UHFFFAOYSA-N	407.338	4.744	50	20	HJGD	
Cn1ncc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1C(F)(F)F	782098246	DSXWGMAWRQXPIE-UHFFFAOYSA-N	402.591	4.548	50	20	HJGD	
COc1ccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c(F)c1	782981301	CKJRKXRBNCYPKK-UHFFFAOYSA-N	421.384	4.970	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNc2nc3ccccc3cc2C)c(C)c1	785158712	QOOAMIDEPIASLO-INIZCTEOSA-N	422.554	4.824	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1	786043918	BSCXOZYNLMGPRW-LPYMAVHISA-N	405.523	4.514	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1sc(-c2ccco2)nc1-c1ccccc1	788146865	GESMJVSQBLUWQE-UHFFFAOYSA-N	424.413	4.874	50	20	HJGD	
CC(C)n1nc(-c2ccco2)cc1NC(=O)NNc1ccc(Br)c(F)c1	788834556	LJJDXDYLIMOPCI-UHFFFAOYSA-N	422.258	4.774	50	20	HJGD	
COc1cc(NNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)ccc1Cl	790177688	JQNSHAVLETYEBN-HXUWFJFHSA-N	422.868	4.560	50	20	HJGD	
CCCCn1ccnc1-c1cccc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])c1	790511253	BUFMHRLDRWYVQK-UHFFFAOYSA-N	412.425	4.546	50	20	HJGD	
CO[C@@H](C)c1nsc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)n1	800990265	MHINACUFNKFOOW-GYXHFJGISA-N	421.526	4.507	50	20	HJGD	
COc1cc(C)ccc1Oc1ccc(NC(=O)NNc2cccc(F)n2)cc1F	806230747	VXZRNXBKXOPFIR-UHFFFAOYSA-N	400.385	4.618	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1nc(Br)sc1C1CC1	807152492	ZVMCSWCPJKEDKX-UHFFFAOYSA-N	424.217	4.698	50	20	HJGD	
O=C(NN=Cc1cccnc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1	814726836	DVEACKPWAOMRSA-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](c2ccco2)N2CCCC2)c(C)n1CCC(C)C	864335393	NZTNOFZILOVLQS-UAPYWLNTSA-N	422.573	4.604	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C1CCCCC1	865442036	CBYZHYFMDDHOQP-NDENLUEZSA-N	405.498	4.562	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(/C#N)C(=O)Nc1ccc(F)c(Cl)c1	915848672	LDWLRPQMACMXJJ-YVLHZVERSA-N	408.864	4.886	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)on3)cc2)CCC1	1787546792	XPHLOKYBGLUGTF-MRXNPFEDSA-N	403.910	4.563	50	20	HJGD	
Cc1cc(Cl)ccc1C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788580330	NESQMDUZFBBHKO-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)cc3)cc2)CCC1	1790303299	MZLUYLXOYSRQRA-LJQANCHMSA-N	400.906	4.547	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)[C@H](Cl)COC)cc3)CCC2)CC1	1791573061	XERRZAUABFVIEG-MBOZVWFJSA-N	420.981	4.591	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1C[C@H]1CCCO1	7970987	ALZUKMSRDKBASV-FVECTHPASA-N	417.431	4.848	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc(Cl)c1OC	16440007	IQZIQYFYNMPFCP-NTUHNPAUSA-N	421.280	4.955	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=S)Nc1ccccc1Oc1ccccc1	727704230	COKMGQNURNZPHR-UHFFFAOYSA-N	405.523	4.819	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cn1)c1ccccc1	728716326	LSMAXUXPAVVDIC-CQSZACIVSA-N	401.388	4.997	50	20	HJGD	
C[C@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)C(C#N)=C1Nc2ccccc2N1	729051751	XALUGDCJHVYSAK-NSHDSACASA-N	419.535	4.502	50	20	HJGD	
CCc1oc2ccccc2c1C=NNC(=O)[C@@H](C)Oc1cccc(Br)c1	730551656	QKZJOZMVVCPOAM-CYBMUJFWSA-N	415.287	4.675	50	20	HJGD	
O=C(NNc1ncccc1Cl)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	734247612	SLQRJZRGXBVGCL-KRWDZBQOSA-N	405.857	4.990	50	20	HJGD	
O=C(Cc1ccc(C(F)(F)F)cc1)Oc1ccc([N+](=O)[O-])cc1Br	739313393	DAZXNVZTIXIKQW-UHFFFAOYSA-N	404.138	4.524	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2cc3cc(F)ccc3o2)cc1	741851766	GMLALAJZWJBBBX-ATVHPVEESA-N	400.413	4.920	50	20	HJGD	
Cc1cc(NNC(=O)c2cn(-c3ccc(Cl)cc3)nc2C)ccc1Br	743415926	GCUBTLOGYLFNKS-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NNc1ccc(C(F)(F)F)cc1	747600754	VYNVISQWCBKXCT-UHFFFAOYSA-N	416.359	4.578	50	20	HJGD	
C[C@@H](C(=O)NNc1cccc(Br)c1)c1ccc(Br)s1	748020527	JETRTCCVIXKRET-MRVPVSSYSA-N	404.127	4.520	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc(Cl)cc(Br)c1	748029986	GELOGCVPPSDDFW-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
COC(=O)c1cc2c(/C=C(\C#N)c3nc(-c4ccc(C)cc4)no3)ccc(OC)c2o1	749011292	SOVFRCDMYXZPNN-MHWRWJLKSA-N	415.405	4.651	50	20	HJGD	
Cc1ccccc1C(C)(C)CNC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	750774405	HJRJIQLYQYOWFL-CLMUKVTESA-N	419.569	4.593	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccn3)ccc2Cl)c(C)c1	754876905	REOAIHGZPUSOOE-UHFFFAOYSA-N	410.930	4.650	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2cccc3ccccc23)cc1NC(=O)C(C)(C)C	756539556	QKWFNSXQTGEOQR-UHFFFAOYSA-N	418.497	4.599	50	20	HJGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	758415975	BECFGOMWHPFDLW-VUQQOUJSSA-N	415.474	4.686	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1cc(Cl)ccc1Oc1cccc(Cl)c1	759246187	GENGSJIQWVAEKT-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
Cn1cccc1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762636649	KNXRVDYGRNGYPX-HNNXBMFYSA-N	423.407	4.985	50	20	HJGD	
CC[C@H](C)n1ncc2c(C(=O)NNc3c(Cl)cc(F)cc3Cl)cc(C)nc21	767406053	ZHMVMGKARRMUPX-JTQLQIEISA-N	410.280	4.914	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3cscc3Cl)cc2)n1	771871830	KFNOLBUKIWMYCF-UHFFFAOYSA-N	416.959	4.865	50	20	HJGD	
CC(C)c1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cn1	772457547	LVRUICMHDYYUEP-UHFFFAOYSA-N	402.214	4.743	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(/C#N)c2cc(SC)ncn2)c1	773177027	SYEZUUZDPLLGKT-SXGWCWSVSA-N	405.527	4.890	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1	777476471	HLAKQFCGHHGBQJ-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cc(Cl)ccn3)c3c(C)noc3n2)c(C)s1	778447196	XPDOEIOFJFHWGN-UHFFFAOYSA-N	413.890	4.682	50	20	HJGD	
Cn1ncc(Cl)c1C=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	780188109	JWDDYHVJGNTCMM-UHFFFAOYSA-N	424.291	4.706	50	20	HJGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1	781790455	ZMIUGDQBOANWTI-KHPPLWFESA-N	406.895	4.664	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNc2nc3ccccc3s2)c(C)c1	782816501	XDGXRKSBZTZVDY-CYBMUJFWSA-N	414.556	4.577	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)CCCC[C@H]2CCSS2)C1	783844155	HRDRYKQVVHEPJB-XHSDSOJGSA-N	402.626	4.653	50	20	HJGD	
COC[C@@H](OC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C)c1nccs1	785548330	YOFSLMRLAVTGLK-VOMPUTFMSA-N	413.543	4.905	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1nnc(-c2cc3ccccc3o2)s1	787463777	LYEBKXXBVUUMME-UHFFFAOYSA-N	405.361	4.517	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2N2CCCCC2)c1C	789971141	RQQMUNLOPLHVFM-OMNSNBSWSA-N	420.557	4.848	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccnc1OCc1ccccc1F	790255486	NMIPWXYSGLCPMJ-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)[C@@H]2CCCOC2)cc1	794883349	KSDIYCKCQSMESL-QPHMKDBKSA-N	411.505	4.810	50	20	HJGD	
CCOc1ccc(NNC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)cc1	817905059	YRQYNBUVAAVWOO-UHFFFAOYSA-N	412.921	4.535	50	20	HJGD	
CCCN(C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C)[C@H](C)c1ccccc1OC	914507114	BSROROIQGROBBM-SUNMQZQPSA-N	423.557	4.667	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c1C	915169415	MQFMKOQEQAMVFH-PJFFMODPSA-N	421.541	4.566	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(/C=C(/C#N)c3nnc4n3CCCCC4)c2Cl)c1	915845719	QUYQDLHDNDUMNY-ATVHPVEESA-N	406.921	4.833	50	20	HJGD	
CCc1ccc(C(=O)NN=Cc2sc(Nc3ccccc3OC)nc2Cl)cc1	916542014	BKMCALPXBXJYDJ-UHFFFAOYSA-N	414.918	4.875	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCc2sccc2[C@H]1c1cccs1	917862794	KCHUHVBOHSODJU-IBGZPJMESA-N	424.012	4.927	50	20	HJGD	
C=CCN(Cc1ccccc1F)C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	918171267	WSNXKRKTXSFBNI-DZSAKIAFSA-N	421.516	4.545	50	20	HJGD	
Cc1ccc(Cn2ncc3c(C(=O)NNc4ccc(Cl)cc4)cc(C)nc32)cc1	1116345863	AYRKEVNXTSMONH-UHFFFAOYSA-N	405.889	4.507	50	20	HJGD	
O=C(NNC(=O)c1ccc(-c2cccs2)s1)Nc1ccc(OC(F)F)cc1	1256684959	FTEMGHMIKIDEHR-UHFFFAOYSA-N	409.439	4.545	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCC3(F)F)cc2)CCC1	1786464434	BDLVIAVTOPYONA-IAGOWNOFSA-N	412.908	4.963	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1	1824618657	LEPXVKMOZFWEGX-JTAQYXEDSA-N	409.014	4.760	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1	7634933	BCIFRJVIQLAWJA-WFVLPUPGSA-N	406.482	4.686	50	20	HJGD	
O=C(COC(=O)CCCC[C@H]1CCSS1)Nc1ncc(Cl)cc1Cl	11384146	PJZGPYTXNFQFAC-NSHDSACASA-N	409.360	4.584	50	20	HJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	72067716	XSMSXOWTRLAIDB-DHDCSXOGSA-N	400.862	4.610	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3nccs3)c2)c1C	210093855	IUDHTSVBASHECP-YODDIOPGSA-N	420.538	4.982	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CCSC)cc2)c1C	727670365	UDZGSFKCZIBZRF-WBRURWICSA-N	411.571	4.764	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNC(=S)Nc3cccc(Cl)c3)c2)cc1	728613610	AMHPDYNBYUYMGD-UHFFFAOYSA-N	422.897	4.635	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)oc1C(=O)O	729937588	WPSRLXPGAYYTST-LFIBNONCSA-N	420.396	4.550	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCC(OC(C)C)CC3)c2C)cc1	730509180	PSYHMVFQLMGSNI-JCMHNJIXSA-N	405.542	4.726	50	20	HJGD	
O=C(NNC(=O)C1CCC1)c1cccc(CSc2cc(Cl)ccc2Cl)c1	732140731	BRDLCFAERDEKEY-UHFFFAOYSA-N	409.338	4.847	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc1OC	732716241	MARUZNWVOAEGAI-XNTDXEJSSA-N	421.335	4.554	50	20	HJGD	
N#C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)c1c[nH]c2ccccc12	733083451	JNMHFWZVDRMLQM-RIYZIHGNSA-N	400.419	4.989	50	20	HJGD	
Cc1cccnc1[C@@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)C(C)C	734675054	BNLVUCYLKOWEMY-LBPRGKRZSA-N	402.713	4.769	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1C	736528252	SBWCNBKXAZRPHD-BKXOWHIXSA-N	423.532	4.763	50	20	HJGD	
CC[C@@H](NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(F)cc1	738417022	PIKVUBHYKLIGBQ-HSZRJFAPSA-N	403.457	4.515	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccncc1	741587654	WSPHBYPEIOZVIW-QFXXMJIKSA-N	402.473	4.803	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)c2)cs1	742669898	RJDCIQFNONZLKH-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)c1	745839773	NBOYJAHFXVWKQA-IBGZPJMESA-N	416.953	4.528	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(F)cc1Br)c1ccccc1C(F)(F)F	748074947	PUCDDOMUBOMBPF-VIFPVBQESA-N	405.189	4.854	50	20	HJGD	
O=C(Cc1csc(-c2cccc(Br)c2)n1)NNc1c(F)cccc1F	748175261	DHYAFTKGFYRCSB-UHFFFAOYSA-N	424.270	4.537	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NNC(=O)c1cc2ccccc2o1	749562206	HSGXSMNLILTEPT-AWEZNQCLSA-N	420.494	4.570	50	20	HJGD	
Cc1cnc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)s1	750086586	KCHMVUSCBLJKSJ-BFERYNQYSA-N	408.502	4.783	50	20	HJGD	
CCO[C@H](CCN(C)C)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752977963	RIOSENCRWRQVQN-CYBMUJFWSA-N	405.433	4.822	50	20	HJGD	
O=C(NC[C@H](O)COc1ccccc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752989357	BSXARAGDJDIESA-ZDUSSCGKSA-N	412.380	4.905	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cn(C)nc1C1CCCCC1	753177474	NLSUJPPEZLXRGG-UHFFFAOYSA-N	405.340	4.550	50	20	HJGD	
COc1cc(Cl)c(C=NNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1Cl	753923994	PHBOFSZKFKGGNM-UHFFFAOYSA-N	423.325	4.575	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1csc(-c2ccccc2Cl)n1	755853154	VFYRUEAQBNHZKL-UHFFFAOYSA-N	404.826	4.696	50	20	HJGD	
Cn1ccnc1SCc1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1	763617564	OCWXCGQPRGJHTM-UHFFFAOYSA-N	407.326	4.776	50	20	HJGD	
CCOc1ccc(NC(=O)NNc2ccc(Br)cc2Cl)cc1OC	769931051	AEKBQNMBDQCQIU-UHFFFAOYSA-N	414.687	4.658	50	20	HJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc(Cl)n1	777695320	KYTJEDDIGGJTTL-UHFFFAOYSA-N	409.498	4.870	50	20	HJGD	
CO[C@H](C)c1nc(COC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cs1	782069598	IUQQBBMTURHGMR-SHZLZMIXSA-N	401.532	4.575	50	20	HJGD	
COc1cc(O)cc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782916025	WNJXOYMETAARSA-UHFFFAOYSA-N	405.366	4.859	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cnc4c(C)cc(Br)cn34)c[nH]c2c1	783706369	CCUMSCIFPHHHRN-VGOFMYFVSA-N	419.282	4.985	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2F)nc1	786204513	DKFFOFAKHPIOOW-UHFFFAOYSA-N	408.220	4.863	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	801971838	STXBIAIEPIARER-INIZCTEOSA-N	413.440	4.857	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccoc2)cc(Br)c1OC(F)F	806557484	UGPGXKAGZXWVNT-LFYBBSHMSA-N	412.186	4.832	50	20	HJGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl	916334908	QPBWZXSWIBPTTL-GFCCVEGCSA-N	418.881	4.597	50	20	HJGD	
Cc1cc(C)c(C)c(OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1	916857593	NHTMEBRADXAUIG-KGENOOAVSA-N	410.477	4.902	50	20	HJGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(-c2ccc(Br)cc2)s1	917551624	WARNCOYQCFASPX-UHFFFAOYSA-N	405.239	4.970	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCc2sccc2[C@@H]1c1cccs1	917862795	KCHUHVBOHSODJU-LJQANCHMSA-N	424.012	4.927	50	20	HJGD	
CCCNC(=O)NNC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	921042405	SAYJXKBVHKQKIV-UHFFFAOYSA-N	417.918	4.733	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(-n2cnc3ccccc32)cc1	932523487	WJQOJNYHYMTYMV-UHFFFAOYSA-N	407.271	4.545	50	20	HJGD	
COc1cc(/C(C#N)=C\c2ccc(OC(F)F)cc2OC(F)F)ccc1[N+](=O)[O-]	1319799605	XEPXGZHUWZWEDO-SDQBBNPISA-N	412.295	4.870	50	20	HJGD	
CC(C)c1ccc(-c2noc(CCC(=O)NNc3ccc(C(F)(F)F)cc3)n2)cc1	1322835951	PSGYKIMCAVUNTH-UHFFFAOYSA-N	418.419	4.955	50	20	HJGD	
C[C@@H](CBr)C(=O)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1	1787625210	OPUMEBMEMVZGLQ-HNNXBMFYSA-N	421.379	4.732	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cc2ccccc2o1	1791604281	JZRNJJDGYLYLBQ-UHFFFAOYSA-N	417.292	4.984	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3cnc(C)s3)cc2)CCC1	1791836628	ZLHMVVQYSPPLJJ-GOSISDBHSA-N	419.978	4.536	50	20	HJGD	
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C(\C#N)C(=O)OC(C)C)cs1	15188860	DISMFVAHCJIETM-NTUHNPAUSA-N	423.416	4.705	50	20	HJGD	
O=C(NNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)c1ccccc1F	15426985	PWFNFDOAWBBBNS-UHFFFAOYSA-N	417.465	4.691	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCc2ccc(-c3ccccc3F)o2)c1C	15665412	AJEHVAPEPAFZSS-UHFFFAOYSA-N	411.502	4.653	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H](C)c2c(Cl)cccc2Cl)cc1	725880495	BQCZGLYNXVBRBB-NSHDSACASA-N	412.342	4.513	50	20	HJGD	
Cc1ccc2cccc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)c2n1	727330691	RXBITFBKWJPWFP-YRUATGHUSA-N	414.509	4.686	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccc(OCCC(C)C)cc2)c1	728431893	CJKGQIWNWDBQMG-UHFFFAOYSA-N	419.319	4.647	50	20	HJGD	
COc1cc(C2(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CCCC2)ccc1C	730998453	AQBWJWMJHKRWJX-UHFFFAOYSA-N	421.324	4.583	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cc3c(s2)CCCCCC3)c1C	734255896	UWOCQKHOIWHNRA-UHFFFAOYSA-N	407.543	4.633	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cnn(-c4ccccn4)c3)c2C)cc1	739656313	XBCMAOOWFUMSRI-BKUYFWCQSA-N	422.492	4.529	50	20	HJGD	
CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	741102577	CXEAADZKLIPPQC-PEBVRCNWSA-N	422.900	4.929	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNC(=O)c2cccc3ccccc23)cc1	741572588	CJDOTVFCFJOLMB-UHFFFAOYSA-N	415.518	4.584	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2cnn(C)c2)c(C)n1-c1cccc2ccccc12	741586986	UUULGQBQXFQXON-QLTNSANVSA-N	423.520	4.765	50	20	HJGD	
O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(OC(F)F)cc1	741772470	XFXIBLBNYJYUPL-UHFFFAOYSA-N	416.340	4.612	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)c(Cl)c1	741857166	XDOQTFLVBCAGTE-UHFFFAOYSA-N	403.722	4.978	50	20	HJGD	
CC(C)Oc1ccc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1	743525116	NUBWSKBRNIIPJG-UHFFFAOYSA-N	418.497	4.677	50	20	HJGD	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2cc(F)c(F)c(F)c2)c1	746706820	JSVPDQZLYHBLOW-UHFFFAOYSA-N	413.827	4.889	50	20	HJGD	
N#Cc1ccc(NNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1C(F)(F)F	746894739	BTQIWSJZQNHSED-UHFFFAOYSA-N	420.778	4.571	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cccnc1Sc1ccccc1	748703335	IBLINJHOXHBLSE-UHFFFAOYSA-N	419.428	4.931	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1	752303040	BHPGOTNYKHEKOB-GFCCVEGCSA-N	419.230	4.967	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2cccc(SC(=O)N(C)C)c2)cc1	752533794	GOCGDKANZARAOU-LDADJPATSA-N	410.495	4.509	50	20	HJGD	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2cc(Cl)ccc2Cl)c1	752811675	ZIHSJIZGNHGJQZ-UHFFFAOYSA-N	400.693	4.998	50	20	HJGD	
CCCN1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1=O	752986862	XGCUNGAJLTVGIF-UHFFFAOYSA-N	401.401	4.820	50	20	HJGD	
COc1ccc(NNC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)cc1	753788946	RELAZYWHNPCYEI-UHFFFAOYSA-N	404.253	4.946	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(C(F)(F)F)nc1Cl	754151154	YMIBVHXTCHELJM-UHFFFAOYSA-N	401.669	4.669	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)[nH]n1)Nc1ccc(SC2CCCC2)cc1	755736876	KAOFBWXIUHFLRF-UHFFFAOYSA-N	421.526	4.578	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](CCO)c2ccccc2)c(C)n1C1CCCCC1	755854985	MPWARFYYNJCPMF-RRDPUDRWSA-N	419.569	4.800	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(NC(=O)NNC(=O)CCCc2ccccc2)cc1	756193400	HHFLUABFBLZHIP-UHFFFAOYSA-N	414.465	4.526	50	20	HJGD	
CCCCOCCCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762640170	IUZQSOVKNDDNHB-UHFFFAOYSA-N	404.401	4.606	50	20	HJGD	
CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762965291	AUVIMJFEJSWACW-JTQLQIEISA-N	410.430	4.631	50	20	HJGD	
COc1ccccc1C(=O)NNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762980404	QYFLCXHWJXELSU-UHFFFAOYSA-N	411.352	4.819	50	20	HJGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	768576758	AKGGELFDAVKDAH-UHFFFAOYSA-N	423.350	4.748	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1C(F)(F)F	769919088	LIFGJOSRSDMKIR-UHFFFAOYSA-N	411.594	4.740	50	20	HJGD	
CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NNc1c(F)cccc1Cl	770811960	DSHMCCDQPYTOLS-UHFFFAOYSA-N	416.305	4.715	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1	771142505	GYGRBAUPUBXXEI-UHFFFAOYSA-N	413.840	4.583	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccnc(Br)c3)c3ccccc3n2)o1	771553776	OPNMAAAPKTYJSX-UHFFFAOYSA-N	423.270	4.718	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1	773197080	ZKVZKYSDRGQUDV-UHFFFAOYSA-N	412.386	4.789	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1cnc(Cl)c(Br)c1	775767030	JICKDLJQMQCSAL-UHFFFAOYSA-N	409.593	4.665	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccccc1OC(F)(F)F	779200541	IUCNGCGOEOQZFQ-UHFFFAOYSA-N	411.767	4.959	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(Cl)cn2)c(C)n1C[C@H]1CCCO1	781608717	RUQIEJNMJQEDKI-NSQUOEEFSA-N	413.905	4.544	50	20	HJGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)NCc3cccc(Cl)c3)cs2)c1	786055212	DANMLHPNOYFFJT-CXUHLZMHSA-N	409.898	4.695	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3cc4ccccc4[nH]3)cc2)n1	788407501	KOAIKSUAOKIEGT-UHFFFAOYSA-N	415.522	4.631	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(-c3nccs3)c2)c1C	790872150	LMZWUXVBOPXYJC-VBNMEBLOSA-N	421.522	4.948	50	20	HJGD	
CC(C)(C)OC(=O)CCc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)c1	791908754	DQEWSPYLMLDACW-UHFFFAOYSA-N	424.423	4.523	50	20	HJGD	
N#Cc1ccc(OC2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)c(F)c1	803556456	HJYOCBUXLVFPEN-QGZVFWFLSA-N	408.564	4.781	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cccc(-n2cccc2)c1	804209052	JOHWFRBOGVGXIS-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
CC[C@@H](NC(=O)NNc1ccc(Br)cc1Cl)c1nc(C)cs1	812030943	RRPXBIQJVCQTNT-LLVKDONJSA-N	403.733	4.645	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CC[C@@H](n2cccn2)C1	812917542	BGSIXKSVTKDEIW-BXUZGUMPSA-N	404.845	4.581	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1OCCc2sccc21	816596074	NJTKPSMWMXDQMZ-VFNWGFHPSA-N	421.522	4.518	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)OCc2nc3ccccc3c3ccccc23)cc(C#N)n1C	913286828	KLSWPUYZHISUSE-WQRHYEAKSA-N	406.445	4.557	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)S(=O)(=O)c3ccc(C)cc3)o2)c([N+](=O)[O-])c1	915852676	JESUMFSEFPYDTE-WQRHYEAKSA-N	424.434	4.510	50	20	HJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1nc2ccccc2s1	917059998	JAUFJOBHBZPMFY-UHFFFAOYSA-N	406.491	4.742	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3nccn3C)c2)c1C	918648280	UVTNFMPIMAZHNM-KGENOOAVSA-N	401.514	4.851	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1C	920231030	FGPCUXNTDMTPPU-CBMPFPMNSA-N	405.542	4.706	50	20	HJGD	
CC(C)Oc1cccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)c1	921260467	ACQYHUINEJTUEH-PXNMLYILSA-N	421.478	4.554	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3csc(C)n3)CCC2)cc1	1786443714	HAJSFPSOIFQYLD-INIZCTEOSA-N	405.951	4.607	50	20	HJGD	
O=C(CCc1ccccc1Cl)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788582488	HMHVCQMREQKZMS-IBGZPJMESA-N	423.315	4.941	50	20	HJGD	
CC(C)C1(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Br)cc3)CCC2)CCC1	1791438580	OAUQEHDFEBOEPE-OAHLLOKOSA-N	421.379	4.730	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C)c2)CC1	1824866885	PGIPPEMLCGFYDK-FCHUYYIVSA-N	419.009	4.565	50	20	HJGD	
Cn1cccc1C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124511	YMNXLWQZJIIFPN-UHFFFAOYSA-N	422.013	4.592	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccc(Cl)cc3s2)c1C	10414193	QZKDXJPPLJSKNB-OQLLNIDSSA-N	414.918	4.560	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCO[C@H](c3ccccc3F)C2)c1C	727393401	AAPYWIOFNYLTFH-YSSBIZNGSA-N	409.505	4.551	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl	727783990	YEFCKPBHXLOMQA-UHFFFAOYSA-N	409.125	4.932	50	20	HJGD	
C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727791634	NNVNGHDOHMLRCA-MRVPVSSYSA-N	422.095	4.529	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1	730037389	SJRHAVMPUHFYNU-UHFFFAOYSA-N	411.477	4.880	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)c(F)c2)cc1C	730515596	VQTOFDBXDJDTSI-UHFFFAOYSA-N	415.468	4.595	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@@H](COc1ccccc1)c1ccccc1	730907024	TZHIVEHDHBPSJP-FQEVSTJZSA-N	413.424	4.734	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc2c(C(F)(F)F)cccc2s1	733912583	LRFJVGJOLONMOM-UHFFFAOYSA-N	402.829	4.620	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2occc2Br)c(C)n1CC(F)(F)F	735303927	CEQSYZFXTMAFRY-WDZFZDKYSA-N	401.182	4.813	50	20	HJGD	
C[C@H](C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccs1	738506958	DPBWYICGCDYOFC-QMMMGPOBSA-N	407.870	4.542	50	20	HJGD	
CS(=O)(=O)c1ccc(NC(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1	741771860	QHXOQDILZPAJFF-UHFFFAOYSA-N	417.490	4.552	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1cccnc1Oc1ccc(Cl)cc1Cl	743817853	HKLZZGFNYVFWDL-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)c2c1	746844177	OFCNYAWWGXMUED-UHFFFAOYSA-N	414.292	4.802	50	20	HJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)c2)cc1	746897431	WPOLVWDEIWEMJG-UHFFFAOYSA-N	421.382	4.949	50	20	HJGD	
Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NNc1ccccc1Cl	748319932	ZBHYRERRESLXHE-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc(F)cc3C)cc2)n1	750917769	MOAYBNHBUAYBJB-UHFFFAOYSA-N	408.502	4.597	50	20	HJGD	
Cc1cccc(Nc2ccccc2C(=O)NNc2ccc(C(F)(F)F)nn2)c1C	755182524	LOJWRAUODNFDHW-UHFFFAOYSA-N	401.392	4.613	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OC/C=C/c2ccccc2)c(-c2ccccc2)n1	761401732	NEMBJFLHVBDFPX-HFSWGQLBSA-N	408.461	4.627	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1ccnc(Cl)c1F	764399803	HYBMVHFHUIZQOO-UHFFFAOYSA-N	413.461	4.700	50	20	HJGD	
N#C/C(=C/c1n[nH]c2cc(C(=O)O)ccc12)C(=O)Nc1ccccc1Oc1ccccc1	765501091	USJUZCMHYSRUCP-SSZFMOIBSA-N	424.416	4.599	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)c1C	766554412	KZBMZAINIYNAPG-APWZRJJASA-N	405.608	4.777	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H](Br)C(C)(C)C	767331416	JJROBLNKEREKRK-YOEHRIQHSA-N	409.368	4.758	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)C3CCCCC3)cc2OC)o1	767713885	MVYODTWSCCTSHF-PDGQHHTCSA-N	423.465	4.710	50	20	HJGD	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1	769971771	VCFPHSFCNHPQKS-CQSZACIVSA-N	420.435	4.869	50	20	HJGD	
C=Cn1cc(C=NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cn1	773005702	MCVXMEKEXLZJBE-UHFFFAOYSA-N	401.857	4.616	50	20	HJGD	
CCN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773660561	ZKNMHFPLRCZVPB-UHFFFAOYSA-N	423.407	4.769	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc(C(F)(F)F)cc1Cl	774805841	HGSHJJXMIFNDFV-UHFFFAOYSA-N	423.243	4.566	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc2cc(Br)ccc2c1	775243467	MANBPYMXYVCFEN-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1OCC	775248009	OOHOKCXMKVUWAT-UHFFFAOYSA-N	417.815	4.698	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2ccc(C(F)(F)F)cn2)cc1	775255309	OWKACZGTTAXSRB-UHFFFAOYSA-N	406.433	4.527	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(C(=O)NCc2ccccc2F)cc1	775519899	UCSONFJOMSNCEJ-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
Cc1cc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cnc1Br	783116032	RPEIAUROXZZTPI-UHFFFAOYSA-N	411.303	4.896	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c1	783356703	KQAXLTCRQWMQPA-GOSISDBHSA-N	403.482	4.525	50	20	HJGD	
CCOc1cccc(/C=C(\C#N)C(=O)N[C@@H](CC)c2ccccc2)c1OC(F)F	787141466	NQIJUVPONJHSOR-KJCUYJGMSA-N	400.425	4.861	50	20	HJGD	
Cc1c(Br)cc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-]	791722901	ODFBKLDYATUTTO-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
N#C/C(=C\c1ncc(I)s1)C(=O)c1cc2ccccc2s1	794711338	CLNHWMJBNOWDIC-UXBLZVDNSA-N	422.272	4.752	50	20	HJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(Br)ccc2OCC(=O)O)s1	797398375	HFRRPSNAGPFPNM-SDQBBNPISA-N	421.316	4.731	50	20	HJGD	
O=C(Cc1coc2ccccc12)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804207949	SDNZGMASLKGWIZ-UHFFFAOYSA-N	412.371	4.594	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C	805382195	ALMIZVATERCSMG-UHFFFAOYSA-N	421.240	4.930	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	806864055	BJEFYODDYITWQO-QLFBSQMISA-N	419.451	4.607	50	20	HJGD	
COc1cc(C(=O)NNc2c(C)cccc2C(C)C)cc(Br)c1OC	812768288	NJCHJXSUIDXLGH-UHFFFAOYSA-N	407.308	4.655	50	20	HJGD	
CC(=O)Nc1ccc(F)c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	817014313	BNXDZDSMWFQRKB-UHFFFAOYSA-N	423.288	4.579	50	20	HJGD	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1	914472159	LJQDPMQJDGYQGS-QTCOBDOFSA-N	409.493	4.557	50	20	HJGD	
CCCCN1C(=O)CC[C@H](C(=O)NNc2cc(C)cc(C)c2)[C@@H]1c1ccc(OC)cc1	917155053	QFSKXXDHERXMOE-UPVQGACJSA-N	423.557	4.535	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)c(-c2ccccc2)cc1OC	917623942	VTDGUKBHPKRABB-GRSHGNNSSA-N	413.429	4.889	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cccc(NC(=O)c2ccccn2)c1	918362451	QXEUFKKSQNJHII-GOSISDBHSA-N	415.584	4.664	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1sccc1C1CC1	921302194	UCRWDHUKERUINZ-UHFFFAOYSA-N	403.463	4.509	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1	1115830011	WJWIVOJGXOKOOI-CYVLTUHYSA-N	401.466	4.540	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccoc3)CCC2)cc1	1786011571	FKSRUVAPIRZAOW-RUDMXATFSA-N	400.906	4.692	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)cc(C)cc2C)n[nH]1	1823153390	FQAAYIXDRVVCKF-AEFFLSMTSA-N	416.953	4.658	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C)cc2)CC1	1824614681	PICCYPLNCRBDLS-YADHBBJMSA-N	419.009	4.565	50	20	HJGD	
O=C(NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cc2c(s1)CCC2	15475639	LFYXZDOWWFXIBM-QFIPXVFZSA-N	415.518	4.577	50	20	HJGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1	16392753	GMPSKPNOAGZQMI-CAPFRKAQSA-N	405.498	4.503	50	20	HJGD	
COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1OCc1ccccc1	33471323	MTAUAVVVQKUUIL-HMAPJEAMSA-N	419.502	4.921	50	20	HJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	72067675	AWDJNIXVJKLMKG-ZSOIEALJSA-N	420.387	4.667	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cccc(C(F)(F)F)c2)cnn1-c1ccc(F)cc1	110787796	FAILTRWSKXSZJG-UHFFFAOYSA-N	406.383	4.911	50	20	HJGD	
O=C(NN=C1CCC2(CC1)C(=O)Nc1ccccc12)c1c(Cl)cccc1Cl	727779121	OTNJTLXYRPBJCH-UHFFFAOYSA-N	402.281	4.543	50	20	HJGD	
C[C@H](OCc1ccccc1)C(=O)NNc1ccc(Br)cc1C(F)(F)F	731477346	FKZVJELEQVCDJF-NSHDSACASA-N	417.225	4.516	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cc(C2CC2)nc2ccccc12	732976252	MAUWABKYNNMQNA-UHFFFAOYSA-N	405.845	4.573	50	20	HJGD	
CCOC[C@H]1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C1	733763414	UEUHDMZFYOOJKS-VSIOZEBNSA-N	405.542	4.585	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1	734304651	QZEPAUNRKHFJOL-ODLFYWEKSA-N	422.891	4.564	50	20	HJGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNc1c(F)cc(F)cc1Br	741980033	DHZCXEPITHJDNG-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
CCOc1cccc2cc([C@@H](C)NC(=O)NNC(=O)c3cccc4ccccc34)oc12	743526954	PMMKQETXWQCULU-OAHLLOKOSA-N	417.465	4.690	50	20	HJGD	
COc1cc([C@H](C)NC(=O)NNc2ccc(Cl)nc2)ccc1OCCC(C)C	745644854	MLPLFTVNFPFONI-AWEZNQCLSA-N	406.914	4.556	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1	746883315	NVBSZLAIZDXWQW-UHFFFAOYSA-N	403.301	4.943	50	20	HJGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1	753464473	OVGLERQLGJQWPS-UHFFFAOYSA-N	424.675	4.568	50	20	HJGD	
N#C/C(=C\c1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)c1c[nH]c2ccccc12	754685907	QIQHYDWECGJYDV-XYOKQWHBSA-N	408.248	4.845	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccn(Cc2ccc(F)cc2)c1=O	755770732	VFWIALIESZJDSZ-QGZVFWFLSA-N	406.548	4.688	50	20	HJGD	
COc1ccc(C(=O)CCCCC(=O)NNc2ccc(Br)c(C)c2)cc1	759970193	BEJRKGMYKIFHMM-UHFFFAOYSA-N	419.319	4.653	50	20	HJGD	
O=C(NN[C@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1cccc2ccccc12	762640754	JNICJPLDPRUUCR-HSZRJFAPSA-N	420.472	4.914	50	20	HJGD	
CCO[C@@H](CCN(C)C)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762976862	YFFDBFLZLFTXFG-ZDUSSCGKSA-N	405.433	4.822	50	20	HJGD	
N#CCOc1ccc(C(=O)/C=C/c2ccc(OCCBr)c(Cl)c2)cc1	763100764	IXBGTZLXVCBSAB-LREOWRDNSA-N	420.690	4.912	50	20	HJGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)c1ccc([N+](=O)[O-])cc1Br	765613507	MONGHOWJVHNWBE-YHYXMXQVSA-N	403.623	4.723	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)c(C)c1	766555797	PFRBQAMSDCMUCG-QFBILLFUSA-N	405.608	4.777	50	20	HJGD	
C[C@H](Oc1cccc(Br)c1)C(=O)NN=CC1CCC(C(F)(F)F)CC1	767366532	FSAUISPKWMYRFQ-HIFPTAJRSA-N	421.257	4.687	50	20	HJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)C(=O)c3cccc4c3OCCO4)cs2)cc1	771513509	MMJHWPCPPDYAJD-WJDWOHSUSA-N	418.474	4.592	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)c1cc(F)cc(F)c1	772176580	NWCCDZWMSKKIHY-VLNUMFTISA-N	403.812	4.966	50	20	HJGD	
C[C@H](c1ccccn1)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773069036	RWFJUKVQESURFA-LLVKDONJSA-N	409.380	4.897	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1C	775558622	MVCLIOSYCQDIAS-VYVDHXHBSA-N	402.498	4.853	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)ccc1Br	777418245	HUROLHHNUUXDQA-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
O=C(NNc1ncncc1Cl)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1	789354840	BSYMEBBVMFNQHZ-UHFFFAOYSA-N	409.664	4.647	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C(=O)O)c1)c1cnc2ccccc2n1	790230995	HZPIGTQSERXZLW-XDHOZWIPSA-N	407.429	4.971	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc(F)cc2)C2CC2)c1C	790312327	QAMJCBWLYHNXDB-KKJJZKEWSA-N	409.505	4.550	50	20	HJGD	
C[C@@H]1CCSCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	792464431	MUWUKDGNCNKIGZ-SNVBAGLBSA-N	404.426	4.637	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCC[C@H]2c2cc[nH]n2)c(C)n1C1CCCCC1	807677976	TYXOOVIVAAACRE-WNPPMXKSSA-N	405.546	4.994	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C2CC[C@@H](c3ccccc3)C2)c2ccccc2c1=O	814743401	CDYQWKZQQLGZBT-LJQANCHMSA-N	416.525	4.640	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NNc1cccc(Cl)n1	817009336	FLYWAVXFDWCGFC-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Br)s1	912773753	UGJJHZWDJHQEMV-FNWMBBJUSA-N	406.301	4.663	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	915844772	JFNAEBFLIKDEQQ-XMHGGMMESA-N	404.470	4.693	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)c3ccccc3)cc2)cc1	915861916	FNUYTMPXEGIBRA-FXBPSFAMSA-N	424.504	4.702	50	20	HJGD	
Cc1nc2ccccn2c1C=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	915922829	IFDCJKKCGMDUGG-UHFFFAOYSA-N	423.451	4.761	50	20	HJGD	
CCCCOC(=O)/C(C#N)=C\c1c(C)nn(-c2ccc(Br)cc2)c1C	917144158	AXTPLJPWOFCGSV-PTNGSMBKSA-N	402.292	4.502	50	20	HJGD	
Cc1cc(C)c(C(=O)CCCC(=O)NNC(=S)Nc2cccc(C)c2C)c(C)c1	917365604	MATXXTTUYVLGMH-UHFFFAOYSA-N	411.571	4.600	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1	918585132	OEVRXYNWOGUWJN-ORQKMDSUSA-N	417.553	4.541	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1	1786012381	AXZQRZZNUDZWPE-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1	1786904361	BPFGZMXSNJXHBX-HXUWFJFHSA-N	423.340	4.583	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3)CCC2)cc1	1790493458	NVEAQTDVUACPDG-HXUWFJFHSA-N	423.315	4.810	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1	1824871594	YARMMSSPEHYDTC-INIZCTEOSA-N	424.935	4.604	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C)c2)CC1	1830303483	NECLETBVFNSSDD-FCHUYYIVSA-N	419.009	4.565	50	20	HJGD	
N#CC1(C(=O)N2CCCC23CN(C(=O)CCCCCCCCCCCl)C3)CCC1	1846975223	BIQMIAGIDZMLKT-UHFFFAOYSA-N	422.013	4.633	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)/C(=C/c1ccc(F)cc1)c1cccs1	16971511	AEFVGGGOQLNVDP-GZTJUZNOSA-N	400.862	4.542	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1C	24806706	VLHYSUMCJOGROV-HYARGMPZSA-N	420.557	4.526	50	20	HJGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)c1	729949627	VGMXICDNLVQSGI-FQEVSTJZSA-N	421.909	4.506	50	20	HJGD	
CCc1oc2ccccc2c1C=NNC(=O)[C@H](C)Oc1cccc(Br)c1	730551657	QKZJOZMVVCPOAM-ZDUSSCGKSA-N	415.287	4.675	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1OC(F)F)c1ccc(Br)s1	732924043	PVRRTKCYWCEJQR-UHFFFAOYSA-N	409.639	4.529	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccc(OCc3cccnc3)cc2)cc1	733417535	XMPBJALHLFEKCS-HMAPJEAMSA-N	414.461	4.710	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cnc(-c3ccc(C)cc3)s2)cc1	734307168	WJWIPYAUNSTXGR-PDGQHHTCSA-N	417.490	4.841	50	20	HJGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	739667813	VGZLILPGPXBPJQ-HKLRHMNMSA-N	420.332	4.502	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cn(-c2ccccc2)nc1-c1ccccc1	740091277	IBIKYYXCCZMRAY-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
C[C@H](C(=O)NNc1c(F)cc(F)cc1Br)c1ccccc1C(F)(F)F	741980588	LRBYNZOLMCOKGG-QMMMGPOBSA-N	423.179	4.993	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1	744571775	VPYLHPUBAZBXIS-YHZJOHHESA-N	412.873	4.525	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)c(Cl)c1	745788798	ZKFXSYQAZBPHTM-UHFFFAOYSA-N	413.909	4.591	50	20	HJGD	
Cc1cc([C@H](NC(=O)NNc2cncc(Cl)n2)c2ccccc2Cl)ccc1F	745856416	DQNINUGHBFRPEP-SFHVURJKSA-N	420.275	4.647	50	20	HJGD	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	747604751	BQTZSZVINYZZKC-UHFFFAOYSA-N	407.436	4.580	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc2sc(Nc3ccccc3)nc2s1	748004841	RHTAHLKUGHOGER-UHFFFAOYSA-N	411.468	4.767	50	20	HJGD	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNc1ccccc1F	748050113	CZPFFFSYRJKJEI-UHFFFAOYSA-N	403.866	4.858	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(F)c(C(F)(F)F)c(F)c1	760794440	XLLREAJMCKHJEL-UHFFFAOYSA-N	401.722	4.942	50	20	HJGD	
CC(C)(C)OC(=O)NCCOCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762724273	OYGRRCRSYJQQAT-UHFFFAOYSA-N	420.400	4.824	50	20	HJGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1ccc(OCc2cccnc2)cc1	767034324	WHZIGMKHGLQHDC-KSSFIOAISA-N	405.336	4.647	50	20	HJGD	
CCCCCCN(C(=O)CN1CC=C(C#N)CC1)c1nc(-c2ccccc2)cs1	767120691	VYJOHSGDUHUTIO-UHFFFAOYSA-N	408.571	4.879	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2c(C)oc3ccccc23)c1C	767214072	IJJUHUXCDIQTKA-YODDIOPGSA-N	405.498	4.590	50	20	HJGD	
CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NNc2c(F)cccc2Cl)c1	770298934	XCVCWZUHABCWNJ-UHFFFAOYSA-N	413.280	4.809	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2nccnc2C(C)C)cc1OCC	772868104	WUYISZZBHMXMDD-UHFFFAOYSA-N	406.914	4.588	50	20	HJGD	
CC(C)c1ncc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)s1	773060052	QXFJIJQDQSOBOO-UHFFFAOYSA-N	422.885	4.570	50	20	HJGD	
O=C(O)CC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776693257	NVDMDDXQDWFHGJ-LLVKDONJSA-N	423.425	4.752	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1	777828502	RBXVFYXIEGDYKY-UHFFFAOYSA-N	414.383	4.916	50	20	HJGD	
CN(C)c1cccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777918423	BTWWTZIMRPTSKC-UHFFFAOYSA-N	416.437	4.889	50	20	HJGD	
CC(C)Sc1cc(Br)ccc1C=NNC(=O)CNc1ccccc1	779757650	CLUSMBGMIXIDAU-UHFFFAOYSA-N	406.349	4.512	50	20	HJGD	
C[C@@H](NC(=O)NNc1ncnc2ccsc12)c1ccc(-c2cccc(C#N)c2)cc1	782753275	HAVHBHYHYJGUTE-CQSZACIVSA-N	414.494	4.617	50	20	HJGD	
O=C(O)Cc1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782912323	HWZJDZIAWRKWQF-UHFFFAOYSA-N	417.377	4.772	50	20	HJGD	
CCn1c2ccccc2c2cc(NC(=O)C(=O)NNc3ccccc3Cl)ccc21	784770886	QCUSLZCUBXIMDM-UHFFFAOYSA-N	406.873	4.550	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C	788190222	KVIXFKNDFDKWQJ-UHFFFAOYSA-N	419.460	4.584	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(-c2nc3ccccc3s2)s1	790588490	FEZFVQKQWKQOTD-UHFFFAOYSA-N	414.443	4.829	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1	791076740	VSKAQVVOWILDTL-UHFFFAOYSA-N	402.813	4.552	50	20	HJGD	
CC(C)(C(=O)NNc1ncc(Cl)cc1Cl)c1csc(-c2cccs2)n1	800540069	VYWBXCOKZXHRBV-UHFFFAOYSA-N	413.355	4.994	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1	804197499	CTJBFTVCLHBUCA-MRXNPFEDSA-N	413.871	4.777	50	20	HJGD	
CCc1nocc1C=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	814713815	WTRWHEKZZRQDKT-UHFFFAOYSA-N	404.857	4.870	50	20	HJGD	
COc1cc(NC(=O)NN=Cc2ccc(CSC(F)F)o2)c(OC)cc1Cl	814995698	XBOJDWVMGLEIJB-UHFFFAOYSA-N	419.837	4.562	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1cc(Br)ccc1NC(=O)[C@@H]1CCOC1	821634599	OHFCVXHTLCMNSD-CYBMUJFWSA-N	414.416	4.946	50	20	HJGD	
CC(=O)Nc1ccc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1	916307241	YXNAGSHHNALQQU-UHFFFAOYSA-N	421.884	4.641	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1csc(COc2ccc(Cl)cc2)n1	918713108	KSMRMODCDBGPHR-CRRBWHEBSA-N	415.946	4.977	50	20	HJGD	
C[C@@H](NC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1nc(C(C)(C)C)cs1	1116007462	JZPCBCJYYLCNQI-MRVPVSSYSA-N	421.876	4.895	50	20	HJGD	
Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](F)Cl)CCC4)cc3)c2[nH]1	1789018711	INGUVDBAZQXKHI-LJQANCHMSA-N	413.880	4.758	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C)c4n[nH]cc4c3)cc2)CCC1	1790863628	KMTYJZPIWGAIKG-LJQANCHMSA-N	424.932	4.636	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)CCCn3cccc3)cc2)CCC1	1791899768	OOWFCLCCJGSACS-UHFFFAOYSA-N	415.965	4.667	50	20	HJGD	
Cc1cc(F)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824015255	WHOKMPQMUYRDDJ-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
O=C([C@H](F)Cl)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1	1828009639	CRMKRPJVJMIPPD-SFTDATJTSA-N	416.924	4.608	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1	1830356213	QHBDJIIJAIRWMY-KUIZBPSLSA-N	409.014	4.760	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cc(C3CC3)nc3ccc(C)cc23)c(C)c1	6964739	FYXQEGMHMVDEHY-UHFFFAOYSA-N	404.539	4.669	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccco2)Cc2cccs2)c1C	217050252	VFHHMZHIYUMTNE-MOSHPQCFSA-N	423.538	4.542	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3nnc(C(C)C)o3)c2C)cc1	726994631	PYYHSZJNPCLEJB-ODLFYWEKSA-N	404.470	4.559	50	20	HJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	727254141	PFLWIMDONNKNAQ-LJQANCHMSA-N	416.525	4.521	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@@H](c1ccccc1)C1CCCCC1	730118772	LVRVFMVXYDEHKR-QFIPXVFZSA-N	402.498	4.500	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC(F)F)c1	734096453	MPZLHGZHRGNVDY-GHXNOFRVSA-N	412.314	4.861	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)c1C	735458303	DLHMDJQAUGJNAY-MPMPPSQCSA-N	420.340	4.843	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)NNC(=O)c3ccccc3C)s2)cc1	740026518	ZQACNGSTYDASTQ-KRWDZBQOSA-N	422.554	4.783	50	20	HJGD	
CCCCNC(=O)NNC(=O)c1oc2ccccc2c1CSc1cccs1	742376202	FVAXJSQIIJRQJL-UHFFFAOYSA-N	403.529	4.531	50	20	HJGD	
CC(C)Nc1ncccc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	743718282	NNQIRRCOHSYODV-UHFFFAOYSA-N	418.122	4.728	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3c(C)cc(C)cc3C)c2C(F)(F)F)cc1	743765179	YKGLAKBSVIPNMD-UHFFFAOYSA-N	402.420	4.882	50	20	HJGD	
CCCOc1ccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC	743805428	BVLZCASCIVPLSM-UHFFFAOYSA-N	419.481	4.618	50	20	HJGD	
Cc1cccc(C(=O)NNc2ccc(Cl)c(F)c2)c1NC(=O)c1ccccc1F	746695138	BIFUSAIIWRMFLS-UHFFFAOYSA-N	415.827	4.936	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1	748408686	ZKFTUWDOEZUMFM-UHFFFAOYSA-N	417.435	4.783	50	20	HJGD	
Cc1ccc(NNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1	749201140	WVDVNLVXAFDLCA-ZCYQVOJMSA-N	413.521	4.618	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)c2ccccc2C)c1C	750774876	JPCLOHFHLMESBX-CVHFWEDTSA-N	407.558	4.622	50	20	HJGD	
COCCc1noc(CN(C)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	762968485	NTXGHLHLNUZNSQ-UHFFFAOYSA-N	416.372	4.580	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)nc2Br)c1C	771450162	DJNMVPXDADZRSM-MHWRWJLKSA-N	401.308	4.527	50	20	HJGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1ccc(Br)c(F)c1	771681218	QEBXIBBAYUUQQB-UHFFFAOYSA-N	418.266	4.709	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)c(F)c2)ccc1NC(=O)CC(C)C	771690111	ALVIZMDXDZUDHH-UHFFFAOYSA-N	422.298	4.638	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(-c2ccccc2)cc1F	773752241	XPAZBNZFKVLHDG-UHFFFAOYSA-N	417.362	4.593	50	20	HJGD	
C[C@@H]1C[C@H](NC(=O)CCCC[C@H]2CCSS2)CCN1C(=O)OC(C)(C)C	773781452	CRDJNMIOKKBACC-OAGGEKHMSA-N	402.626	4.605	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1ccc(Br)cc1	778391797	QCISPJULRFPNCR-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
CC(C)C1(C)CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1	779225232	PZHXASJTNGPVPQ-LTGZKZEYSA-N	415.541	4.655	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(C(F)(F)F)c2)cc1	780148434	ROUPGRBJUVADDA-VGOFMYFVSA-N	421.806	4.606	50	20	HJGD	
COC[C@H](C)n1ccc(NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n1	782699517	LQEWPXWSNIINRZ-IINYFYTJSA-N	422.860	4.954	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)NC12CC3CC(CC(C3)C1)C2	786590916	YBEVPQFMHLUMMO-UWAICQJNSA-N	411.633	4.717	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1ncccc1C(F)(F)F	795121643	PWXYAKKYJYSYJB-UHFFFAOYSA-N	410.783	4.728	50	20	HJGD	
Cn1c(Cl)cnc1C=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	799466676	MGZLTCASNWAKHZ-UHFFFAOYSA-N	419.337	4.783	50	20	HJGD	
Cc1cc(Br)c(C(=O)NNc2ccc(OC(F)F)cc2)cc1Cl	804468609	UJEMDPBDSBOLAE-UHFFFAOYSA-N	405.626	4.769	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(-c2cccs2)nc2ccccc12	805377972	KGRMNOUFZKJSQT-UHFFFAOYSA-N	404.451	4.937	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1OC1CCOCC1	806644598	BJETUEVCGYIBEW-UHFFFAOYSA-N	413.371	4.551	50	20	HJGD	
Cc1c([C@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C(C)C)oc2ccccc12	806791778	HZGLCUIFGPTJOI-HXUWFJFHSA-N	404.470	4.606	50	20	HJGD	
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	808959718	ZHYJXRHGGMVIHL-MEBBXXQBSA-N	422.375	4.921	50	20	HJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)cc1[N+](=O)[O-]	915852788	XVVZQGBSHYZISY-ZROIWOOFSA-N	421.844	4.860	50	20	HJGD	
O=C(NN=Cc1ccc(F)cc1F)c1cn(-c2ccccc2)nc1-c1ccccc1	915905255	BXWSHZUEKXAKBR-UHFFFAOYSA-N	402.404	4.581	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NCc3ccccc3C)c3ccccc3n2)cc1	915909841	MHVDOGJGBAMOBF-UHFFFAOYSA-N	424.504	4.663	50	20	HJGD	
Cc1cc(C=NNC(=O)CSc2nc3ccccc3s2)c(C)n1Cc1ccco1	916302358	UVIWIGQGYMTDNT-UHFFFAOYSA-N	424.551	4.598	50	20	HJGD	
CC(C)CCn1nc(C(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)c2ccccc2c1=O	916334190	DZVVVDAXRBJEBJ-ZWKOTPCHSA-N	408.546	4.519	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C#N)c2nc3ccccc3n2C)cs1	917563679	RWNGWCGRYIGAQN-RVDMUPIBSA-N	417.469	4.918	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1	917901519	KUZXTZNZJPAPTJ-UHFFFAOYSA-N	418.921	4.566	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl	920884636	NGGONLISCJMRTE-UHFFFAOYSA-N	416.264	4.564	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]c(Br)c1	1117767807	SZXPGZDQOXITIE-UHFFFAOYSA-N	416.119	4.572	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccn2)c(C)n1-c1cccc(C(F)(F)F)c1	1317961520	UUNBHGLURKNRNA-WQRHYEAKSA-N	424.426	4.731	50	20	HJGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	1318616909	OFIDBQWERQUNAD-ZDUSSCGKSA-N	407.440	4.607	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc([S@@](C)=O)cc2)c1C	1329737979	IFLYGTJBGGIREC-OECYOIFVSA-N	417.534	4.686	50	20	HJGD	
CCN(CC)Cc1csc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)n1	1338614723	UCVGSFVWPFMNKJ-GRSHGNNSSA-N	413.591	4.605	50	20	HJGD	
CCCc1onc(C)c1C(=O)NC1(c2ccc(NC(=O)[C@@H](Cl)CC)cc2)CCC1	1790487268	ZFMFMXLPVJPIIP-KRWDZBQOSA-N	417.937	4.701	50	20	HJGD	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)Br)cc2)CCC1	1791437874	PZKDKAMTAWVBER-OAHLLOKOSA-N	407.352	4.650	50	20	HJGD	
CC(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(Cl)Cl)[nH]n2)cc1	1820591931	OUXSGVOKABAGOA-INIZCTEOSA-N	423.344	4.643	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1cccc2ccccc12	9793474	AWXBZGQWLULQJQ-CABCVRRESA-N	407.539	4.731	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccc(C)cc3s2)c1C	10410268	XVGFECRCHGZJBA-ZNBBLSJYSA-N	408.527	4.776	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)/C(=C/c1ccc(F)cc1)c1cccs1	16971122	VGODCIOFPWTADW-RGVLZGJSSA-N	424.541	4.792	50	20	HJGD	
COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	211252961	TWCAKVOXCRFZJM-SDQBBNPISA-N	407.253	4.565	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc(C#N)n1C	725716435	QCOZKNFTSHZBEM-CXUHLZMHSA-N	417.856	4.592	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	727379997	DJUSTBXSHSEXOD-BBWFWOEESA-N	416.653	4.995	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)c1c(Cl)cccc1Cl	727781617	SKBHXJSOVDNGJJ-UHFFFAOYSA-N	401.297	4.619	50	20	HJGD	
O=S(=O)(Nc1ccnc(Sc2ccccn2)c1)c1ccc(CCCCl)cc1	728507784	GOODGLOFLXUDCE-UHFFFAOYSA-N	419.959	4.600	50	20	HJGD	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)C(C)(C)c1ccccc1	731222433	XYUCABJTVJQPJN-UHFFFAOYSA-N	408.329	4.534	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1	732153481	CYFKMCPCHHZDRJ-AQTBWJFISA-N	405.498	4.924	50	20	HJGD	
O=C(NN[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(F)cc1Br	732916953	BMTIRHSMCJFQKN-FQEVSTJZSA-N	413.290	4.807	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cccnc2)c(C)n1-c1ccc(Cl)cc1	733153133	HJYJTMXBWBUGOK-DORSJAEJSA-N	404.901	4.927	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccnc(-n2cccn2)c1	739498021	KPMXSIYWBIVHQX-MRXNPFEDSA-N	412.824	4.739	50	20	HJGD	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(F)c(F)c2F)c1	743332184	NVURIMLEFOKUNQ-UHFFFAOYSA-N	413.827	4.889	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1ccc(Oc2ccc(Br)cc2)nc1	748089794	RSYVSMAYMISGMH-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(Oc2ccccc2)ccn1	748702728	MXWAYVWVAYWRNU-UHFFFAOYSA-N	403.360	4.572	50	20	HJGD	
CC[C@@H](C)Oc1cc(C=NNC(=O)c2ccc(F)cc2Br)ccc1OC	749447374	RSWNSVYCJGXSKN-GFCCVEGCSA-N	423.282	4.538	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(Cl)cc(C#N)cc1Cl	753175567	BYDPEADFZFLFGL-UHFFFAOYSA-N	413.102	4.947	50	20	HJGD	
Cc1ccc(Cl)cc1C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	753288456	UCIBHUPPSWJBGM-UHFFFAOYSA-N	422.259	4.952	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cc1Cl	753303497	WVSAHYQDESBTNS-UHFFFAOYSA-N	402.885	4.531	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)c1	759641756	FNWJXNLMDPUALR-SFQUDFHCSA-N	418.472	4.998	50	20	HJGD	
COc1cc(C(C)=O)ccc1OCCCC(=O)NNc1c(Cl)cccc1Cl	763617878	VQZYAVCLGOQJTM-UHFFFAOYSA-N	411.285	4.507	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1oc2ccccc2c1COc1ccccc1	766676458	MRRHPYWGVGDIPR-UHFFFAOYSA-N	416.462	4.773	50	20	HJGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)S(=O)(=O)c1cc(Cl)ccc1Cl	766777834	GPMVFQVRVUGFLO-WJDWOHSUSA-N	404.278	4.517	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c(OC)c1	773171513	MZGNIJAMVQLKPX-WZUFQYTHSA-N	408.198	4.534	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(N2CCSCC2)c(Cl)c1	775586781	NYZOWBFRRFFPFR-UHFFFAOYSA-N	413.934	4.590	50	20	HJGD	
C=CCCC[C@H](C)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	776016293	MRQQJFXFWULPJP-WFVLPUPGSA-N	421.932	4.885	50	20	HJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCCO2)C(=O)c1ccc(OC(F)F)cc1	776256077	AKDXJIZUARLSCS-RIYZIHGNSA-N	405.784	4.893	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)C2CCCC2)cs1)c1ccc(F)cc1F	781555338	GXFFXWJGCHEDGC-ZSOIEALJSA-N	401.438	4.772	50	20	HJGD	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)C(C#N)=C1Nc2ccccc2N1	782234475	VWGMDKRHJBWSSS-NSHDSACASA-N	414.412	4.900	50	20	HJGD	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)NNc1ccc(F)cc1F	783347785	YHWKMMNUSMXVSX-UHFFFAOYSA-N	415.827	4.675	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1ccc(C(C)C)cc1C(C)C	785154314	HLXCNQWNMCHARC-UHFFFAOYSA-N	404.514	4.872	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1	787133818	KZKUUGFSTSFMBT-UHFFFAOYSA-N	423.275	4.957	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1c(F)cccc1OC(F)(F)F	789130918	SHDUEVQLWGMLTH-XYOKQWHBSA-N	424.350	4.636	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1	789836679	WZGCASPLDRALRJ-UHFFFAOYSA-N	406.751	4.642	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1ccc(Br)c(OC(F)(F)F)c1	801176202	RJOIJGLKIWIXNT-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
Cc1nc2cc(C(=O)NNC(=O)Nc3c(Cl)cc(Cl)cc3Cl)ccc2o1	802069316	GHGVXXGTTHPTJF-UHFFFAOYSA-N	413.648	4.563	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(Cl)cc1OCC(F)F	806826351	MADSWNAWLDABNM-UHFFFAOYSA-N	410.730	4.546	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ccccn3)cc2)c1C	813304300	RVNLPSHZZICVSQ-SDLXJUDFSA-N	414.509	4.920	50	20	HJGD	
CCc1nocc1C=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	814695796	RIZQRZSYZQMBEW-UHFFFAOYSA-N	404.857	4.870	50	20	HJGD	
Cn1c(NNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)nc2ccccc21	816578947	WGUXVMHVZHMQSJ-UHFFFAOYSA-N	418.309	4.761	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)c1cccs1	915842356	SAYHWWIIQMGFCX-PTNGSMBKSA-N	422.437	4.661	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1	915878252	SRXMMQZOUUCQDH-UHFFFAOYSA-N	420.416	4.604	50	20	HJGD	
CC(C)=CCOc1ccc(CCC(C)=NNC(=O)c2ccc3c(c2)OCCO3)cc1	920371699	LWBGKGOCPGBLKK-UHFFFAOYSA-N	408.498	4.541	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C=NN(C)C(=O)OC(C)(C)C)cc1	920381104	LCEVMVYBXVQAMY-UHFFFAOYSA-N	406.486	4.749	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc(C(C)(C)C)nn3)c2C2CC2)cc1Cl	1116096595	YQBLRUHPMXMOHH-UHFFFAOYSA-N	424.936	4.556	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)c(C)n3)cc2)CCC1	1787169351	GGJIIAUNKWULPH-LJQANCHMSA-N	413.949	4.854	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cc2ccoc2s1	1788584278	TYDLBJMWWFXDJG-HNNXBMFYSA-N	406.866	4.776	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)CCC1	1789315567	WFMKZQXIMAWEBE-GOSISDBHSA-N	424.932	4.718	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC)cc2)n[nH]1	1820605001	CUYZIWAIPFIAMP-HKUYNNGSSA-N	416.953	4.686	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3n2C)cc(Br)c1OC	6907921	WPDRMQVVOOSIJW-ZROIWOOFSA-N	412.287	4.807	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)c1C	23724580	FHLYHGBIKMZEJY-CXUHLZMHSA-N	409.442	4.630	50	20	HJGD	
COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c2c(c1)C[C@@H](C)O2	727743686	GTJGFTQHTJPSPT-FNQVVVRFSA-N	424.305	4.664	50	20	HJGD	
CCc1noc(-c2ccc(CCNC(=O)CCCC[C@H]3CCSS3)cc2)n1	727744162	CNEGPMZQOYGHHR-KRWDZBQOSA-N	405.589	4.672	50	20	HJGD	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792284	OEYUSUXHDWGFOQ-QMMMGPOBSA-N	422.095	4.529	50	20	HJGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(Br)c4c(c3)OCCCO4)[nH]c12	735620361	YFGPMIUWPNGCMF-RIYZIHGNSA-N	410.271	4.859	50	20	HJGD	
O=C(NNc1cccnn1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1	736702361	QIPLYLALDRRNOA-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1cnc(-c2ccccc2)s1	739312073	ZQBALNJLMOXSHI-UHFFFAOYSA-N	405.229	4.700	50	20	HJGD	
Cc1cc(C)c(NNC(=O)CSc2nc(C)nc3sc(C)c(C)c23)c(C)c1	743765704	ZIIVAHAGSMUKOQ-UHFFFAOYSA-N	400.573	4.777	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCOCC2)c(C)n1-c1cccc(Cl)c1Cl	746376729	HQPQLVAANMSYGV-ATVHPVEESA-N	418.324	4.557	50	20	HJGD	
CCOc1ccc(C(=O)c2ccccc2C(=O)NNc2ccccc2F)cc1OCC	748056910	AJVJSNVOGFCGBJ-UHFFFAOYSA-N	422.456	4.611	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NNc3ccc(C#N)cc3)cc12	748114899	IUVVXGBDKNTRKF-UHFFFAOYSA-N	421.913	4.737	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1C	748686748	WHGRNXLUYLJMDL-UHFFFAOYSA-N	408.483	4.823	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(-c2ccccc2)c(C)nc1O	748740503	GZKKALXKENIQHQ-UHFFFAOYSA-N	412.287	4.590	50	20	HJGD	
O=C(/C=C\c1ccc2ccccc2n1)NNc1ccc(Br)cc1Cl	748775947	KCYWYGWWWFDFSJ-NTMALXAHSA-N	402.679	4.807	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c1C	752001703	JQGAAHKJIQLFQF-SMEDBKPVSA-N	409.534	4.730	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1cccc(NC(=O)C2CC2)c1	752467263	NDEXOTWFVUFIDT-UHFFFAOYSA-N	417.307	4.509	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)n1	753807581	HTZIPAVCUSYTGC-UHFFFAOYSA-N	424.675	4.689	50	20	HJGD	
O=C(NNC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1OC(F)F	755409956	SYHDQJSKNZWHOW-UHFFFAOYSA-N	411.817	4.623	50	20	HJGD	
COc1ccc(CN(C)C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762637774	XWNGPAHSKWOPDC-UHFFFAOYSA-N	424.391	4.950	50	20	HJGD	
O=C(CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)NCCc1ccccc1	762966041	GGDOZOIBTYEESG-UHFFFAOYSA-N	423.407	4.824	50	20	HJGD	
C[C@@H](Br)c1nc2cc(-c3ccc(Br)cc3)sc2c(=O)[nH]1	767357244	GLLKDYLPRNCCDF-SSDOTTSWSA-N	414.122	4.870	50	20	HJGD	
O=C(NN=Cc1cncs1)c1ccc(CSc2nc3ccccc3s2)cc1	767746814	MEBJSVGKPDTQDZ-UHFFFAOYSA-N	410.549	4.809	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F	769944677	VTSBRQXHXKJGSN-UHFFFAOYSA-N	412.799	4.856	50	20	HJGD	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NNc1ccc(OC(F)(F)F)cc1	769957758	JMHCPRNNWZVSGH-UHFFFAOYSA-N	410.396	4.637	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc(C(=O)N2CCc3ccccc32)c1	771132521	CWMVDUZLZSVNJH-UHFFFAOYSA-N	424.863	4.831	50	20	HJGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	771836228	BGOFNBXYNVLHKF-AWNIVKPZSA-N	408.342	4.562	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	775266067	CRKMBJFJGVVTNN-JSFIFOFKSA-N	408.251	4.980	50	20	HJGD	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	777306758	AVGDRMQVENLGSI-UHFFFAOYSA-N	424.866	4.806	50	20	HJGD	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NNc1cccc(C(F)(F)F)c1	782752285	QPBLWBVGFNOQMJ-UHFFFAOYSA-N	416.425	4.574	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cc(N2CCOCC2)ccn1	784513027	PEKJRGQYMGUZIM-UHFFFAOYSA-N	409.380	4.828	50	20	HJGD	
O=C(COC(=O)CCCC[C@H]1CCSS1)Nc1ccc(N2CCCCC2)cc1	786589997	JUFBYLJRAZDVQM-IBGZPJMESA-N	422.616	4.873	50	20	HJGD	
COCCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1	787260272	CWMPEBGWKOXIME-BRFSQIRFSA-N	418.415	4.554	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(CSC3CCOCC3)c2)ccc1Cl	788603278	AHLCUNGKEOGCIA-UHFFFAOYSA-N	421.950	4.909	50	20	HJGD	
Cc1cc(C(=O)NNc2c(Br)cccc2Br)sc1C	801502544	NQVMQERCTTYYEV-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c(-c2cnn(C)c2)c1	801648316	PWQMLARWURZWEX-MHWRWJLKSA-N	421.298	4.704	50	20	HJGD	
O=C(NNc1cccc(F)n1)Nc1ccc(Oc2cccc(F)c2)c2ccncc12	806256103	KSBSNDCIHRBJRZ-UHFFFAOYSA-N	407.380	4.849	50	20	HJGD	
CCN(CC(C)(C)C)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	813321802	JBQKVVMXWOJZPN-AQTBWJFISA-N	423.948	4.919	50	20	HJGD	
Cc1ccccc1NNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1	832624667	IJRSJZIJPMFKQY-UHFFFAOYSA-N	423.476	4.805	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C2CC2)[C@H](C)c2ccccc2)c1C	914479290	BEMJROYSJCPAQH-RKEBYBPRSA-N	405.542	4.972	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3cccc(OCC#N)c3)n2)cc1	917622383	QHYURBFLAJEKET-UNOMPAQXSA-N	414.490	4.821	50	20	HJGD	
O=C(NCCOCC(F)(F)F)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918204155	UNPFKVHVGOBOQI-JTQLQIEISA-N	410.767	4.606	50	20	HJGD	
Cc1cccc(NNC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1	918322364	LRVUDFXCFCDGGJ-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ncc(-c3ccccc3)o2)c(C)n1CC(C)C	919712905	OIFMZRVCHUNVCU-SRZZPIQSSA-N	402.498	4.639	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)cc2)c1C	921259802	ZNCLVFJTXFCYER-DHDCSXOGSA-N	420.387	4.539	50	20	HJGD	
O=C(NC[C@@H](CO)CC1CCOCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	1320822939	IOFRTKVYDHVXSD-ZDUSSCGKSA-N	418.428	4.891	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)ccc3F)CCC2)cc1	1790487915	FVFYFFVOQTZIPI-GOSISDBHSA-N	418.896	4.599	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3F)cc2)CCC1	1791377717	NEJNVZJWTGXRBD-GOSISDBHSA-N	420.887	4.659	50	20	HJGD	
CCc1cc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)cc(C)n1	1791604732	JLPHJVFIJAPBOV-UHFFFAOYSA-N	420.340	4.504	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CC(C)C)cc1	1800644395	LPQBOYGKSXGXDG-WOZUAGRISA-N	404.982	4.544	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)ccc2F)[nH]n1	1815322621	UCIRQELLZZRUDM-YJBOKZPZSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](C)CC2)n[nH]1	1822941567	NAYZSPVHEBSRDD-OVWQWFNUSA-N	408.974	4.636	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)CC1	1830564433	JFBPELNTSOIOBV-CTNGQTDRSA-N	422.972	4.775	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc(-c3ccsc3)no2)c(C)n1CCC(C)C	16794743	WWMBJSKXSNGSQH-VXLYETTFSA-N	424.526	4.913	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	26624342	OEDAITHVUJJCNQ-UHFFFAOYSA-N	424.284	4.639	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc2cc(Br)ccc2o1	195551021	JTIZHYPXPQUFLL-UHFFFAOYSA-N	410.065	4.715	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2)cc1	207838516	WXZKZWHCBXSOGN-ZHZULCJRSA-N	411.461	4.802	50	20	HJGD	
CC(C)c1nc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cs1	726620708	ZAQBSKANKANBSJ-UHFFFAOYSA-N	422.885	4.570	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](C)C#N)c(C)n1-c1cc(Cl)ccc1Cl	732111580	PGLHQOVZVWXHQV-YNUIFBACSA-N	401.297	4.584	50	20	HJGD	
CCc1cc(NNC(=O)[C@@H](SCc2ccccc2)C(C)C)nc(-c2ccccn2)n1	738531788	MLZFKLHGYHALHT-NRFANRHFSA-N	421.570	4.502	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3nnc(CC)o3)c2)c1C	743785439	XGYPRBJBPLSXRL-XDHOZWIPSA-N	403.486	4.673	50	20	HJGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1	743823179	WOIHYUKZKIGWRA-UHFFFAOYSA-N	412.342	4.693	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2cc(Br)sc2Br)c1	748413074	PCJXGPQSCOGJHZ-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
Cc1c(C(=O)NNc2cccc3c2CCCC3)cnn1-c1cccc(C(F)(F)F)c1	748573865	NZHIBCFENIPACT-UHFFFAOYSA-N	414.431	4.835	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccn2)nc2ccccc12	748716940	YQKXTVBXFAHZBS-UHFFFAOYSA-N	419.828	4.615	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1C	751302270	MBENOSKRRNABSS-HMMYKYKNSA-N	424.508	4.770	50	20	HJGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNc1cc(C(F)(F)F)ccc1F	754147633	BNACZJBPXMNBQB-UHFFFAOYSA-N	409.408	4.957	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1scc(C)c1Br	754283749	XQGHFTMSQDZTNS-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
Cc1ccc(C)c(SCc2cccc(C(=O)NNc3ncccc3[N+](=O)[O-])c2)c1	759302145	LYVXYANYWRWYIW-UHFFFAOYSA-N	408.483	4.656	50	20	HJGD	
C[C@H](C=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1cccc(Cl)c1	763344697	CTABJBGZNGZWHA-SSDOTTSWSA-N	406.100	4.797	50	20	HJGD	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)NNc2ncnc3ccsc23)cc1	765806149	QYRKTDONEZGQPK-CQSZACIVSA-N	419.510	4.754	50	20	HJGD	
Cc1ccc(F)c(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c1F	766880752	NEKXWHSBVZCFMF-UHFFFAOYSA-N	409.152	4.811	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cccnc3Cl)c3c(C)noc3n2)c(C)s1	769679379	KMGUETBPBHGBJM-UHFFFAOYSA-N	413.890	4.682	50	20	HJGD	
C[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1cccc(OC(F)F)c1	774932773	ODOIIQXPMWTXGC-GOSISDBHSA-N	415.420	4.953	50	20	HJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3c(Cl)cnn3C)n2)cc1C	780148396	QVEHQGVRKPMXBG-VGOFMYFVSA-N	411.918	4.668	50	20	HJGD	
Cc1nnc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)s1	781865406	JDGJSVRRPWUKFW-NGWPFTMJSA-N	410.474	4.605	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	788148427	QJXMBYCXJUJXPY-WOJBJXKFSA-N	421.428	4.560	50	20	HJGD	
CC(C)n1nc(-c2ccco2)cc1NC(=O)NNc1ccccc1OC(F)(F)F	788838007	YYKKFUCXNRHVBE-UHFFFAOYSA-N	409.368	4.771	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCCC[C@@H]1C(F)F	800647440	ZSOOPCJDBWCUPD-LLVKDONJSA-N	408.339	4.929	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2nccnc2C2CCC2)c(OC2CCCC2)c1	805469554	HWSOTQVXBOOVJB-UHFFFAOYSA-N	410.518	4.611	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(C)nc1C	814702079	LKZDPXJYTIHQAS-UHFFFAOYSA-N	419.554	4.552	50	20	HJGD	
COc1ccc2cc(C(=O)NNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1	817015910	WUFSJDNLTGECQQ-UHFFFAOYSA-N	417.309	4.971	50	20	HJGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1ccc(C(F)(F)F)nc1Cl	817870496	RDQZTXNBDNBGCH-XVKPBYJWSA-N	401.654	4.741	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nnc(C(C)(C)C)o2)c(C)n1-c1ccc(F)cc1	914893020	KVVWVKJCJDIPDO-GZTJUZNOSA-N	422.460	4.564	50	20	HJGD	
CCCCCNC(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	917560142	RUOAEMJQZXYWFO-RVDMUPIBSA-N	416.934	4.694	50	20	HJGD	
CC(C)C(=O)/C(C#N)=C\c1c(-c2ccc(Br)s2)nc2ccccn12	917621857	ZCYRKZGSSQWXQM-XFXZXTDPSA-N	400.301	4.957	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ccccc2n1	1321691859	PHLWWCJFSCBLKW-UHFFFAOYSA-N	423.398	4.512	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)C3(C(F)(F)F)CC3)cc2)CCC1	1789195513	SVACUXFMCMCMBC-UHFFFAOYSA-N	416.871	4.728	50	20	HJGD	
CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)CC1	1789648070	JHZUUXPXJNUMMN-SFHVURJKSA-N	414.622	4.718	50	20	HJGD	
Cc1cc(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)c1	1792111541	HCVIJBHDZHGINZ-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccsc2)[nH]n1	1815317792	INGMANIPFCAJSW-RDJZCZTQSA-N	422.982	4.504	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)CC1	1825439533	QOOOZQOCIZZXCC-RBUKOAKNSA-N	422.013	4.563	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)c1	17578672	OLCRGTNJQRXVGX-FYJGNVAPSA-N	412.493	4.907	50	20	HJGD	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1	40024485	OVFDQTKUZGOQRP-UVTDQMKNSA-N	412.371	4.650	50	20	HJGD	
CN(C(=O)c1ccco1)c1ccccc1C(=O)NN=C(c1ccccc1)c1ccccc1	97553880	WVTWGMPUHULBCJ-UHFFFAOYSA-N	423.472	4.739	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)c1C	207074512	ROVORAAZEFAVPV-DZSAKIAFSA-N	421.541	4.621	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccc(C)cc1	255951261	JROYEKJGUVKENI-JLIGMNHTSA-N	405.542	4.767	50	20	HJGD	
O=C(CCCCc1ccc(Br)cc1)NNc1ccc(F)c(F)c1F	728715647	SFGAIUGWJBRTCP-UHFFFAOYSA-N	401.226	4.723	50	20	HJGD	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	730446510	AVYJGAOUMVBUBY-CSNVJCEJSA-N	409.357	4.536	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)c3ccc(F)cc3)cc2)cc1	730589221	LFMBPPVGIKQHLE-KGENOOAVSA-N	415.420	4.981	50	20	HJGD	
COCC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	732778066	SKWTUDLGSORUCK-DEDYPNTBSA-N	411.933	4.540	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)cc1	732978094	YRULJKLETBEXIV-UHFFFAOYSA-N	400.866	4.572	50	20	HJGD	
CSCc1c(C(=O)NNc2nc(-c3ccccn3)nc(C)c2C)oc2ccccc12	734255769	KLDNGUPFTAJSQP-UHFFFAOYSA-N	419.510	4.522	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1Cl)C(=O)N(CC(F)(F)F)C1CC1	742435388	WUAQDFPBASOAHH-YHYXMXQVSA-N	407.617	4.563	50	20	HJGD	
C[C@@H](CCc1ccccc1)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743503093	OJHDECMGHYUWSJ-SFHVURJKSA-N	402.498	4.711	50	20	HJGD	
CC(C)(C)c1ncc(/C=C\C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)s1	743826053	RAPXHFARXCQGSA-YPKPFQOOSA-N	420.538	4.974	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)o2)cc1	746893699	OJAZHLNQZZFSNB-UHFFFAOYSA-N	413.355	4.797	50	20	HJGD	
Cc1c(I)cccc1C(=O)NNc1ccc(Cl)cc1Cl	748008386	ICMGRMNHIDTLMF-UHFFFAOYSA-N	421.065	4.663	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc3cnccc23)c2ccc(Br)cc2n1	748770193	YAUQHUDVTHEFBT-UHFFFAOYSA-N	407.271	4.611	50	20	HJGD	
Cc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c(OC[C@H]2CCCO2)c1	751271306	MZSVCBYGIYUJNA-GOSISDBHSA-N	423.962	4.525	50	20	HJGD	
Cc1nn(-c2ccccc2)c2ncc(C(=O)NNc3cc(Cl)ccc3Cl)cc12	752813348	SMSHAWPDZWSOSL-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnc(-c2ccccc2)nc1C	753168762	LNZPXDHVVFHABV-UHFFFAOYSA-N	411.303	4.534	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccccc2C(=O)NNc2ccc(C#N)c(Cl)c2)c1	753313722	SZDRPWZSGHDNHQ-UHFFFAOYSA-N	404.857	4.529	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1	759326504	QVRPNHNNKCTLJK-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1	776066312	QQOQHDMGBQDCRQ-UHFFFAOYSA-N	418.419	4.543	50	20	HJGD	
C[C@H]1c2cccn2CCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777853202	MRJIVLRCHPRTTQ-NSHDSACASA-N	402.410	4.911	50	20	HJGD	
CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C12CCC2	777974173	ZPUJKTIXOSWBQO-ZIAGYGMSSA-N	421.453	4.970	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)Nc1cccnc1-c1ccc(Cl)s1	782910290	LJORBRGJLHRRNO-UHFFFAOYSA-N	424.711	4.770	50	20	HJGD	
Cc1ccccc1[C@H](O)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782979165	HUYIPEKAGVTKLX-OAHLLOKOSA-N	417.421	4.664	50	20	HJGD	
CCCN(C)C[C@@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782979742	KTDRMBJMONQFBA-ZDUSSCGKSA-N	422.485	4.696	50	20	HJGD	
COc1cc(NNC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)ccc1Cl	790177110	YFFGCULISAKXGQ-SNVBAGLBSA-N	415.690	4.572	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1SC(F)(F)F	792441019	KCKBELROYAFHBI-UHFFFAOYSA-N	424.231	4.687	50	20	HJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	794935952	BSJSZZXYMFPIMP-FRKPEAEDSA-N	404.388	4.772	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1	794953824	PGLXXSWMRCAERR-KRWDZBQOSA-N	412.509	4.645	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=C(\C#N)C(=O)C2CCOCC2)cc1	794954823	WBARJRZKGXSYGW-XSFVSMFZSA-N	415.468	4.890	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H]2CC(C)(C)Oc3ccccc32)c1C	799438353	KYNNMNQHQRPZRR-QUYTYNJFSA-N	408.498	4.504	50	20	HJGD	
COc1ccc(C(=O)NN=C2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC	799466088	QOUJYDYDZOJKTQ-AWEZNQCLSA-N	406.404	4.776	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cccc2cccc(Br)c12	803118952	KBVGSPGHJYHULS-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)[C@@H]1C[C@@H]1c1ccc(F)cc1	804208132	YZFXBIPDDQJASJ-IAGOWNOFSA-N	416.378	4.548	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@H](c1ccccc1)c1cc2ccccc2o1	806351850	SXINPTUIIJWEIE-HSZRJFAPSA-N	424.460	4.690	50	20	HJGD	
CCc1sc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1Br	815853414	JQPFNDFBIAPSCD-UHFFFAOYSA-N	409.227	4.729	50	20	HJGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	915842970	CPHIPFGJISTFAX-GRRFOWRYSA-N	416.817	4.526	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1O	915989620	AITMIMZNPXEIAE-NYYWCZLTSA-N	415.218	4.574	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)c3c[nH]c4ccccc34)c2Cl)c1	916285889	NPDULDVIPKTIQJ-UHFFFAOYSA-N	405.889	4.696	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccnn2[C@H](C)CC(C)C)c(C)n1C[C@H]1CCCO1	917667640	CYIJLLAGDPNTGP-MHQXZBTLSA-N	423.561	4.633	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CCN(c3ccccc3)CC2)c1C	919699839	ISILIXFRMXMCPA-XLNRJJMWSA-N	404.558	4.597	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(OCC(C)C)c2)c1C	919891664	ILIUZJKRPCGZCA-DOUQRPAJSA-N	423.557	4.571	50	20	HJGD	
CN1CCN(c2ccc(/C=C(/C#N)C(=O)c3cc(Cl)cc(Cl)c3)cc2F)CC1	1320256101	BYWOLAVIYZIHRY-PXNMLYILSA-N	418.299	4.674	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3sccc3F)CCC2)cc1	1786011589	GMGCVAZULHBFRC-UHFFFAOYSA-N	408.926	4.900	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccc(O)cc3)CCC2)cc1	1790489790	LJMHVTYDAWUEHU-MGPUTAFESA-N	414.933	4.647	50	20	HJGD	
Cc1ccc(C)c(CC(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)c1	1791338611	SWRLGGBVRUUCTO-HXUWFJFHSA-N	402.897	4.514	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)s2)CC1	1825784892	BETQDSIPZPHBBR-ZWKOTPCHSA-N	411.011	4.697	50	20	HJGD	
C[C@H](C[C@@H](C)P(c1ccco1)c1ccco1)P(c1ccco1)c1ccco1	2332240980	MLZNHBIDKMVUCU-IAGOWNOFSA-N	400.351	4.791	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc(OC)c1O	7208951	OYYIIPPYUKACPH-LICLKQGHSA-N	420.440	4.746	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)Nc1ncc(Cl)cc1Cl	11384742	NVPTWWYZTUKHMA-PWSUYJOCSA-N	423.387	4.973	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2c(F)cccc2Cl)c(C)n1C[C@H]1CCCO1	213038441	PJUONSNRRBZIHG-DAIOKFOQSA-N	416.880	4.727	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=S)Nc1c(Cl)ccc(C)c1Cl	728445926	KQHNGPYQQFPSAS-UHFFFAOYSA-N	418.733	4.595	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)NCc1ccccc1Cl	729306995	HRZWVCTYDYDABF-DZGCQCFKSA-N	401.981	4.602	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3ccc(Cl)s3)cc12	730430060	NPLXXCKNISHMOH-UHFFFAOYSA-N	400.916	4.874	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC[C@@H](n2ccnc2)C1	732416672	NKBMXSWGAVLIFE-IUODEOHRSA-N	418.872	4.971	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cnn(C(C)C)c2)c(C)n1-c1ccccc1F	732748905	QQXGUDSSRLXWEH-PBGVMVHZSA-N	419.504	4.795	50	20	HJGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1nc(-c2ccc(Cl)cc2)no1	732976710	KQDFGINYODDPIK-CQSZACIVSA-N	410.783	4.569	50	20	HJGD	
COc1cc(C(=O)NNc2ncccc2Cl)ccc1OCc1ccc(Cl)cc1	734247639	UQWXCJOMIXOKEC-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
COc1ccc([C@@H](Cc2ccccc2C)NC(=O)NNc2ccccc2)cc1OC	734273855	PHPAIOXMWZRDKC-OAQYLSRUSA-N	405.498	4.622	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2c(Cl)nc(Cl)n2-c2ccccc2)cc1	734303917	AYGOXUNXEMJKRB-LFIBNONCSA-N	411.292	4.711	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cs1)C1CC1	734305752	FDIAZEJBKJSDHV-XFFZJAGNSA-N	421.309	4.511	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(CN(C)C)cc2)c(C)n1CCC(C)C	738515973	HCDJUJFMUMCUTD-MYYYXRDXSA-N	420.601	4.778	50	20	HJGD	
O=C(CCc1nc2cc(Br)ccc2s1)NNc1cccc(Cl)c1	742516875	OUZFRSRGDQSJHY-UHFFFAOYSA-N	410.724	4.788	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)cc(C#N)n1C	742779423	RFXNPSIWWACPNT-OVCLIPMQSA-N	403.511	4.658	50	20	HJGD	
Cc1nnc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)o1	744479017	UUOGIQHJXHIVGT-VEJKBTLKSA-N	410.861	4.650	50	20	HJGD	
CC(C)CCOc1ccc(NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)cc1	744791738	YGGZDATZXFXFJJ-UHFFFAOYSA-N	410.301	4.500	50	20	HJGD	
O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)NNc1ccc(Cl)nc1	745868573	HYYHAQQQVRJLQY-UHFFFAOYSA-N	404.804	4.632	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Oc3cccnn3)c2)c(C)n1CC(C)C	748351093	OVCMYUDCYLBFCP-NDENLUEZSA-N	415.497	4.889	50	20	HJGD	
COc1ccccc1SCC(=O)NN=Cc1c(Cl)ccc(Cl)c1Cl	761269423	CECGPKDCZMUELQ-UHFFFAOYSA-N	403.718	4.898	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1Oc1ccncc1	761590735	QDFOEQSJVZXZDK-UHFFFAOYSA-N	403.360	4.838	50	20	HJGD	
O=C(CNc1cccc(S(F)(F)(F)(F)F)c1)NC(=O)NCc1ccccc1	762530388	GNSXPIARDXLBRN-UHFFFAOYSA-N	409.380	4.782	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C(C(C)C)C3CC3)s2)cc1	764761091	HZNURKHWIBTCBY-UHFFFAOYSA-N	420.629	4.769	50	20	HJGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cc(C(F)(F)F)ccc1F	765180192	YLVRMGIVKPFMEK-UHFFFAOYSA-N	403.357	4.622	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc[nH]2)cc1	766261969	OVCNTCBMBXGCRL-UHFFFAOYSA-N	423.687	4.724	50	20	HJGD	
COc1cc(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1[N+](=O)[O-]	766778511	MAOWIJXHLBNRHK-XDHOZWIPSA-N	423.432	4.915	50	20	HJGD	
O=C(Cc1csc(-c2cccc(F)c2)n1)NNc1ccc(Br)c(F)c1	771691166	IIYXOAPRSOHWCD-UHFFFAOYSA-N	424.270	4.537	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1	777482158	BVPIYLWDRVQNNX-UHFFFAOYSA-N	414.440	4.692	50	20	HJGD	
COc1cc(C(=O)NN=Cc2cnc(-c3ccco3)s2)ccc1OCCC(C)C	782166207	JFHCLEHJSMMKEP-UHFFFAOYSA-N	413.499	4.601	50	20	HJGD	
Cc1cccc2c1OCC[C@@H]2OC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	789496420	IEAPVGPKLCFNEY-WTXLEIQCSA-N	420.509	4.566	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccccn1	790440004	SARRRGQGKORVNE-LJQANCHMSA-N	417.296	4.813	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cc(C)ccc2C)c1C	801072914	JMFISYKHZRUSJW-BKUYFWCQSA-N	407.514	4.611	50	20	HJGD	
COC(=O)N1CCC(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	806402721	ZHNYXGVXXHFRNI-UHFFFAOYSA-N	417.400	4.944	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)Nc1ccc2nc(C(F)F)sc2c1	806699852	ZHQIHSRFGFATPX-UHFFFAOYSA-N	412.421	4.854	50	20	HJGD	
Cn1nc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1C1CC1	811714427	RXBRELDNIAMXNW-UHFFFAOYSA-N	403.398	4.756	50	20	HJGD	
C[C@@H](C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1	817013824	FKYONEIEHQHLLV-SECBINFHSA-N	421.297	4.879	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(F)cc2F)cc1	876993873	VBOVCIDUAJANSL-UHFFFAOYSA-N	420.419	4.583	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)CC(C)C)c1C	914518391	ONKGTLWRHBJDTJ-FINLKQIMSA-N	407.558	4.904	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCOc2ccc(C(C)C)cc2)c1C	915710740	OAPJRUWUZILSRH-CSMVZQPBSA-N	423.557	4.538	50	20	HJGD	
Cc1ccsc1C=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	916287389	KFSVVFFXFFGLDL-UHFFFAOYSA-N	406.536	4.989	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(CSC(F)F)o1	916336904	SCMCNHUNWJTNKT-CYBMUJFWSA-N	404.438	4.806	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(F)F)c(F)c2)c1C	917712060	GPEXPEJMWGGIAT-TUTDSIAXSA-N	421.419	4.599	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(-n3cnc4ccccc43)cc2)n1	920386890	GNGMEUPIGNKNDM-LFIBNONCSA-N	400.463	4.723	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)c1cccc(OCc2ccc(Cl)cc2)c1	1318317904	JQKGZKDLPZTOPC-UHFFFAOYSA-N	415.276	4.647	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1nc(-c2ccc(F)cc2)n2c1CCCCC2	1318565003	VASFZIUCLCXHMU-UHFFFAOYSA-N	421.501	4.782	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@H](C(=O)NC3CC3)C2)cc1	1327716088	DSWHONAAAUWAFR-FQEVSTJZSA-N	402.655	4.699	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4n[nH]cc4c3)CCC2)cc1	1786011918	MACSZLCQHQJKSP-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCCCCl)[C@H]1c1cccnc1	1806721030	QRRPAJCZCRLTNG-GMAHTHKFSA-N	422.013	4.857	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1	1819552446	LLXUQVHECLVUNL-MRXNPFEDSA-N	408.974	4.659	50	20	HJGD	
C[C@@H]1C[C@@]1(C)C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1845087733	DBMRPNXBNFSPDP-DENIHFKCSA-N	411.030	4.986	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1O	60512774	RSNBSPLVBIDFBW-SDQBBNPISA-N	421.678	4.671	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2C)cc1Cl	207871662	BBCIQJNWAIWMOF-WJDWOHSUSA-N	406.873	4.697	50	20	HJGD	
Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	209293939	OXNAWDDHBDDRPX-HGVMIPIXSA-N	419.535	4.578	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1	211454903	LLMUYIMHFLHISQ-BOPFTXTBSA-N	408.864	4.886	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c2c(c1)C[C@@H](C)O2	727744360	DLNILVVPAXMJAT-AZZDOICSSA-N	416.449	4.879	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	727850396	UQXJKHBBZUORQC-QZTJIDSGSA-N	413.304	4.640	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C	728314972	YWKUTEMYMHCPLR-JJBLJPBOSA-N	420.431	4.982	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C(=O)O)c1)C(=O)Nc1ccccc1F	731563509	RKEUHGGLJUHSCG-PDGQHHTCSA-N	416.408	4.649	50	20	HJGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)S(=O)(=O)c1cc(Cl)ccc1Cl	731836039	ZTUPYQZSGOFZHK-OQLLNIDSSA-N	405.262	4.987	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cc(F)c(F)cc2F)cnn1-c1cccc(Cl)c1	734552042	JQCIWTWBIBETNF-UHFFFAOYSA-N	408.811	4.823	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c2nccs2)c1C	734803425	CHTGFBGTCVANLP-UYRXBGFRSA-N	404.539	4.818	50	20	HJGD	
O=C(NNc1cccnn1)c1oc2ccccc2c1CSc1ccc(Cl)cc1	736704275	RRYNGBNWVLFEPO-UHFFFAOYSA-N	410.886	4.925	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)c1C	737599795	OVBZZTCRIDAXDC-MLUCFKELSA-N	419.569	4.747	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCO[C@H](C(F)(F)F)C1	740434365	GQTUPCRTSSXNIC-WDEREUQCSA-N	422.778	4.701	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cn(-c4ccccc4)nc3-c3ccncc3)nc12	741468489	HBWACUKKNPMOST-QGOAFFKASA-N	403.449	4.578	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2CC(F)(F)F)c1C	741988311	KIPBPGANAFQDQJ-SMLKNPDNSA-N	419.447	4.963	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1	742962109	KUFWREXSFRUXPE-WSLJZXJOSA-N	404.510	4.585	50	20	HJGD	
Cc1ccc(NC(=O)[C@@H](NNC(=O)c2cccc3ccccc23)c2ccccc2)cc1	743477324	JIQMXCWCGRYXQG-DEOSSOPVSA-N	409.489	4.763	50	20	HJGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	745806971	QGMYMUJETBKYLG-QFIPXVFZSA-N	400.482	4.685	50	20	HJGD	
Cc1cccc(-n2ncc(C(=O)NNc3ccc(Cl)c(F)c3)c2C(F)(F)F)c1	746700418	SYHUSBYKLHKFAM-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)ccc2Br)cc1C(F)(F)F	746893436	BASPIJFWZNPBMZ-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1	748338539	FVTZCWYFTIVDAI-UHFFFAOYSA-N	406.795	4.881	50	20	HJGD	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNc2cc(C)ccn2)cc1	755844162	RXIQLGQBNOEJRD-UHFFFAOYSA-N	400.482	4.623	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	759325501	LCVPHVKMGRRJGU-UHFFFAOYSA-N	411.820	4.909	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1	767941779	BDKIYJAQSWDQPD-SFHVURJKSA-N	421.310	4.755	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3cn(C(C)C)nc3c2)c1C	768145052	GWOKOOKIOWHVKN-LYUVJKPTSA-N	419.529	4.789	50	20	HJGD	
CC(C)(C)c1nnc2ccc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cn12	769541130	XRQOXAWBLXSKLE-UHFFFAOYSA-N	412.708	4.744	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1cccc(Oc2ccccn2)c1	770041687	DVJUDESZNGJHCY-UHFFFAOYSA-N	404.348	4.921	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1occc1COc1ccccc1	771674776	MUJQOARHYCIQDT-UHFFFAOYSA-N	405.223	4.517	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(\C#N)C(=O)c3cccc(F)c3)cc2)oc1C(=O)O	772179426	PCULABVDNDVRNI-LICLKQGHSA-N	405.381	4.794	50	20	HJGD	
O=C(NCCCOC1CCCC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773144077	WFCMVCDAEGHYGQ-UHFFFAOYSA-N	416.412	4.748	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(Oc2ccc(F)c(F)c2)cc1	775257468	LQUDYUWLMBNKBL-UHFFFAOYSA-N	409.314	4.928	50	20	HJGD	
CCCN1C(=O)CCc2cc(NC(=O)NNc3ccc(C(F)(F)F)cc3)ccc21	775707883	RGVWMSSWZDXVRQ-UHFFFAOYSA-N	406.408	4.543	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc4ccccc4n3)c2C(F)(F)F)cc1	777465858	REDJFSYTUJZYQF-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
Cc1ccc(-c2nnc(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)o2)cc1C	779287903	UJRHDTZQGUZIND-HKWRFOASSA-N	420.519	4.968	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCOc2ccccc2C1	782984192	RRINXCNJLKSQSS-UHFFFAOYSA-N	415.405	4.927	50	20	HJGD	
N#C/C(=C/c1csc(COc2ccccc2)n1)C(=O)NCc1cccc(Cl)c1	786044051	FCUMZRDAURCUDO-YBEGLDIGSA-N	409.898	4.599	50	20	HJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)Nc1nc(-c2ccncc2)cs1	787169985	SLTSCLBCWFSWRN-WXYRWYTRSA-N	417.450	4.605	50	20	HJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(OCC(F)(F)F)cc1	793710068	IDPWUEJIUZCHPW-UHFFFAOYSA-N	405.376	4.602	50	20	HJGD	
O=C(NNC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)Nc1ccccc1	801986127	YLPTYIIIYKNAJH-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c(C)n1-c1ccc(C(C)C)cc1	803433911	WSNISLBASPGBNA-UHFFFAOYSA-N	414.509	4.816	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3ncco3)c2C)c1C	816797447	GVPPWWJAXKATGS-DEFALTHMSA-N	418.497	4.821	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1	817886003	SAWNZKVTERAOAH-UHFFFAOYSA-N	411.502	4.530	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNC(=O)c1ccccc1F)c(C)n2C1CCCCC1	859393153	SXJVFFNPRQHVOB-UHFFFAOYSA-N	423.488	4.677	50	20	HJGD	
CC[C@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)c1ccc(OC)cc1	915911727	GWUUTCHDUJJALG-ZDUSSCGKSA-N	403.697	4.828	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(-c2ccccc2)n1	916140669	FRRDCBAZUMIKTH-LFIBNONCSA-N	419.847	4.802	50	20	HJGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12	920049277	QAYKCLSIKCAHNI-IAGOWNOFSA-N	404.514	4.589	50	20	HJGD	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1ccccc1Cl	1318618530	IMDBMNSNSYEKAC-SFHVURJKSA-N	413.930	4.638	50	20	HJGD	
CCCOc1ccc(-c2nnc(/C(C#N)=C\c3ccc(OCC)cc3)o2)cc1OC	1326067742	GDPQDSZWCFBYEY-AQTBWJFISA-N	405.454	4.997	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CC)N(CC)CC)CCC2)cc1	1786442286	FIXUTQPIHIXLGY-WOJBJXKFSA-N	422.013	4.648	50	20	HJGD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)CCCCCCCCCCCl)C3)on1	1842461467	NCJSSFTXPWYNQP-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2csc(-c3ccccc3Cl)n2)cc1C	727492936	BWTLYCQTKIBRJO-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccccc2-c2ccccc2)c1	728431420	RDILMPRPYXBKCM-UHFFFAOYSA-N	409.283	4.889	50	20	HJGD	
CC[C@@H](CC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1	728970844	ZQDTZUIPYUAUDF-SFHVURJKSA-N	423.538	4.514	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)c2c(c1)C[C@H](C)O2	730436280	HOLCTBPSSSERNX-FYTLYHSASA-N	404.285	4.632	50	20	HJGD	
C#CCOc1cccc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)c1	730702082	XMCPWTGTJONJPP-DHHIBVPOSA-N	420.509	4.536	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)c1C	731172206	WUYDVMNDPHYEQZ-STZFKDTASA-N	420.557	4.897	50	20	HJGD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	737543072	QTLAEVMNSSEYEV-JTQLQIEISA-N	419.230	4.652	50	20	HJGD	
CCc1cc(NNC(=O)c2sccc2-c2ccc(F)cc2)nc(-c2ccccn2)n1	738531139	BOSFNNWSJQZWJQ-UHFFFAOYSA-N	419.485	4.726	50	20	HJGD	
O=C(CCCc1ccccn1)NNc1c(Cl)cc(Br)cc1Cl	742005759	HNXAMGRAVYAJIX-UHFFFAOYSA-N	403.107	4.617	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cc(Cl)ccc1Br	743437046	IAAIRMIWROJYQI-UHFFFAOYSA-N	401.691	4.949	50	20	HJGD	
CC(C)(C)C[C@@H](NC(=O)NNC(=O)c1cccc(Br)c1)c1ccccc1	743686449	CMINBTHDEVDUHT-QGZVFWFLSA-N	418.335	4.571	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccccc3)ns2)c1C	744368275	YQURQIJOPAWWEM-IWEBCOIVSA-N	420.538	4.982	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccc(-n2nccc2C(F)(F)F)c1	749164955	MTHHSEQYCGPTEG-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
CCCCN1CCC(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)CC1	749985645	NVWWQWWXDPTSIL-XLNRJJMWSA-N	410.606	4.898	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1	751620708	VTSKOEGBHJETOG-LDADJPATSA-N	419.868	4.764	50	20	HJGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNc1nc(-c2ccccn2)nc(C)c1C	754233774	LASXONJPTGBTMX-CRAIPNDOSA-N	401.514	4.588	50	20	HJGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	758418751	QZXJPYALWAIZNS-QNKXHIPISA-N	404.249	4.724	50	20	HJGD	
CSc1cc(C(=O)NNC(=S)Nc2cc(C)ccc2F)c(Cl)cc1Cl	760836305	SRMWNAMNFYGJGT-UHFFFAOYSA-N	418.346	4.794	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc(N2CCOCC2)nc1	762605337	LOGBJNMIVWZFMN-UHFFFAOYSA-N	409.380	4.828	50	20	HJGD	
COc1ccsc1C=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	764656787	ARPVZVHYJCPDPN-UHFFFAOYSA-N	422.535	4.689	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1	766250533	YGFAAHFXXLHWSS-UHFFFAOYSA-N	423.835	4.752	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccc(-c2nc3ccccc3s2)s1	766679067	OOWRVAJMMJNERQ-UHFFFAOYSA-N	409.521	4.786	50	20	HJGD	
C[C@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1nc(-c2ccc(Cl)cc2)no1	769925265	KVQBZDSMYNLSHW-RVJKNRRKSA-N	424.726	4.521	50	20	HJGD	
C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NNc2nc3ccccc3s2)C1	769949591	SKMSGQDBQMUPCH-GASCZTMLSA-N	423.542	4.563	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)noc2-c2ccccc2)c1C	770011314	CRHVMZMYJKEKER-YQODDJSKSA-N	418.497	4.821	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccc(Cl)c(Br)c1	771688410	DHHIEWODCSGNFR-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1	772795581	TVPWTULSKUWXRI-AWEZNQCLSA-N	422.285	4.637	50	20	HJGD	
COc1ccc(C)cc1CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772918345	PJQRYGGVXRGEHL-UHFFFAOYSA-N	424.391	4.916	50	20	HJGD	
CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	775778554	ZVRTVHVJRXIDBF-OAHLLOKOSA-N	420.400	4.558	50	20	HJGD	
CCOc1cc(Cl)ccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782821580	OIVMJZOESIQNIN-UHFFFAOYSA-N	409.873	4.547	50	20	HJGD	
C[C@@H](COCC(F)(F)F)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782979433	MVNRXGWHLTXUDL-QMMMGPOBSA-N	423.347	4.590	50	20	HJGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783462069	YOVUIURIOKRHNN-SDDRHHMPSA-N	419.437	4.975	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ncccc3C)c3cnn(C(C)C)c3n2)s1	791216098	GLWSJCDXQOTMAH-UHFFFAOYSA-N	406.515	4.509	50	20	HJGD	
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	797841810	QLEPNZIJKFNXQR-RISCZKNCSA-N	407.426	4.604	50	20	HJGD	
COc1ccc(C(=O)NN=C2CCC[C@H](c3ncccc3C)C2)cc1Br	799109543	HNDHDOVBKSDHGW-AWEZNQCLSA-N	416.319	4.605	50	20	HJGD	
O=C(NNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)c1cc2ccccc2o1	799675467	JXLNXUXVWPHMAZ-UHFFFAOYSA-N	414.248	4.810	50	20	HJGD	
CSC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	815754791	YPMMFKZFXDJECP-NSHDSACASA-N	418.453	4.884	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)sc2ccc(C#N)cc12	815854793	QRGOHJVMZSSLMD-UHFFFAOYSA-N	400.385	4.729	50	20	HJGD	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)OC2CCCCC2)cc1OC	834746967	ADMIFYVXURNKHJ-ZROIWOOFSA-N	408.292	4.639	50	20	HJGD	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1	915986186	ZAKGOFGIBGEVQO-CXUHLZMHSA-N	421.478	4.554	50	20	HJGD	
COc1cc(C(=O)NN=Cc2ccccc2OCc2ccccc2)ccc1OC(C)C	916352361	UBCBJAMADLYNNN-UHFFFAOYSA-N	418.493	4.825	50	20	HJGD	
Cc1cc(OC(C)C)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	917781936	SEIMIPXBGUXNLI-RQLGBQGVSA-N	421.541	4.925	50	20	HJGD	
O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918559247	LRCMRRYVPJJGRZ-HNNXBMFYSA-N	420.796	4.832	50	20	HJGD	
O=C(/C=C/c1ccsc1)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1786943916	BZLGYKAHAAJKEB-FARCUNLSSA-N	409.338	4.699	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cc2ccsc2[nH]1	1788588957	QPAGBCDZGWGBLV-OAHLLOKOSA-N	405.882	4.512	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C)C2	1800072874	PKVGHLGVTNXOMS-QVHKTLOISA-N	417.764	4.571	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820906711	LLIWKTIHVCXUFT-XBOKISCZSA-N	406.958	4.556	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccccc3)cc1)C2	1841671636	BICXPKGHSGKBMU-OAQYLSRUSA-N	410.945	4.578	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Oc1cccnc1	52147625	MQRBVANZFFUERN-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
C[C@@H](c1ccccc1)n1cnnc1SCC(=O)/C(C#N)=C1\Nc2ccccc2S1	117464384	CYWLSAXKCLODPF-ZDHNHOGNSA-N	419.535	4.502	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)c1cccc2ccccc12)c1ccc(C(F)(F)F)cc1	303846990	JJYKNNBHKUPZIL-AWEZNQCLSA-N	400.400	4.813	50	20	HJGD	
CCOc1ccc(C(=O)NN=Cc2ccc(Cl)c(C(F)(F)F)c2)cc1OC	727256525	LAXCPWJXRFSGNJ-UHFFFAOYSA-N	400.784	4.530	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(OC(C)C)CC2)c(C)n1-c1ccccc1F	730510214	WNCUCQPJNIDJNY-XSFVSMFZSA-N	409.505	4.556	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OC[C@@H]2CCc3ccccc32)c(-c2ccccc2)n1	730927077	QLCNVMLVJTVJPQ-FLVGQNKLSA-N	422.488	4.644	50	20	HJGD	
Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)CCCC[C@@H]1CCSS1	731626133	HRWUMFNYNCXOQG-NVXWUHKLSA-N	410.630	4.549	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N(C)c2ccccc2)ccc1OC(=O)c1cccs1	732803980	BUJGJTDPNGDQFS-LGMDPLHJSA-N	418.474	4.546	50	20	HJGD	
O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NNc1cc(F)c(F)cc1F	734552310	PISNBWILHWPAPR-UHFFFAOYSA-N	419.350	4.808	50	20	HJGD	
Cc1csc(Sc2ccc(C(=O)NNc3c(F)cccc3F)cc2[N+](=O)[O-])n1	735694892	ZOTYQLGJUKROHS-UHFFFAOYSA-N	422.438	4.546	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	743310708	CXWJGHNLZCNQTD-WOJBJXKFSA-N	413.304	4.640	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c(C)c1	743765444	QMRUTOYSRVRKPD-UHFFFAOYSA-N	402.926	4.942	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	746701009	FGYKVPSZRYGVNO-UHFFFAOYSA-N	414.824	4.756	50	20	HJGD	
COc1ccc2sc(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)c(C)c2c1	746895443	VEVGTVVDSADCRB-UHFFFAOYSA-N	405.401	4.866	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(F)cc2Br)cc1[N+](=O)[O-]	748073958	JFPLIKZGXBTXAH-UHFFFAOYSA-N	410.243	4.551	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C	748563377	UOEMJMDOMQXDNF-UHFFFAOYSA-N	403.461	4.884	50	20	HJGD	
CCN(Cc1c(F)cccc1F)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	751215040	GUMLNSZGBYZVDW-ZVCOJXFSSA-N	415.484	4.546	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(-c2ccc(F)cc2Cl)nn1	755572190	KWTYBFLUEYAKKY-KPKJPENVSA-N	416.243	4.567	50	20	HJGD	
O=C(NN=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(F)cc1Br	755653554	BTKMURHIWVTWHN-UHFFFAOYSA-N	407.136	4.510	50	20	HJGD	
Cc1c(CSC(C)C)cccc1NC(=O)NNC(=O)c1cccc2ncccc12	756756944	ARHBSGKCSGFXRM-UHFFFAOYSA-N	408.527	4.651	50	20	HJGD	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	757606256	ZOQVQVZDSUWIOT-INIZCTEOSA-N	416.506	4.878	50	20	HJGD	
O=C(NNC(=O)c1ccc(Br)s1)Nc1cc(C(F)F)ccc1Cl	757735641	WEFBFTIKVXPOOF-UHFFFAOYSA-N	424.654	4.568	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cn(CCCC#N)c4ccccc34)c(C)cc2c1	768187453	NWJQBLBVQUKQQB-UHFFFAOYSA-N	413.481	4.567	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H](CCO)c1ccco1	769222413	LZYKJBGMCIFCAD-HZMBPMFUSA-N	408.829	4.744	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)c1cccc2c1OCCO2	771528894	CHIUZEWPWPYATA-KAMYIIQDSA-N	423.831	4.534	50	20	HJGD	
COC(=O)c1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	777592558	ZRHACYHXQSSVND-UHFFFAOYSA-N	417.377	4.931	50	20	HJGD	
N#Cc1c(F)cccc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	777696010	SLEZDYXITUOTGY-UHFFFAOYSA-N	403.038	4.524	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)N(C1CCCC1)C1CC1	779545875	HGGAOHFWGLYXLZ-KRWDZBQOSA-N	420.884	4.778	50	20	HJGD	
CC(C)(C#N)CCOC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	781869610	SDIULKXKIOTSQF-SFQUDFHCSA-N	421.888	4.507	50	20	HJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	782179362	FVYIDYTVEDTURD-JXMROGBWSA-N	416.871	4.979	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@H](c3cccc(C)c3)C2)c1C	784521174	XGKDWCVPZMIBGQ-GIFRWZEPSA-N	405.542	4.544	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1	793018246	PZSCZEUEGMETCR-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cccc(Cl)c1	801505994	RRKZSFDPCDYVTD-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1sc(-c2ccco2)nc1-c1ccccc1	805471350	HHZIKLYKSMPMGA-UHFFFAOYSA-N	417.494	4.885	50	20	HJGD	
ClCCCOc1ccc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1	811506682	CNZXPTJGUYUCDE-RTBURBONSA-N	405.926	4.656	50	20	HJGD	
C[C@](Cc1nc2ccccc2s1)(C(=O)NNc1cccc(Cl)n1)c1ccccc1	817008585	YKAPFUCNSIMJHE-JOCHJYFZSA-N	422.941	4.988	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(-n2cccn2)c1	817014875	CBVNCUVPSVRFFU-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(OC)c1	915844086	KLZJDRVQIQTUJF-QPEQYQDCSA-N	422.815	4.813	50	20	HJGD	
N#C/C(=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)Nc1ccc(F)cc1	915982705	YHICINIUOLXSGU-KAMYIIQDSA-N	400.335	4.576	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccncc3)cc2)n1	915985522	MUHRUGUTHVXHEG-PDGQHHTCSA-N	418.522	4.960	50	20	HJGD	
CCCc1ccc([C@@H](NC(=O)NNC(=O)c2cc(C)nc3ccccc23)C(C)C)cc1	916195311	SHPMPHVZUDHBPV-QHCPKHFHSA-N	418.541	4.837	50	20	HJGD	
Cc1ccccc1C=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	916287323	IGZOEYSNNQSSKM-UHFFFAOYSA-N	400.507	4.928	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)c2ccccc2F)cc1	916541905	NDNUBQUJOBQINB-UHFFFAOYSA-N	412.468	4.810	50	20	HJGD	
C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918240248	PMYCNRQTBHFFLS-GLKRBJQHSA-N	408.873	4.539	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc(C#N)n1C	918677667	XHECTUPXWDCGCU-LICLKQGHSA-N	400.413	4.682	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccc(F)cc1	1116553576	ZOVKTJIUNBNDDZ-JDSOUAAVSA-N	409.505	4.598	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4[nH]ncc34)CCC2)cc1	1786011836	CMSGQJJAKKPJBB-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3)CCC2)cc1	1791362049	JJBJDGFIXJZWBU-GOSISDBHSA-N	415.331	4.608	50	20	HJGD	
Cn1ccc(C(=O)N2CC3(CCCN3C(=O)CCCCCCCCCCCl)C2)c1	1845124384	IGTNYNTVFHLUJQ-UHFFFAOYSA-N	422.013	4.592	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1Cl)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	21285475	VCGKSHCZEBZXEO-UHFFFAOYSA-N	408.163	4.606	50	20	HJGD	
C[C@H](Sc1ccccc1Br)C(=O)C(C#N)=C1Nc2ccccc2N1	104873302	HXAIBVMYAHKHCY-NSHDSACASA-N	400.301	4.772	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccco3)n[nH]2)c(C)n1C1CCCCC1	725882436	SUXUCELILRTWNB-ATVHPVEESA-N	404.474	4.534	50	20	HJGD	
CCC[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	726851978	YZTJKSCEMKMOOI-INIZCTEOSA-N	413.827	4.844	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cnn(-c2ccc(F)cc2)c1	728176048	LTBLTIBUUKZYDE-OVCLIPMQSA-N	410.836	4.528	50	20	HJGD	
CCCCCC/C(C=NNC(=O)C1CCN(c2ncccn2)CC1)=C/c1ccccc1	728783211	DNWSEICTSZUAQO-CVPUJMGMSA-N	419.573	4.849	50	20	HJGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)S[C@@H](c1ccccc1)c1ccc(Cl)cc1	734980035	GSOGQJZAAZEOPI-QRWLVFNGSA-N	404.963	4.745	50	20	HJGD	
CCc1nc([C@@H]2CCCCN2C(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)no1	737624956	MZQLLNGZRBFACS-UKQGIEBLSA-N	423.561	4.757	50	20	HJGD	
CN(C(=O)CCCC[C@@H]1CCSS1)[C@H](c1cccc(F)c1)c1cnn(C)c1	737829887	DKVFIADZUDXVFY-UYAOXDASSA-N	407.580	4.821	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1cc(-c2ccco2)on1	742133217	NVBOVKKQOQCWPS-UHFFFAOYSA-N	417.046	4.761	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cc(Cl)ccc1Br	743433981	IFGLOLCHLDGKCU-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1	744569782	IXNAFXDBWMNZPL-GZQZNAIASA-N	421.428	4.794	50	20	HJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1cccc(Br)c1	748020913	TUFKPRBCWLAATO-UHFFFAOYSA-N	415.209	4.790	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cc(COc2c(Cl)cccc2Cl)on1	748175961	WLKYTISGYAPCPX-UHFFFAOYSA-N	414.195	4.596	50	20	HJGD	
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1ccc(F)cc1C	748549388	WVQUWTKLGHVVBF-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3ccc(OC(F)F)cc3)cs2)cc1	748654385	LZASZEGFMMWVIP-UHFFFAOYSA-N	419.453	4.957	50	20	HJGD	
Cc1ccc(-c2noc(CCC(=O)NNc3cc(Cl)ccc3Cl)n2)cc1F	752811194	XQBLJBUJOOPYKN-UHFFFAOYSA-N	409.248	4.567	50	20	HJGD	
COCCN1CCC(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752971706	CCFHSPUKNQKNJW-UHFFFAOYSA-N	403.417	4.576	50	20	HJGD	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1	754147608	BCBOZLSYLQDFGQ-UHFFFAOYSA-N	415.362	4.725	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3cccc(Cl)c3Cl)nn2)c(C)c1	754683482	BWBLBWOLVWLLRH-ZROIWOOFSA-N	412.280	4.737	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)Nc1ccc(C2CC2)cc1	757880827	AVEAROUNRSEITR-UHFFFAOYSA-N	423.476	4.641	50	20	HJGD	
CCC(C)(C)CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	759363160	ITNRJFKNRHXHIB-ATVHPVEESA-N	409.921	4.577	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c(Br)c1O	761011104	HTPUJBKCZRXEEW-UXBLZVDNSA-N	410.626	4.746	50	20	HJGD	
COc1ccc2oc(/C=C(/C#N)c3nc(O)c4cc(Br)ccc4n3)cc2c1	763281555	HPJFFZSCUVIFRI-WQLSENKSSA-N	422.238	4.917	50	20	HJGD	
C[C@@H](CBr)COC(=O)c1ccccc1NC(=O)OCc1ccccc1	770414914	KUFTXRZZGKWJTC-AWEZNQCLSA-N	406.276	4.623	50	20	HJGD	
Cc1nc(NCC(=O)NNc2cccc(Cl)c2)c2cc(-c3ccccc3)sc2n1	770773595	RJEXKWJQEJMJEP-UHFFFAOYSA-N	423.929	4.875	50	20	HJGD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772956955	ZCMMGKCQAQEDGC-NSHDSACASA-N	424.391	4.736	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cc(Br)ccc1Br	773627935	ZXZGTMCEIKYHKK-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2cnc3ccccc3n2)cc1OCC	774783084	IEPJVSGIIFGHMU-UHFFFAOYSA-N	414.893	4.618	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(-n2nccc2C(F)(F)F)c1	777476598	NSJMQFBAPCBCKL-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
CCOc1cc(Cl)ccc1C(=O)NNc1c(F)cc(F)cc1Br	778799794	DWJIKCDAWNCGMF-UHFFFAOYSA-N	405.626	4.536	50	20	HJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3ccccc3OC(F)(F)F)ccc2c1	779200770	IAOOEKVQDHMEQG-ZDUSSCGKSA-N	404.388	4.994	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(Br)cc2Cl)cnn1C1CCCCC1	781348551	KFUNHAHMZPJMEU-UHFFFAOYSA-N	411.731	4.870	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cnc12	783697735	UELTVDSNLXWRSA-GHXNOFRVSA-N	415.678	4.604	50	20	HJGD	
C#CCOc1ccc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	784614177	GBZLERNUGUOYNK-UHFFFAOYSA-N	420.359	4.933	50	20	HJGD	
CC(C)Sc1cccc(Cl)c1C=NNC(=O)CCCNC(=O)OC(C)(C)C	786036740	MVDUYXVDAWAGCX-UHFFFAOYSA-N	413.971	4.596	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNc1ccc3c(=O)[nH]ccc3c1)oc1ccccc12	789705541	KCGBEAAOABKABY-UHFFFAOYSA-N	414.421	4.585	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCn3c(nnc3C(F)F)C2)cc1	792872556	OXXHIRLUZNMZGM-UHFFFAOYSA-N	408.569	4.753	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1-n1cncn1)C(=O)c1c[nH]c2cc(Cl)ccc12	794935728	ANDMYGVJUXUOLD-WLRTZDKTSA-N	408.248	4.845	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1C	798017311	LSOPDGUSHMIMGY-NENOGKKRSA-N	411.933	4.545	50	20	HJGD	
Cc1nn(C(C)C)cc1C=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	799105795	KLONFUSLLYWPHQ-UHFFFAOYSA-N	410.905	4.769	50	20	HJGD	
CC(C)(C(=O)NNc1ccccn1)c1csc(-c2c(Cl)cccc2Cl)n1	803040798	YSRBHQGSHHDYJH-UHFFFAOYSA-N	407.326	4.933	50	20	HJGD	
O=P(CCNC1[C@H]2CC[C@H]1Cc1ccccc1C2)(c1ccccc1)c1ccccc1	805764443	GRAQIMVMVRWCRT-ZEQRLZLVSA-N	415.517	4.784	50	20	HJGD	
COc1cc(C)c(Br)cc1C(=O)NNc1ccnc2cc(Cl)ccc12	806358687	VFLYDUGPLDUPSA-UHFFFAOYSA-N	420.694	4.725	50	20	HJGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc(F)cc1	812244602	LEDKAIWTIMLLCU-LICLKQGHSA-N	405.385	4.781	50	20	HJGD	
Cc1c(NNC(=O)c2sc3ccc(Br)cc3c2C)cccc1[N+](=O)[O-]	815855297	MIQNDYTUOACAOK-UHFFFAOYSA-N	420.288	4.946	50	20	HJGD	
CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCO1	815891437	KTTWLCHNODHBFX-CQSZACIVSA-N	416.412	4.556	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1	857545550	GEKGYEVIPFYASC-NSHDSACASA-N	400.832	4.909	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1C	912912858	JMWUCTZMUXEOLM-CCRNYGKSSA-N	401.457	4.901	50	20	HJGD	
COc1ccc(CN(C)C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	914845383	ODIYIWYHJRCCGN-HYARGMPZSA-N	422.573	4.767	50	20	HJGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1	914866566	MTFBTPPXSVHKEZ-UHFFFAOYSA-N	411.339	4.833	50	20	HJGD	
COc1ccc2cc(/C=C(/C#N)C(=O)Nc3nc4ccccc4nc3Cl)ccc2c1	915852440	MUKCJXDTTAXNFA-BOPFTXTBSA-N	414.852	4.991	50	20	HJGD	
Cn1ccnc1[C@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	916220353	FOCDZMXHIHFFKJ-OAHLLOKOSA-N	424.719	4.796	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cs1	917562295	ZPLOFBDFXCGEPX-LFIBNONCSA-N	420.469	4.821	50	20	HJGD	
CC(C)Oc1cccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)c1	921260466	ACQYHUINEJTUEH-LZYBPNLTSA-N	421.478	4.554	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1	1116758201	QMCJHWZUAYIHSJ-UHFFFAOYSA-N	420.476	4.603	50	20	HJGD	
CCc1cc(NNC(=O)c2ccc3c(c2)oc2ccccc23)nc(-c2ccccn2)n1	1322965508	QSGKXFYQMFEWKV-UHFFFAOYSA-N	409.449	4.757	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3ccc4c(c3)OCCO4)o2)c(C)n1CC(C)C	1325751243	KYBSHIXCQMPAJR-GRSHGNNSSA-N	404.470	4.646	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(COc3ccccc3C#N)o2)c(C)n1CC(C)C	1327876724	ZXRFAUWXZKYPDE-KEBDBYFISA-N	401.470	4.659	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CC2c3ccccc3Oc3ccccc32)c1	1348926229	SNLXHHPCINDMOC-UHFFFAOYSA-N	403.507	4.641	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCc4ccoc4C3)cc2)CCC1	1786217809	JANLCZOTQQMRMN-VQIMIIECSA-N	414.933	4.536	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccnc3)CCC2)cc1	1786442206	AVKJLFQUMJSOKQ-ACGJQVIASA-N	411.933	4.636	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3coc(C(C)C)n3)cc2)CCC1	1787028069	HIHLUBIZPXPAKS-MRXNPFEDSA-N	403.910	4.563	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1ccc(Cl)cc1	1791607246	XKCYPEJEMGPNPV-UHFFFAOYSA-N	411.716	4.891	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)c(F)c1F	1792114616	YRCRLXYCGXFXMR-KRWDZBQOSA-N	410.823	4.555	50	20	HJGD	
C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1)c1cccs1	1814700252	GSLVPDHPGJSRQL-UKRRQHHQSA-N	422.982	4.532	50	20	HJGD	
Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)oc2ccccc12	1828125723	WKVFVXACROLBSI-PXNSSMCTSA-N	420.912	4.509	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1	1845735392	BMDDBXUUSJNSLH-LJQANCHMSA-N	424.928	4.811	50	20	HJGD	
Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1ccc(CCCCl)cc1	111117806	SQCMJPVLWOQMGU-UHFFFAOYSA-N	421.975	4.544	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cs1	211544574	SCXVQVSALFTEEA-PDGQHHTCSA-N	416.506	4.990	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCc3ccc(O)cc3C2)c(C)n1C1CCCCC1	725884374	LNBMALGXAQDBEE-FYJGNVAPSA-N	403.526	4.808	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)[C@@H](C)CC)ccc1OCC(=O)Nc1ccccc1	726429251	HMMVFYHPHVQQRZ-AMRJIULGSA-N	406.482	4.625	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1)c1ccccc1	732447564	GGSXABVRCVQMEB-AUSIDOKSSA-N	415.537	4.731	50	20	HJGD	
CCn1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cn1	732529299	UUCOHPQYOHDZCV-WLRTZDKTSA-N	418.309	4.879	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2occc2Br)c(C)n1CC(F)(F)F	735303926	CEQSYZFXTMAFRY-IZZDOVSWSA-N	401.182	4.813	50	20	HJGD	
CC[C@H](CC(=O)NNC(=S)Nc1cccc(Br)c1)c1ccc(C)cc1	738556525	VSFWNZRGJGBHCF-CQSZACIVSA-N	420.376	4.659	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1Cl	741472676	WFVCKNIDZQREFP-BOPFTXTBSA-N	406.873	4.697	50	20	HJGD	
COc1cccc(-c2noc([C@@H](C)NC(=O)CCCC[C@@H]3CCSS3)n2)c1	742925612	MGZRDUUFEKHSHZ-CZUORRHYSA-N	407.561	4.637	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)c1ccc(Cl)cc1F	747643999	UUNZPVUKKIOFRQ-UHFFFAOYSA-N	409.223	4.530	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cccc(Oc2nccs2)c1	748073775	YMMWVFCVANOHMG-UHFFFAOYSA-N	408.252	4.594	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1	748744555	SNXXNLBRMUCYML-UHFFFAOYSA-N	422.298	4.638	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(Sc3ccccc3Cl)nn2)cc1Cl	753315033	FWJPCQNZUKQXBU-UHFFFAOYSA-N	416.293	4.563	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	754425195	PUSDWMPDOKBELQ-URKNILKWSA-N	405.361	4.688	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cccc(OCc2cccs2)c1	754469489	BNFXEJOSCJPZQF-UHFFFAOYSA-N	402.479	4.541	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(c2cn[nH]c2)CC1	759077342	WUXWOTNJHXZECH-UHFFFAOYSA-N	417.425	4.635	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3cc(F)c(F)c(F)c3)cc2)cc1	760659419	VKYDLRNMOPPCAF-UHFFFAOYSA-N	400.356	4.856	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)c1ccc2ccccc2n1	762441355	LGDIBLLGGITXAT-UWJYYQICSA-N	422.529	4.520	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(CCC(=O)NNc2cccc(C(F)(F)F)c2)CC1	765875998	WSXYJOQUSSMVNR-UHFFFAOYSA-N	415.456	4.576	50	20	HJGD	
O=C(NC[C@@H](O)c1ccc(F)cc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	770128136	GEXLRVJYJUXSTJ-HIFRSBDPSA-N	422.831	4.900	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NNc1c(C)cccc1F	771692366	AJCDEDYGLHIZAZ-UHFFFAOYSA-N	401.438	4.652	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCSC(C)(C)C)c(C)n1C[C@H]1CCCO1	775295123	ZBWMORJVGJNYSN-UMSHPIDHSA-N	404.576	4.656	50	20	HJGD	
COCCOc1cc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)ccn1	776783152	YBCWCXHUZVVRQM-INIZCTEOSA-N	420.840	4.578	50	20	HJGD	
Cc1nc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)c(-c2ccccc2)s1	778738532	FSEQHCCHQBAKFG-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3cc(Cl)cs3)cc2)n1	782115069	XJUAJWJODDSKEB-UHFFFAOYSA-N	416.959	4.865	50	20	HJGD	
Cc1cc(Br)c2oc(C(=O)NNc3nc(C(F)(F)F)cs3)cc2c1	782850799	DPQSONUVBIYBMS-UHFFFAOYSA-N	420.210	4.736	50	20	HJGD	
COC(=O)c1ccsc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782930117	SKEMGRXBLBJUIA-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cc1OC	783688355	WCQKRUPQEMJWSV-BJMVGYQFSA-N	412.692	4.971	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)c(-c2ccccc2)n1	788356871	XMOJGQJGFYSRDK-LGMDPLHJSA-N	418.403	4.855	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)c1ccc2[nH]ccc2c1	789671990	OQNIZKHQYGGLHR-CTPANLQCSA-N	404.514	4.754	50	20	HJGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNc1ccc(F)cc1Br	793709947	YQNNVILDNLVERB-UHFFFAOYSA-N	404.239	4.617	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[C@H]1CCCOC1	794881828	DRBMIDWXPCASAA-BMANGOCTSA-N	412.829	4.943	50	20	HJGD	
O=C(NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc2c(c1)OCCO2	799476605	ORSYTMVZQSGYHV-AWEZNQCLSA-N	404.388	4.530	50	20	HJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CCCC12CCOCC2	799872384	QYGDCODCDKZOFV-UHFFFAOYSA-N	403.935	4.717	50	20	HJGD	
O=C(Cc1ccc(Cl)s1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804209731	LIZHNNXXJWDWIQ-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1OC	812244384	ATMUFWUSTXHZGC-QPEQYQDCSA-N	418.247	4.614	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C)c1ccc(C)cc1	813544152	MOKJAOZKXZXECD-GOSISDBHSA-N	408.527	4.522	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2sc(Sc3ccccc3)nc2Cl)cc1	814712200	MSJOFJPKXXMCLL-UHFFFAOYSA-N	416.959	4.818	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2SCc2ccco2)c2ccccc2n1	849208108	ZXJRTFSERBJAPK-UHFFFAOYSA-N	417.490	4.503	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2C(F)(F)F)c1C	914475032	XTIIIHBNKDIDKZ-SMLKNPDNSA-N	419.447	4.555	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3cc(C)n(C4CC4)c3C)cc12	916273261	XPSRJSLCVBHDCS-UHFFFAOYSA-N	417.538	4.913	50	20	HJGD	
O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccc(Cl)cc2)cc1	916306973	JZNFLFIPOYXOSD-UHFFFAOYSA-N	409.829	4.591	50	20	HJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=Cc3ccccc3-c3ccccc3)sc2n1	917541206	SSHYTQSLQLWSKS-UHFFFAOYSA-N	400.507	4.926	50	20	HJGD	
Cc1ccc([C@H](C)N(C)C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c(C)c1	918002439	JTDUVIBHYKCREZ-SFHVURJKSA-N	421.497	4.523	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@@H](c1ccccc1)c1ccc(F)cc1	918013523	JDLYPBTYZKMWHL-QHCPKHFHSA-N	413.452	4.713	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccco2)CC(F)(F)F)c1C	918555175	BVTRBWLXZXISOE-WQRHYEAKSA-N	407.436	4.996	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCCCn3cccc3)cc2)CCC1	1789603760	BABITKVLNLUIFF-FQEVSTJZSA-N	415.965	4.810	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3F)CCC2)cc1	1790490101	UPZKSMFBJCOLDV-KRWDZBQOSA-N	406.860	4.730	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(F)(F)c3ccco3)cc2)CCC1	1791077198	VVWBNJBSGZEPIG-MRXNPFEDSA-N	424.875	4.913	50	20	HJGD	
CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Br)cc3)CCC2)CC1	1791434990	ZAXFTGSIFFFNEA-HZPDHXFCSA-N	419.363	4.650	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnco1	1793803090	SPFTYZDZJLCPBD-REPLKXPHSA-N	423.985	4.676	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1820858759	STKRPYYNRUSXDS-KBXJCHCYSA-N	406.958	4.556	50	20	HJGD	
C=C1CC(C(=O)N2CCCC23CN(C(=O)CCCCCCCCCCCl)C3)C1	1841019414	PCQOXLOTDARMHN-UHFFFAOYSA-N	409.014	4.906	50	20	HJGD	
Cc1cc(C)n(-c2ccc(CCNC(=O)CCCC[C@@H]3CCSS3)cc2)n1	46856929	UUURGVGFJKASDO-HXUWFJFHSA-N	403.617	4.862	50	20	HJGD	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1OC	303455141	MARUZNWVOAEGAI-GDNBJRDFSA-N	421.335	4.554	50	20	HJGD	
CCN(Cc1ccccc1Cl)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727846593	GHCJXZMCHLNPRM-UHFFFAOYSA-N	400.693	4.523	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1C	728498630	ZIFGHRGWQJLANI-MOSHPQCFSA-N	404.514	4.726	50	20	HJGD	
Cc1ccc(CCCCC(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1	728827305	OKSCVIHATFDJJN-UHFFFAOYSA-N	423.738	4.585	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1ccccc1	731937722	KZYPTBRMTWZFRH-RQNDZEIBSA-N	421.298	4.624	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)ccc1OCc1ccccc1	734304743	VDCSBKGFILJMPD-UCQKPKSFSA-N	412.489	4.806	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)cc1	737875860	UMKICRXQQCLOKY-WJDWOHSUSA-N	404.388	4.881	50	20	HJGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(Br)cc2Cl)c1C	743428021	IJTBBXNANKCWPZ-ZDUSSCGKSA-N	409.711	4.637	50	20	HJGD	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NNc1ccc(Cl)nc1	743818008	KCUQXYIXOGSVDP-UHFFFAOYSA-N	424.719	4.530	50	20	HJGD	
C[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1	745090988	NVNCDSPLIINLNO-GMYFBSLISA-N	421.932	4.673	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1F)c1cc(F)c(Cl)cc1Cl	747492158	JTBYLVPEBBLZMQ-ZETCQYMHSA-N	422.646	4.630	50	20	HJGD	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)NNc3cccc([N+](=O)[O-])c3)o2)cc1	748004167	ZGHDTWPMUDTJCO-UHFFFAOYSA-N	414.421	4.982	50	20	HJGD	
O=C(CCc1nc2cc(Cl)ccc2s1)NNc1cccc(Br)c1	748019407	FSCBPJHREKWEQW-UHFFFAOYSA-N	410.724	4.788	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3ccc(Br)cc3C)s2)cc1	748751475	WFUHPXANBJEHCX-UHFFFAOYSA-N	418.316	4.647	50	20	HJGD	
CC[C@@H](C(=O)NNc1ccc(-c2ccccc2)nn1)c1cccc(C(F)(F)F)c1	754469423	AFQPQTGBVSWGEV-QGZVFWFLSA-N	400.404	4.799	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(-c2nc3ccccc3s2)o1	754474019	ZMIHUDOJXXZAIA-UHFFFAOYSA-N	413.462	4.770	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	755947401	KXERASNJMRQPCC-FQEVSTJZSA-N	418.884	4.770	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	756629976	BRRXCSIMQGWMEW-UONOGXRCSA-N	405.564	4.872	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)Nc1ccc(COCc2ccccc2)cc1	756732085	GVVFMMCQCQRBDG-UHFFFAOYSA-N	409.873	4.523	50	20	HJGD	
CS[C@H](C)CC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	756854816	GQHFVAPOVZJBSA-CYBMUJFWSA-N	408.976	4.535	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCC[C@H]2OCC[C@@H]12	761617619	KUZZHPUYAAYYKR-MDHDOXDCSA-N	408.873	4.985	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc3ccccc3c2)c(OCc2cccnc2)c1	766451364	VUSPOJYXNNQWOB-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccccc2C(C)(C)C#N)c1C	767975850	JNEUHCJJFKUAFR-WQFTWXBESA-N	419.525	4.764	50	20	HJGD	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)NNc1ccc(Cl)nn1	769982085	DKYVHIGNDFFMBK-UHFFFAOYSA-N	417.828	4.527	50	20	HJGD	
Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NNc1c(F)cccc1Cl	770808999	XBCQJHMAUYHVPY-UHFFFAOYSA-N	409.914	4.511	50	20	HJGD	
COc1cc(/C(C#N)=C\c2ccc(OCc3occc3C(=O)O)cc2)ccc1[N+](=O)[O-]	774560611	MMLHRUKMZABKIF-YBEGLDIGSA-N	420.377	4.538	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	775257553	LRIQHYIDPBCJNB-UHFFFAOYSA-N	417.347	4.509	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1	777477739	IYRJELLPAOVNQV-UHFFFAOYSA-N	401.470	4.648	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)ccc1OCc1cscn1	780806128	YCPYILJBIRONAV-UHFFFAOYSA-N	411.527	4.785	50	20	HJGD	
CCOc1c(Br)cc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1OC	780806132	YJXZIGZYXYOSRT-UHFFFAOYSA-N	421.335	4.911	50	20	HJGD	
CCN1CCc2nc3ccccc3c(C(=O)NNc3ccc(C(C)(C)C)cc3)c2C1	781041661	PHQBEQZHQHBTKN-UHFFFAOYSA-N	402.542	4.667	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(Cl)cn2)c1C	781603831	XTHJNSIAUJSIAQ-FMFNLVPGSA-N	401.894	4.572	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)c1ccc(-c2cccc(C#N)c2)cc1	782523737	KQIODYPSPZSXPX-INIZCTEOSA-N	424.460	4.677	50	20	HJGD	
Cc1ccc(-c2ncccc2NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)s1	782700677	ZJPMKWIDHCKLPW-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
CCCc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)cnn1-c1ccc(F)cc1	782754245	XMRNSLUGRPJJMP-UHFFFAOYSA-N	424.373	4.879	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1cccc(CSC2CCCC2)c1	783339384	CWTLAJZIUOMWHE-UHFFFAOYSA-N	403.935	4.598	50	20	HJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2F)o1)C(=O)N1CCn2c1nc1ccccc12	790100830	SNOMRJYJBFRLLH-OWBHPGMISA-N	416.387	4.528	50	20	HJGD	
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792548544	ROGOBHSDRRIOKN-UHFFFAOYSA-N	420.359	4.969	50	20	HJGD	
COc1ccc(-c2ocnc2C(=O)NNc2ccc(Br)cc2Cl)cc1	809666132	OOUIFNNPZGEKJO-UHFFFAOYSA-N	422.666	4.523	50	20	HJGD	
O=S(=O)(NC[C@H](CO)C1CCCCC1)c1cccc(S(F)(F)(F)(F)F)c1	815075223	SFYZADILWQNMLC-CYBMUJFWSA-N	423.469	4.811	50	20	HJGD	
COc1ccc(NNC(=O)c2cn(CCCC#N)c3ccccc23)c(C(F)(F)F)c1	816704315	NQJCPTUSBIGXBE-UHFFFAOYSA-N	416.403	4.729	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c1	857500769	YONWCFVVVLXEGY-LJQANCHMSA-N	422.356	4.898	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3ccccc3)CC2)c1C	881442303	DIOJTUNWYCUXQQ-YPFLROGLSA-N	405.542	4.626	50	20	HJGD	
C[C@H](CCc1ccccc1)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	914458719	KDFCOUWJVOREEA-AKWGVZKHSA-N	423.520	4.508	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3C)cc2/C=C(/C#N)C(N)=C(C#N)C#N)cc1	916137976	ACSMZJYFYKIDJB-NDENLUEZSA-N	404.477	4.577	50	20	HJGD	
Cc1ccc([C@H](NC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)C2CC2)cc1	916234896	UYDGGGZPTUECHW-QFIPXVFZSA-N	409.530	4.515	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1	916237268	KOGXMOYDDARWEG-FRXJQHJJSA-N	403.954	4.584	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3ccc(O)cc3)s2)cc1Cl	916541425	VDAKGQSHRIEOLV-UHFFFAOYSA-N	421.309	4.971	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	918100499	YZJJXRMBYOJABD-INIZCTEOSA-N	410.301	4.822	50	20	HJGD	
COc1cc(C(=O)NN=Cc2csc(C(C)(C)C)n2)ccc1OCCC(C)C	920366146	IKKWLILCKBAYRQ-UHFFFAOYSA-N	403.548	4.638	50	20	HJGD	
O=C(NNc1ncccn1)c1oc2ccccc2c1CSc1ccccc1Cl	921166629	KCDPUUVNIXGUHJ-UHFFFAOYSA-N	410.886	4.925	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc2ccccc2cc1NC(=O)C1CC1	932499320	CNWKCGQPDSLPKJ-UHFFFAOYSA-N	424.298	4.708	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1	1786070906	YMIWIGQRMUSRLJ-CYBMUJFWSA-N	421.360	4.527	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4c[nH]nc34)cc2)CCC1	1788450979	GYGYWJWAPQCODX-LJQANCHMSA-N	424.932	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccnc4ccccc34)cc2)CCC1	1788891050	MTFXJINVXXSLSN-FQEVSTJZSA-N	421.928	5.000	50	20	HJGD	
C[C@@H](C(=O)NC1(c2ccc(NC(=O)CO[Si](C)(C)C)cc2)CCC1)c1ccccc1	1789650398	NISKUXUNIJWZBC-GOSISDBHSA-N	424.617	4.776	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1	1790489630	XQEONXVIXGTHBQ-HXUWFJFHSA-N	411.373	4.937	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1	1820857466	XJOPJTFMMQUBDZ-GXTWGEPZSA-N	420.922	4.541	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)cccc2Cl)[nH]n1	1820860828	XLTCIVOSUFVDSD-CJNGLKHVSA-N	423.344	4.695	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1	7157392	OJNRWOGFSYBLRA-HYARGMPZSA-N	419.488	4.848	50	20	HJGD	
O=C(NNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)c1ccccc1	195612859	RVDFKAPVAIJDRT-UHFFFAOYSA-N	402.347	4.586	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nnc(C(C)C)o2)c(C)n1-c1cccc(Cl)c1	726989776	XBWQRHBKEJDGMM-RQZCQDPDSA-N	424.888	4.904	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NNc1ccc(F)c(F)c1F	728715667	UUGSUZYDLMDRKC-UHFFFAOYSA-N	423.391	4.622	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2cccc(C(F)(F)F)c2)nn1-c1ccccc1Cl	728716490	FOPXUUVWVXHBGV-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC(=O)c1cccc2ncccc12	730147079	NFLBGHHACKUVQR-UHFFFAOYSA-N	424.291	4.800	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc([C@H](C)OCC)n2)c1C	736758108	TZRQXHGTDBSYGG-HKJBKDEOSA-N	401.532	4.719	50	20	HJGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1c(F)cc(F)cc1Br	741981511	NKGIAJDBERVEMU-AWEZNQCLSA-N	401.276	4.741	50	20	HJGD	
C[C@H](C(=O)NNc1cccc(Cl)c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	742516862	ODTMGJUPNHCEIN-KSSFIOAISA-N	403.910	4.685	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	745803541	SRZCTMDBFRBAAG-OAHLLOKOSA-N	417.897	4.701	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cc(F)c(F)c(F)c2)cnn1-c1ccc(Cl)cc1	746701715	XYVUVKCQXXJAOJ-UHFFFAOYSA-N	408.811	4.823	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(Br)ccc2Cl)cc1C(F)(F)F	746895037	QMCAHTFHZAYENZ-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)c1C	747589600	YPZBPMVNNGXEPH-POEBIKTISA-N	421.541	4.803	50	20	HJGD	
COc1cc(C(=O)NNc2cccc(F)c2)ccc1OCc1ccccc1Cl	748089502	ZXLBVBUSABVMEP-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccccc1SCc1cn2ccccc2n1	748277312	JNGNYPXIJJENSW-UHFFFAOYSA-N	410.449	4.662	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)c1	748907375	FMEQGOCXRDCWNE-UHFFFAOYSA-N	418.428	4.617	50	20	HJGD	
CCN(C)C[C@H]1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	749225626	NVPFKMWMYZRIHQ-DOMZBBRYSA-N	409.905	4.711	50	20	HJGD	
CCOC(=O)C1CCC(=NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1	750935595	WAEAGNZCTWIQMS-BZSJEYESSA-N	404.576	4.738	50	20	HJGD	
Cn1ccnc1[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1	752839473	PRPPARXKIOLAJT-MRXNPFEDSA-N	424.719	4.796	50	20	HJGD	
COc1ccc(-c2cncc(C(=O)NNc3cc(C(F)(F)F)ccc3F)c2)cc1	754148434	WTUQEYJBKOQMNJ-UHFFFAOYSA-N	405.351	4.672	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)c1	755650870	WVDDAXZPTMCUTG-UHFFFAOYSA-N	417.506	4.942	50	20	HJGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1	756211391	HIRZFTFOPDFTIK-UHFFFAOYSA-N	423.231	4.719	50	20	HJGD	
Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762752620	DPDWFMMEVAJCMB-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNc2c(Cl)cccc2Cl)c1C	763612033	GBBNZGBKPVUJQR-BPKVKKHESA-N	421.328	4.669	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(C)cc(C)c3Br)c(C)cc2c1	764317722	OTYXKVAQRBKWCS-UHFFFAOYSA-N	414.303	4.688	50	20	HJGD	
COc1ccc(-c2nc(C=NNC(=O)c3ccc(Cl)cc3Cl)cs2)cc1	767179507	BHEDHCLOCGZGOJ-UHFFFAOYSA-N	406.294	4.889	50	20	HJGD	
COc1c(F)cc(NC(=O)NNc2ccc(Br)cc2Cl)cc1F	769972366	KIDIRFATIXBZOG-UHFFFAOYSA-N	406.614	4.538	50	20	HJGD	
CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)CBr	770648702	VEFBWLTYXPMPCV-STQMWFEESA-N	409.290	4.775	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cn(C)nc1-c1ccccc1	771520326	MJDSJOVTNKYQLG-MHWRWJLKSA-N	406.873	4.603	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Cc1csc(-c2cccc(Br)c2)n1	771698029	WGSOFKZUTUENBO-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1nnc(-c2c(F)cccc2Cl)s1	775903606	RDURPFNUPOZBHH-UHFFFAOYSA-N	417.775	4.564	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)Nc1ccc(F)cc1	777464187	PTDREMMSXVEUKY-SXGWCWSVSA-N	414.362	4.635	50	20	HJGD	
Cc1noc2ncc(NS(=O)(=O)c3cccc(S(F)(F)(F)(F)F)c3)cc12	777634350	XYDDSTVOCSKPGR-UHFFFAOYSA-N	415.365	4.989	50	20	HJGD	
CSc1ccccc1COC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	781221701	WLPRTCYGFAFCAL-FVIRYLMMSA-N	410.539	4.656	50	20	HJGD	
O=S(=O)(NCc1ccc2c(c1)COC2)c1ccc(S(F)(F)(F)(F)F)cc1	782983011	HOXIVCMCCZWDFX-UHFFFAOYSA-N	415.405	4.853	50	20	HJGD	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNc1nnc(-c2ccccn2)s1	788563441	CWBSWHNGPJOUIV-PKNBQFBNSA-N	423.498	4.624	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc(C(F)F)c2)c1C	791761167	DRQKXJLDYAGPMC-IXJMWADBSA-N	402.441	4.900	50	20	HJGD	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	798910144	IHFNIFXBFLWSPE-XSFVSMFZSA-N	405.473	4.552	50	20	HJGD	
CCC(=O)c1cc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)ccc1F	802039341	DYMADCUTAIFYIN-UHFFFAOYSA-N	405.429	4.552	50	20	HJGD	
COC(=O)C1(CS(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCC1	811698545	KYHNSWMVUKSMLM-UHFFFAOYSA-N	423.425	4.819	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(Br)ccc2Cl)c(C(F)(F)F)c1	816703674	ONZBUUKWEBJKKW-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1	829226370	WRLKZFTVYNAXOG-UHFFFAOYSA-N	415.424	4.531	50	20	HJGD	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)C(=O)NC1CCCC1	834902805	DBXIBPPNUCEMPO-UKTHLTGXSA-N	422.838	4.819	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1C	912920745	AYEROJRJYRVZQM-MOSHPQCFSA-N	404.514	4.799	50	20	HJGD	
Cc1ccc(-n2c(N(C)C)nc(/C=C(\C#N)c3nc4ccccc4n3C)c2Cl)cc1	913619869	YWJMCIHQWNWGLN-DTQAZKPQSA-N	416.916	4.851	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1cccc(NC(=O)c2ccccn2)c1	918362453	QXEUFKKSQNJHII-SFHVURJKSA-N	415.584	4.664	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cccc4nc[nH]c34)cc2)CCC1	1788430360	JJEMYEFWUAEABG-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cc2cc[nH]c2cc1F	1790072412	KNVVBLKDFJCZNC-GOSISDBHSA-N	417.843	4.589	50	20	HJGD	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)CO[Si](C)(C)C)CCC2)cc1	1790451773	OVVJHSIUSSFFRT-UHFFFAOYSA-N	402.611	4.718	50	20	HJGD	
COc1c(C)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)cc1C	1790737853	NHWWRHVCXOHABZ-IBGZPJMESA-N	418.896	4.594	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1824611637	NIJALHKUFFFQBK-LEWJYISDSA-N	411.030	4.984	50	20	HJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1cccc(Br)c1	195661287	DMQCDGGKOLNLQD-UHFFFAOYSA-N	403.301	4.943	50	20	HJGD	
Cc1ccc(-c2nnc(S[C@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)o2)c(C)c1	727268882	XTBWOZFLTRKCNM-CQSZACIVSA-N	417.494	4.676	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccc3c(c2)OCO3)n1)c1c(Cl)cccc1Cl	728429868	RKAOLOPYCMIZGW-UHFFFAOYSA-N	420.277	4.610	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc2c(c1)nc(O)n2C1CCCC1	728717072	QVSHSICDJRUZPJ-UHFFFAOYSA-N	404.392	4.633	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)c2cccc(C#N)c2)cc1	728784580	HRYWSNOVEWFUGQ-UHFFFAOYSA-N	419.488	4.542	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c(Cl)c1OC	730433718	IMOGHUDKLWIXPL-WQLSENKSSA-N	405.907	4.657	50	20	HJGD	
CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	731480424	GJAPAHBBKZTTMU-UXHICEINSA-N	412.665	4.730	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(-c4nc[nH]n4)cc3)c2C)cc1	732159805	MNPCMUFAUZDKEA-FYJGNVAPSA-N	422.492	4.733	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)c2c(C)nn(CCCl)c2C)cc1F	733923684	HUAONBFMSXIGBO-UHFFFAOYSA-N	417.868	4.931	50	20	HJGD	
O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NNc1ccc(Cl)nn1	735687192	YFKPOCGWWJVBDP-IBGZPJMESA-N	419.337	4.749	50	20	HJGD	
COc1ccc(C(=O)NN=C(C)c2ccc(-c3ccccc3OC)cc2)cc1OC	741453228	NGPJRUKHOSETLG-UHFFFAOYSA-N	404.466	4.533	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O	741711450	PUKQEYUJMQYDST-GOEBONIOSA-N	413.008	4.666	50	20	HJGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc21)c1ccc(CSc2ccc(Cl)cc2)cc1	741883326	QZADPLYLVFREBZ-OAQYLSRUSA-N	422.937	4.733	50	20	HJGD	
Cc1ccccc1-c1nc(C(=O)NNc2c(F)cc(F)cc2Br)cs1	741981594	RQHABAPIGDPJCU-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
CC(C)(CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1	743587574	JKAIOMQIQRFDHC-UHFFFAOYSA-N	420.488	4.806	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(Cl)nc2)c(C)c1	743819152	CUGNQSUTVBVQMM-UHFFFAOYSA-N	417.900	4.961	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)/C=C/c1cnc(C(C)(C)C)s1	743821126	VXVFZEWFQGPQCF-ZHACJKMWSA-N	402.589	4.595	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(Cl)cc(Br)c1	748215369	UWWSRJSNHMOQCM-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COc1cccc(C2(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)CCCC2)c1	748622738	GEICHBPHRFZEII-UHFFFAOYSA-N	403.404	4.541	50	20	HJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)c12	748722567	UOSJMFRZVLDYFI-UHFFFAOYSA-N	415.837	4.542	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1	748754145	JJGRSUKNBOHHDK-UHFFFAOYSA-N	424.298	4.511	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cccc(C(F)(F)F)c1F	750847534	ZLRBQNUCKSZHCD-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3ccc(CCCCl)cc3)c2)n1	751141071	CCBSAHQZWUDENT-UHFFFAOYSA-N	419.934	4.580	50	20	HJGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	751516337	NCGNHJRBCNJEIF-FQEVSTJZSA-N	402.494	4.951	50	20	HJGD	
CN(CCCO)C1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752983538	YBMXBYGHGNKRPB-UHFFFAOYSA-N	417.444	4.655	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(NC(=O)c2ccccc2)cc1	754144087	UCPUWRQNEHYCFJ-UHFFFAOYSA-N	417.362	4.854	50	20	HJGD	
C/C(=C/c1ccccc1)CN(C)C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	756576617	XTBYKJIHXKWRGL-JKRFGZBBSA-N	417.553	4.753	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(=Cc3ccccc3F)CC2)c1C	757003550	DTTOHFIECKTVJR-XQNSMLJCSA-N	421.516	4.503	50	20	HJGD	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)ccc1O	762457014	OJPUQWNIWZVISP-UHFFFAOYSA-N	420.337	4.759	50	20	HJGD	
O=C(NCCc1nnc2ccccn12)Nc1cccc(S(F)(F)(F)(F)F)c1	762980750	UYJXQKHYPIUMTB-UHFFFAOYSA-N	407.368	4.751	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1ccc2cc(Br)ccc2c1	771549400	NBEMLSBLPOFCPR-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
CO[C@H](CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1	772893846	SCWMFVJJNGWUSE-OAHLLOKOSA-N	424.391	4.786	50	20	HJGD	
Cc1cccc(-n2ncc(C(=O)NNc3ccc4ccccc4n3)c2C(F)(F)F)c1	777464740	ZVGDWAHXHABKDZ-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(Cl)ccc3OC(F)F)c(C)cc2c1	778480715	KLMWBNIOMWFBAG-UHFFFAOYSA-N	407.804	4.564	50	20	HJGD	
C[C@@H](C(=O)NNc1ccccc1OC(F)(F)F)c1ccc(Br)cc1	779216580	HKSQJDMJMZAZNK-SNVBAGLBSA-N	403.198	4.595	50	20	HJGD	
CC(C)CN(C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(C)C	783403826	JOLLXGJUMROVTL-MRXNPFEDSA-N	410.889	4.737	50	20	HJGD	
O=C(NNc1ccccc1Cl)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	784779535	IMZMAIBANSLDDG-UHFFFAOYSA-N	422.897	4.699	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1	787146575	ZSAJRTRCDDEGDI-DDYRAIOVSA-N	417.490	4.713	50	20	HJGD	
Cc1cccnc1NNC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12	792513486	NYNXQVSAGPPJHO-UHFFFAOYSA-N	421.551	4.920	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	797094505	FKQBACUCXYXCAS-GIJQJNRQSA-N	418.305	4.577	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(Oc2ccccc2)cc1	806669391	DVYJYAGFBFWBRI-INIZCTEOSA-N	414.465	4.708	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@@H](c1ccc(Cl)cc1)C1CCCC1	806738080	ZDQDITUYHHZKEC-HXUWFJFHSA-N	410.905	4.739	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1	811034363	UBZJSFIABSSKRR-WUXMJOGZSA-N	407.209	4.561	50	20	HJGD	
O=C(NN=C1CC(c2ccccc2)C1)c1nc(-c2ccccc2)n(-c2ccccc2)n1	814742347	LZZLLPIZZDLDBG-UHFFFAOYSA-N	407.477	4.598	50	20	HJGD	
O=C1C[C@@H](C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21	817015487	DVDCNVVPEPEDIB-CQSZACIVSA-N	402.294	4.538	50	20	HJGD	
CN(C)c1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F	817016070	FHSUELOJZPIQFP-UHFFFAOYSA-N	409.305	4.686	50	20	HJGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1c(Cl)ccc(Cl)c1Cl	818238325	IWIIXEXXEBRHNW-UHFFFAOYSA-N	409.704	4.709	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	864800722	DDBHNMJQKVHCMA-HWLQVLAGSA-N	412.445	4.956	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1	898975728	LSPRLXRREYUGEZ-VPULJAIHSA-N	423.944	4.599	50	20	HJGD	
Cn1ccnc1SCc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)o1	914756130	HIMOPOCHBJKYPZ-UHFFFAOYSA-N	404.495	4.789	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c([N+](=O)[O-])c1	916665194	DOEQRNBFBMVFNW-WQRHYEAKSA-N	410.474	4.614	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=O)c2ccc(Cl)cc2)cs1	917531101	ULUPDBDUKSVRQK-UHFFFAOYSA-N	412.902	4.553	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)NNc2ccccc2C(F)(F)F)ccc1OC(C)C	918211875	DMHWGEOZYRFJHN-CYBMUJFWSA-N	411.424	4.889	50	20	HJGD	
CCCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918239815	VRPWLYNASABSEH-ZBEGNZNMSA-N	410.889	4.929	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc3ncsc3c2)c(-c2ccccc2)n1	918576423	NZBYVOIPSAIDJM-BOPFTXTBSA-N	424.489	4.619	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)cc1	918577043	UOUBOPQAZRVUPC-RNLRLKOUSA-N	417.553	4.683	50	20	HJGD	
CC(C)c1ccc(CCC(=O)NNC(=S)Nc2cccc(Br)c2)cc1	918681580	LWKSKHHPYDONOL-UHFFFAOYSA-N	420.376	4.523	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(N3CCCCC3)c2)c1C	919863240	HDIPSYNSRVXLIV-KWJZBXMYSA-N	420.557	4.848	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1C	920814523	IOOLAYMZTUOMEV-LWXKAZDGSA-N	417.553	4.898	50	20	HJGD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)CCC2	1321194596	UWTKDXXFOULAJL-LBPRGKRZSA-N	417.728	4.523	50	20	HJGD	
CCOC(=O)C[C@H]1CCCN1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	1343110890	VHBSUXMMFDLTPI-ABAIWWIYSA-N	424.872	4.855	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1	1791359645	LNVNOMCTQYAMAG-INIZCTEOSA-N	421.360	4.669	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C2	1793685232	XVDFCLDIKBJNJJ-SSTJLMRISA-N	422.972	4.611	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2C)CC1	1832567233	YSUAOGQHVMZDMZ-YADHBBJMSA-N	419.009	4.944	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1	5243581	ZVNBHXAMDGXJCQ-IREQLNLFSA-N	417.292	4.629	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccccc3)o2)c1C	5972063	AMLUJAOZMTUNOA-DEDYPNTBSA-N	404.470	4.605	50	20	HJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	207812723	MCCOPYHKHDYUMJ-LGMDPLHJSA-N	400.438	4.970	50	20	HJGD	
Cc1ccc([C@H](CNC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)N2CCCC2)o1	725744470	OKTKEYPEJHLVQL-YQZDYSOMSA-N	422.573	4.523	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](COCC(C)C)c2ccco2)c(C)n1CC(C)C	727055187	JTUWBDSYFJCIHQ-IMURNMJZSA-N	411.546	4.791	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)CCCc3ccccc3)c2Cl)cc1	727689538	SIPXUXOMFNPTAJ-UHFFFAOYSA-N	408.933	4.675	50	20	HJGD	
COCCn1c(C)c(C)c2cc(C(=O)NNc3ccnc4cc(Cl)ccc34)ccc21	729515221	NTBUGJJINNZJBM-UHFFFAOYSA-N	422.916	4.863	50	20	HJGD	
C[C@@H](C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1F	731365464	LIWOVKXMJXEIKW-SECBINFHSA-N	419.831	4.619	50	20	HJGD	
Cc1c([C@H](NC(=O)NNC(=O)CCCc2ccccc2)C(C)C)oc2ccccc12	732704668	GCIZDIQOWSBLPN-JOCHJYFZSA-N	407.514	4.792	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1coc2ccccc12	733357754	GHZGPMUYIBFTRK-UHFFFAOYSA-N	413.808	4.736	50	20	HJGD	
CN(C)[C@@H](C(=O)NNc1ccc(Br)cc1Cl)c1cccc(Cl)c1	733807711	CHFGZCVPVFUVBQ-OAHLLOKOSA-N	417.134	4.502	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)NNc2c(F)cccc2F)ccc1OC1CCCC1	735759373	UBIQHYSTMOPFFX-CYBMUJFWSA-N	405.445	4.682	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccon2)c(C)n1-c1cccc2ccccc12	739803679	BDPNDMDNMXLMPJ-STZFKDTASA-N	410.477	4.801	50	20	HJGD	
Cc1c(Br)cccc1C(=O)NNc1c(F)cc(F)cc1Br	742708587	KSJWNFXAAKHWFC-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	743333293	SIGMOHQBNOCRSV-ZDUSSCGKSA-N	408.329	4.833	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCCc2ccc(Cl)cc2Cl)c(Cl)c1	743503001	NJTQRJJCELDFQU-UHFFFAOYSA-N	415.708	4.534	50	20	HJGD	
CCc1noc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)n1	744553250	FSFVKQFYXMKOKG-MIQLPHMESA-N	404.470	4.559	50	20	HJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748701557	LIJJIASNRKYQTK-UHFFFAOYSA-N	401.388	4.755	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Cl)cc2)cnn1-c1ccc(Br)cc1	749273688	SSYMYDWWNYNDDS-UHFFFAOYSA-N	419.710	4.608	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1nccnc1Sc1ccccc1	752659124	BGNAHCOPHYQFRA-UHFFFAOYSA-N	408.380	4.543	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)C(=O)c3ccc(C)cc3)cs2)cc1	764892347	WHFZDXWCIPFDMG-LDADJPATSA-N	417.490	4.935	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1	765142698	JHRQCIONSCJWLU-VMOJBDSFSA-N	422.872	4.573	50	20	HJGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1cccc(OCc2ccccn2)c1	767035780	NUSYGMSXXDZKSQ-KDOFPFPSSA-N	405.336	4.647	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(OC(F)F)c(Br)c2)c1	768269509	PYXVUGPOERJLMP-QPEQYQDCSA-N	408.198	4.849	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)c1	768707308	LBRMYTUHOZHBTM-UHFFFAOYSA-N	417.831	4.718	50	20	HJGD	
COCc1ccc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	772912184	WSCDTBTUJSEQAJ-UHFFFAOYSA-N	424.391	4.745	50	20	HJGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	773177434	LNTUIFJNSLLNOG-UHFFFAOYSA-N	411.380	4.686	50	20	HJGD	
O=C(NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(F)c(F)c1	775392285	XOHNQULLLIEUGK-UHFFFAOYSA-N	409.607	4.783	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccccc1C(=O)c1ccccc1	779208529	ALIHSXZETSKSAC-UHFFFAOYSA-N	400.356	4.573	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1c(C)n(C2CCCC2)c2ccc(OC)cc12	780731886	PKGONHXJHTVIMT-UHFFFAOYSA-N	421.497	4.617	50	20	HJGD	
COc1ccc(C(=O)c2ccccc2C(=O)NNc2ccc(Cl)cc2Cl)cc1	781349283	ZCLDWDWQKTWSOU-UHFFFAOYSA-N	415.276	4.990	50	20	HJGD	
O=S(=O)(NCCc1ccc(Cl)nc1)c1ccc(S(F)(F)(F)(F)F)cc1	782985704	TZLLOFRDPHTGQP-UHFFFAOYSA-N	422.828	4.913	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)C(=O)NNc2c(C)cc(C)cc2C)c1C	783368556	PNANSFAEJASXDE-UHFFFAOYSA-N	411.546	4.707	50	20	HJGD	
CC(=O)Nc1nc(C(=O)OC2CCC(CO[Si](C)(C)C(C)(C)C)CC2)cs1	788055432	LCCUTADJCFGUKT-UHFFFAOYSA-N	412.628	4.839	50	20	HJGD	
N#C/C(=C\c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1ccc2ncccc2c1	794885334	QRMWBSFOADXWCK-OQLLNIDSSA-N	408.211	4.695	50	20	HJGD	
O=C(NNC(=O)c1csc(-c2ccccc2Cl)n1)Nc1ccc(Cl)cc1	802022601	OBZMUNMMMDHFNM-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)cc1C	812720541	KBRNNIZAGJSCAQ-UHFFFAOYSA-N	420.513	4.546	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CC[C@@H](c3ccccc3)C2)cc(OCC)c1OCC	814700277	PPZUPCLVNSCBHW-GOSISDBHSA-N	410.514	4.936	50	20	HJGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	814727483	PWSSCDNBRRSXAA-RHSMWYFYSA-N	414.889	4.526	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(C3SCCS3)cc2)c(C(F)(F)F)c1	816702102	YDIVXTMMCICYSR-UHFFFAOYSA-N	414.474	4.950	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)c1C	819100161	XTBKLFUJMYVVAG-CKFCFHJPSA-N	418.541	4.822	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1C	901416997	KZKKNPRRGMWIDI-ULJHMMPZSA-N	417.553	4.934	50	20	HJGD	
CCCCc1noc(COC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	912621721	NHNWPHXLIUTLDQ-CPNJWEJPSA-N	410.518	4.986	50	20	HJGD	
COc1cc(C=NNC(=O)CSc2ccc(C)cc2)c(-c2ccccc2)cc1OC	915270227	BVDNUFXIJBXCHH-UHFFFAOYSA-N	420.534	4.922	50	20	HJGD	
N#C/C(=C\c1cc(Br)ccc1OC(F)F)C(=O)c1ccc2c(c1)OCO2	915990031	ONESDUQIHZATNP-LFYBBSHMSA-N	422.181	4.569	50	20	HJGD	
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	916580501	GMHAUZHPBQDLLY-OAHLLOKOSA-N	410.301	4.553	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2-n2cncn2)c1C	918592316	CTLJVFWUVFMULT-WOJGMQOQSA-N	422.920	4.685	50	20	HJGD	
CCc1ccc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)cc1	934158746	WSNSFDDKDOCQSK-UHFFFAOYSA-N	422.550	4.962	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccc(OCC#N)c3)c2C)cc1	1318455885	QNHXSDKSCLMIND-HZHRSRAPSA-N	424.504	4.528	50	20	HJGD	
CC(C)c1ccc(-c2noc(CCC(=O)NNc3ccc(Cl)c(F)c3)n2)cc1	1319001977	PJGJLMRDETXARV-UHFFFAOYSA-N	402.857	4.728	50	20	HJGD	
O=C(NNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1	1321307313	QDAPZECNLGXDPR-UHFFFAOYSA-N	416.412	4.614	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(Oc2ccc(Cl)cn2)cc1	1322473038	QYCDFXRIIJANHN-UHFFFAOYSA-N	414.796	4.760	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CC3)CCC2)cc1	1786010448	KILQGSAFHYSEFN-UHFFFAOYSA-N	416.871	4.728	50	20	HJGD	
CCc1ncccc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1	1786011436	QLZMYASNUVIHLK-UHFFFAOYSA-N	413.949	4.657	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)CCC1	1789720934	LEIGZKKWFVLDED-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OC)c3C)CCC2)cc1	1790487777	BOXOLPFSZOGRHC-LJQANCHMSA-N	414.933	4.769	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1	1790705058	DZHBWYLTFZBXBO-NRFANRHFSA-N	423.944	4.908	50	20	HJGD	
CCC[C@@H](C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)n1cccc1	1791604833	WNGJRIGSGYWKIR-KRWDZBQOSA-N	422.356	4.767	50	20	HJGD	
C[C@H](Cc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1791733157	OTBGNLDEHIYQQH-DNVCBOLYSA-N	402.897	4.534	50	20	HJGD	
CCCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](Cl)CC)CC2)cc1	1830310297	RJNLLWZECUFPDS-FGZHOGPDSA-N	419.009	4.890	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	1831475980	RHMXJDWZCSODIX-GFOJFJKKSA-N	423.041	4.697	50	20	HJGD	
CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)CC1	1831564588	RZJUIDBTFMEBIG-LEAZDLGRSA-N	414.993	4.603	50	20	HJGD	
CC(C)Cc1ccc([C@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C(C)C)cc1	9796142	ABQJHWWJEAVFLU-JOCHJYFZSA-N	406.530	4.708	50	20	HJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	21287036	AJJOCJRJMDUEGT-UHFFFAOYSA-N	416.359	4.741	50	20	HJGD	
CCCCSc1nnc(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)s1	24270004	ACOSARLOANYJQM-LLVKDONJSA-N	417.585	4.753	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(CC#N)cc3)c2C)cc1	57821117	HUUSATGZQNMTFI-QNGOZBTKSA-N	410.477	4.715	50	20	HJGD	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNc1cccc(C(F)(F)F)c1	110785301	RXZNAQSIRKAXOY-UHFFFAOYSA-N	409.408	4.957	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	205773938	KEUKMJCSPAVIBM-RDPIHGLISA-N	418.928	4.986	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3ccn(CCN(C)C)c3c2)c1C	303864942	UJUYNSIEHMXQCP-JCMHNJIXSA-N	417.557	4.577	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)c1cc(Cl)cc(Cl)c1	728158305	NOMNQNSOZAQTHS-QLKAYGNNSA-N	412.232	4.902	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3ccc4c(c3)OCO4)n2)c(C)c1	728438518	YPWMYWFQNWYOED-LZYBPNLTSA-N	403.463	4.701	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(-c3nc(C)cs3)c2)c1C	728474421	MTICUHWJZFYCRF-JAIQZWGSSA-N	421.522	4.696	50	20	HJGD	
COc1cccc(C[C@]2(C(=O)NNc3cc(F)c(F)cc3F)C[C@H]3CC[C@H]2C3)c1	735520584	QEDHSCAEQZKFTR-DFFLPILJSA-N	404.432	4.605	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2csc([C@H](C)OCC)n2)c1C	736758110	TZRQXHGTDBSYGG-PMFHANACSA-N	401.532	4.719	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cnc4c(C)cccn34)n2)c1	741471827	PDESNHOYYKCRDT-YVLHZVERSA-N	413.506	4.929	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(Br)c(C)c1	746395479	YCFQCZYDRNJGDJ-OQLLNIDSSA-N	415.287	4.669	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ccc(Cl)c(F)c2)c1C(F)(F)F	746695430	DDYHXJNVWFRJEC-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)ccc1OCC(F)(F)F	750897631	ZEPRYHVUAGULON-GDNBJRDFSA-N	420.387	4.581	50	20	HJGD	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	751543817	DNFLDPNDVDMWGY-WWGRRREGSA-N	421.916	4.996	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](C)c2nccs2)c(C)n1-c1ccc(F)cc1	754724516	VCPGRMIFNIAGBA-XWAFYUISSA-N	408.502	4.517	50	20	HJGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NNc1ccc(Br)cc1	755688706	JFKUZIMDLVZUCB-UHFFFAOYSA-N	422.131	4.924	50	20	HJGD	
O=C(NNC(=O)c1cccc(Br)c1)Nc1cc(C(F)F)ccc1Cl	757735053	OQTGKYOFYMPOTM-UHFFFAOYSA-N	418.625	4.507	50	20	HJGD	
O=C(NN=Cc1c[nH]c2cccc(F)c12)c1cc(-c2ccncc2)nc2ccccc12	763338307	HNFJVCFPDVWBHT-UHFFFAOYSA-N	409.424	4.681	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccnc2)cc1	766486040	XQZUXQOBEJQJLG-FYJGNVAPSA-N	413.477	4.777	50	20	HJGD	
N#CCCCn1cc(C(=O)NNc2ccc(Br)cc2F)c2ccccc21	768093414	LRTUYLVJSUIGIF-UHFFFAOYSA-N	415.266	4.604	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1cccc(OCc2cccnc2)c1	769961414	JPXNWICWLIBMDN-UHFFFAOYSA-N	402.376	4.828	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(OCC2CCOCC2)cc1	770034324	LYWHSPKFKPXKJS-UHFFFAOYSA-N	409.408	4.659	50	20	HJGD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	772807027	IPILRGSXUSSSRZ-UHFFFAOYSA-N	410.364	4.608	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCC(C(F)F)CC1	773410370	YBCTXKBZAKZQPZ-UHFFFAOYSA-N	408.339	4.786	50	20	HJGD	
C[C@H](c1ccc(NC(=O)NNc2c(Cl)cccc2Cl)cc1)N1CCOCC1	775613822	URBDSFXDZPWADC-CYBMUJFWSA-N	409.317	4.535	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccccc3-c3ccccc3C#N)c(C)cc2c1	778477389	VMISPZOGLLESME-UHFFFAOYSA-N	408.461	4.847	50	20	HJGD	
C[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(C)(C)CN(C)C	782986652	YUSHCZTUIBUHRP-LLVKDONJSA-N	410.474	4.599	50	20	HJGD	
CC(C)(C)c1nc2cc(NC(=O)C(=O)NNc3cc(Cl)ccc3Cl)ccc2o1	783367614	IBPDROVELNHJEM-UHFFFAOYSA-N	421.284	4.514	50	20	HJGD	
COc1cc(NNC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)ccc1Cl	788987469	YOBVBTFOEMNPFO-LBPRGKRZSA-N	402.907	4.859	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1C	789998350	ALHNYEFAAZSBKA-ZNBBLSJYSA-N	422.554	4.670	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)cc1	792863246	SBRDFIIUGZNSCM-QHCPKHFHSA-N	418.698	4.895	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	795193205	QFGZPYDKCBJDOG-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cc(C#N)n1C	801588444	OJBABBFEYZTJGG-VGOFMYFVSA-N	407.886	4.528	50	20	HJGD	
CC[C@H]1CCC1=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1	807975946	HUHFJFMMOPXPOG-AWEZNQCLSA-N	406.602	4.523	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(C)(C)c1csc(-c2ccccc2F)n1	816663016	HBUCMTWGJNHPDJ-UHFFFAOYSA-N	414.462	4.587	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(SCc2cn3ccccc3n2)cc1	818788125	MOMYTPWWXGZDBB-UHFFFAOYSA-N	410.449	4.662	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1	849202326	KJXNWEHYGQAKCJ-UHFFFAOYSA-N	403.548	4.735	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2CC)c1C	855898511	OZPSBEQXZLPVJS-UQRWVXEISA-N	421.541	4.945	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc(Cl)c1OC	915863571	AWQKQIRXYSHTBP-SDQBBNPISA-N	405.907	4.657	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)cc1Cl	916490643	IVYMIVUWVPAEPO-ZNBBLSJYSA-N	415.921	4.910	50	20	HJGD	
O=C(NNC(=O)c1ccccc1SCc1ccco1)c1ccc2ccccc2c1	918110419	XQMVPTSVRCNEHJ-UHFFFAOYSA-N	402.475	4.800	50	20	HJGD	
CCc1ccc(-c2nnc(/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)o2)cc1	1326104747	UICYVVPURBXDRS-JFLYLQGUSA-N	402.498	4.961	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C)c4n[nH]cc4c3)cc2)CCC1	1790863624	KMTYJZPIWGAIKG-IBGZPJMESA-N	424.932	4.636	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2C)CC1	1830313764	RWKGZZKMHSZSRU-FCHUYYIVSA-N	419.009	4.565	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)Nc1ccc(C#N)c(Cl)c1	16860228	KGNSRDOVWZVIGN-WFASDCNBSA-N	412.964	4.796	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc(Cl)nc2)c(C)n1-c1ccccc1F	195697991	COJUPEWTXJYCLF-ZDLGFXPLSA-N	408.864	4.505	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CC[C@H](N2CCCC2)C1	727222302	BJTPDALQXDMTHC-SWLSCSKDSA-N	407.889	4.608	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccc(F)c(F)c3F)c3c(C)noc3n2)c(C)o1	727760045	RZTIMJRHFNXNNH-UHFFFAOYSA-N	416.359	4.582	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)ccc1OC(F)F	730436349	IPFCUVCFOZGSMI-POHAHGRESA-N	414.227	4.910	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=Cc3c(C)[nH]c4ccccc34)s2)cc1	730557782	PVUQAHULVGIMLM-UHFFFAOYSA-N	404.495	4.560	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	730596943	KIWJAGDILJIFQN-KBPBESRZSA-N	414.745	4.768	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCc2cc(C(C)C)no2)c1C	733945844	AFOOWRMXJWTXII-RGVLZGJSSA-N	402.498	4.737	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cc(C)n(C3CCCCC3)c2C)c1C	734256037	FQOZOVQLNILIOV-UHFFFAOYSA-N	418.545	4.836	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)c1ccc(F)cc1F	737645378	QAZRXVXCVHPBBE-NLIUNQKYSA-N	415.484	4.765	50	20	HJGD	
Cc1ccc(NC(=O)NN=Cc2cn(CCC#N)nc2-c2ccccc2)c(Cl)c1	741766502	VLKIOCIIGGAXEA-UHFFFAOYSA-N	406.877	4.581	50	20	HJGD	
O=C(NN=Cc1cccc(-c2ccccn2)c1)c1ccc(Br)cc1Cl	747752109	VVFIFXQIEWKREU-UHFFFAOYSA-N	414.690	4.928	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1SCc1cn2ccccc2n1	748562228	NTOSLXCMTGFGEB-UHFFFAOYSA-N	406.486	4.831	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1	748674254	RUIRGCNFCVUHHA-GOSISDBHSA-N	415.465	4.794	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NNc3cccc4cnccc34)c12	748758817	GHNVNCNFRUHSSD-UHFFFAOYSA-N	414.513	4.677	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)c2ccccn2)c(C)n1CC(C)C	751109352	WWMKAHUILZPRQF-ZDLGFXPLSA-N	404.436	4.658	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)C1(c2ccc(C)cc2)CCOCC1	753184892	OQUDJGZCMLBUTE-UHFFFAOYSA-N	417.347	4.511	50	20	HJGD	
O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)NNc1cc(C(F)(F)F)ccc1F	754572975	MDFJOIPFDJCADA-KDOFPFPSSA-N	411.399	4.639	50	20	HJGD	
O=C(NNC(=O)c1cncc(-c2ccccc2)c1)Nc1ccc(-c2ccccc2)cc1	758157358	YGJFREBINOCNMM-UHFFFAOYSA-N	408.461	4.882	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2c(Cl)oc3ccccc23)c1	761257705	BWEZATLQBBFWAX-UHFFFAOYSA-N	407.651	4.621	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c1C(F)(F)F	768008745	FFHUJAKZIOOGCM-UHFFFAOYSA-N	413.202	4.860	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1	768111292	HDQZYFCBWVPVIK-LJQANCHMSA-N	420.822	4.762	50	20	HJGD	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H](Br)C(C)(C)C	768252587	BFZHLCNWMJOOGE-DZGCQCFKSA-N	418.807	4.974	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1OCC(F)(F)F	769949261	NFGVGPRXRXTUPB-UHFFFAOYSA-N	423.313	4.804	50	20	HJGD	
CC[C@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CCOCC1	773355621	QTCJBOFAYPDBAV-AWEZNQCLSA-N	416.412	4.604	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cc1	775690934	PDFVDCIZSAHBBX-UHFFFAOYSA-N	419.190	4.955	50	20	HJGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	776722510	RRQAIBQHWPEYNN-VGOFMYFVSA-N	420.271	4.515	50	20	HJGD	
CCOc1ncccc1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777869099	DFBBTHHAIICMAN-UHFFFAOYSA-N	418.409	4.616	50	20	HJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3ccccc3OC(F)(F)F)c2)cc1	779201898	QJAJTPQIWLCCDB-UHFFFAOYSA-N	412.371	4.957	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1	779280487	FRMVHNDGFBVVMQ-IAQYHMDHSA-N	404.732	4.503	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1	781820659	WVJFKZAZSVLUIM-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1	787530343	NDUGGLQWDGTKSS-XLCPLWEUSA-N	418.440	4.635	50	20	HJGD	
CCCN1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1=O	788298770	HLCRHHHGLOXNMM-UHFFFAOYSA-N	401.401	4.820	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)ccc1Cl	788674710	GUUQVBNHXBIGEX-UHFFFAOYSA-N	424.263	4.535	50	20	HJGD	
CC(C)(C)[C@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO1	790454706	GKQGWHMHNNNRTR-CYBMUJFWSA-N	409.442	4.780	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCOC[C@H]2[C@@H]2CCCC2=O)cc1	792876945	FSMINOSELLUSMQ-SFTDATJTSA-N	403.639	4.778	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(/C#N)C(=O)Nc1ccc(F)c(Cl)c1	794696841	WHWZAEPFSDWAAC-WQLSENKSSA-N	416.243	4.567	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c(C)n1C(C)C	804208804	ZCNUZLQQDTWBFS-UHFFFAOYSA-N	417.435	4.919	50	20	HJGD	
C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	806421890	GBGKHWZOEODCRJ-OCCSQVGLSA-N	415.428	4.671	50	20	HJGD	
CC(=O)c1cc(NC(=O)NNc2ccc(Br)cc2Cl)ccc1F	806569411	AGJYPTFBXYTBSK-UHFFFAOYSA-N	400.635	4.593	50	20	HJGD	
CCOc1ccc(NNC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1	817880178	YGWPRHCAFJGHGA-UHFFFAOYSA-N	421.444	4.913	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNC(=S)Nc2ccc(C)cc2C)cc1	913428675	IOHNCVBKPWCTKH-UHFFFAOYSA-N	424.595	4.604	50	20	HJGD	
O=C(/C=C\c1ccccc1F)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	913453840	LFXVINRBECBDMX-YVMONPNESA-N	417.815	4.529	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc4c(c3)OCCO4)n2)c1	916128842	FWCYWIGOTGFLFH-YVLHZVERSA-N	417.490	4.744	50	20	HJGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2ccc(F)cc2)s1	916145491	UZVSDFMEGKJJQQ-STQMWFEESA-N	414.424	4.684	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)c1	918686899	CDMBPXPQFPWNKV-NSHDSACASA-N	414.383	4.800	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cc(Br)c2c(c1)OCO2	920440816	PLQOHWFNBWEWKK-GFCCVEGCSA-N	418.378	4.508	50	20	HJGD	
CCC1CCC(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1	921028454	HDLIJNOZCPRLAI-JCMHNJIXSA-N	415.541	4.703	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(F)cc1F	1257792627	VIUDNLJUMGNONG-LLVKDONJSA-N	422.357	4.687	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4c3)cc2)CCC1	1789014292	CTQIVGASACNEME-OAQYLSRUSA-N	421.928	5.000	50	20	HJGD	
CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Br)CCC3)cc2)CC1	1789115170	VVTQTFUFBUUVJU-HZPDHXFCSA-N	419.363	4.650	50	20	HJGD	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)CBr)CCC2)cc1	1790447790	IGXQNCCCSGFIRW-MRXNPFEDSA-N	421.379	4.898	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccco3)CCC2)cc1	1790489541	WRFSWPNNZIOONI-XTXLJPNXSA-N	421.324	4.663	50	20	HJGD	
CC1=CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)CC1	1828344772	RUJFVESJYBSAOI-VQTJNVASSA-N	409.014	4.618	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](SCc2ccccc2)C(C)C)c1C	727484809	VHKROQJASQAUQF-IBGZPJMESA-N	401.601	4.579	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cc2c(s1)-c1ccccc1CC2	727794568	NXFYTEOWKJJHPN-UHFFFAOYSA-N	417.317	4.895	50	20	HJGD	
C=C(C)CN1CCC(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)CC1	729975600	PRRMMOYHOOISTH-PXLXIMEGSA-N	408.590	4.674	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(Cl)s1	734007307	PUXDYDGWAOGQGF-CMPLNLGQSA-N	411.980	4.683	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc2c(c1)OCCO2	734484161	YXVJKKZHWLZHQA-LDADJPATSA-N	417.440	4.550	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=C2CCC[C@H]2Cc2ccccc2)c1	735616175	ZEMYSWDHUWPMTQ-HNNXBMFYSA-N	401.304	4.586	50	20	HJGD	
CC(C)(C)CCCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	739783335	TVNIBZYCUFABSU-JXAWBTAJSA-N	423.948	4.967	50	20	HJGD	
Cc1cc(C)cc(C[C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	742013307	RNGJLSYHVXFDRX-CJOXTAKTSA-N	419.569	4.555	50	20	HJGD	
CCN(CC1CCN(c2ccccn2)CC1)C(=O)CCCC[C@H]1CCSS1	742941948	IWLXDYGAYCORHU-IBGZPJMESA-N	407.649	4.861	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1F	743295989	DUQRLKRROKAFMB-UHFFFAOYSA-N	414.868	4.769	50	20	HJGD	
Cc1csc([C@H](NC(=O)NNc2nc(Cl)c(Cl)cc2Cl)C2CC2)n1	745863598	HLTAGTMIMYRLNL-SNVBAGLBSA-N	406.726	4.584	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccccc2Oc2cccc(Br)c2)c1	748044479	PWWGIOUHUREFIZ-UHFFFAOYSA-N	408.255	4.870	50	20	HJGD	
CCCN(CC)Cc1ccc(C(=O)NNc2ccc(Br)cc2F)cc1	748174553	ZDFKLVWWQXIXIR-UHFFFAOYSA-N	408.315	4.577	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC(F)F)cc2)c1C	748436838	QSRNVAULIMEZHY-PACYTGELSA-N	417.456	4.502	50	20	HJGD	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)NNc2ccc(F)cc2C)cc1	748548711	GXYQDAFHKZZKGO-UHFFFAOYSA-N	423.513	4.930	50	20	HJGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748703837	UQSRMDIPTTYIIL-LLVKDONJSA-N	404.841	4.905	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1	751792623	WVYQGCFANMNYCO-RVDMUPIBSA-N	401.894	4.578	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1	752739996	GWBJOFQWWWAKNZ-YRNVUSSQSA-N	424.304	4.902	50	20	HJGD	
CC(=O)N(C)C1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752982712	WUGVXJGRRHMBGV-UHFFFAOYSA-N	401.401	4.819	50	20	HJGD	
CC(C)Oc1cc(Br)cc(C(=O)NNc2ccc(C#N)c(Cl)c2)c1	753303938	WYMPRLHRAQVAMM-UHFFFAOYSA-N	408.683	4.518	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(OC(F)F)cc1)c1cccc(C(=O)c2ccccc2)c1	762002303	AWVIMHUJJLSEOL-HNNXBMFYSA-N	410.420	4.766	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNc2c(Cl)cccc2Cl)c1C	763612039	GBBNZGBKPVUJQR-WPBJZHHJSA-N	421.328	4.669	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(OC(F)F)cc1OC(F)F	769957783	KBEABBTUJIMQOQ-UHFFFAOYSA-N	416.356	4.648	50	20	HJGD	
C[C@@H]1C[C@H]1c1cc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n[nH]1	773747998	UAFXPLXOYNGBKA-LDYMZIIASA-N	410.368	4.768	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1	773765955	ABJNXKKVPIHFKJ-UHFFFAOYSA-N	415.827	4.675	50	20	HJGD	
C[C@@H](NC(=O)COC(=O)CCCC[C@@H]1CCSS1)c1ccc(Cl)cc1	786594793	AMCPOALNZVHGAY-CZUORRHYSA-N	401.981	4.775	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc2ccccc2n1CC(F)(F)F	787533748	MGTLTKRZKIADAJ-UHFFFAOYSA-N	403.191	4.662	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2nc(-c3ccccc3)no2)cc1)c1ccccc1	788511083	OGEDIEFCLUDCLI-MRXNPFEDSA-N	400.438	4.634	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Cl)c(OC)c2)cnn1-c1cccc(Cl)c1	790176688	SCZLMQGHGAHQMR-UHFFFAOYSA-N	405.285	4.507	50	20	HJGD	
COc1cc(NNC(=O)c2cc(Cl)cc(Br)c2F)ccc1Cl	790181726	WTMFSHFDJPYMOD-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
CC(C)(O)CN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C1CCOCC1	792874645	XJAUNUUCPKQSEC-UHFFFAOYSA-N	407.671	4.960	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1	797301523	CXOYPVWCDIUYNU-HAVVHWLPSA-N	412.489	4.540	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2c(-c3ccc(Cl)c(Cl)c3)noc2C)c1	797950326	PXWUZVCNWLQYEP-UHFFFAOYSA-N	410.232	4.861	50	20	HJGD	
CCc1cc(C(=O)NNc2ccc(OC(F)F)cc2)c2c(CC(C)(C)C)noc2n1	800520215	GNWAYESSTDXCOE-UHFFFAOYSA-N	418.444	4.732	50	20	HJGD	
O=C(NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)Nc1ccccc1	801988712	MWGJFPWQIZSABW-UHFFFAOYSA-N	404.451	4.537	50	20	HJGD	
CCCN(NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)C(=O)OC(C)(C)C	804592649	FXQAWWRLGJPGLF-UHFFFAOYSA-N	407.511	4.634	50	20	HJGD	
COCCCOc1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1OC	806624604	DIRBPJBRHKKEGH-UHFFFAOYSA-N	414.289	4.566	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)NNc3c(C)cccc3C(C)C)cn2)cc1	813049311	CFJRUDRQAGKQOB-UHFFFAOYSA-N	418.497	4.696	50	20	HJGD	
CC(C)n1ncc2cc(C=NNC(=O)c3cc4c(s3)CC[C@H](C)C4)c(Cl)nc21	874087013	PZBKGBFMNAYPLV-LBPRGKRZSA-N	415.950	4.616	50	20	HJGD	
O=C(NNc1ccc(F)cc1)c1cc(Br)ccc1OCc1ccccc1	912709874	NGUZYLVOMJQTKC-UHFFFAOYSA-N	415.262	4.924	50	20	HJGD	
O=C(NC1CCN(Cc2ccccc2)CC1)NN(Cc1ccccc1)c1ccccc1	913459087	GOLFHIQYGCVYES-UHFFFAOYSA-N	414.553	4.572	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2csc3ccccc23)c(C)n1C[C@H]1CCCO1	915712694	XEUVWPNUVOXPMF-ZNQKWNQWSA-N	419.550	4.722	50	20	HJGD	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(C)(C)C)cc1	915968917	CAJSPBLVVVXCFH-UHFFFAOYSA-N	404.514	4.823	50	20	HJGD	
CC(=NNC(=O)Nc1ccccc1C)c1ccc(OCC(=O)Nc2ccccc2)cc1	915971270	MJDAVSQDBUPENE-UHFFFAOYSA-N	416.481	4.558	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1C	916466765	DJKSXUIRDVIOAG-CBIIRDDDSA-N	407.514	4.618	50	20	HJGD	
C[C@@H]1CCC[C@H](N(C)C(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	918439581	SYORHASQQVTZPS-PEBVRCNWSA-N	422.900	4.882	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(OC(C)(C)C)cc2)c1C	920474464	DVMFTIVCIQTFJX-QLTNSANVSA-N	423.557	4.713	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cccc(OCc4cccc(C(=O)O)c4)c3)nc12	1252080133	LKGJEBGSOXQFGL-GRSHGNNSSA-N	410.433	4.608	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4n[nH]cc4c3)CCC2)cc1	1786443991	NPWXUVZDYKFPLO-LJQANCHMSA-N	424.932	4.718	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)CN(CC)CC)CCC2)cc1	1786445884	AHCMYAWVHAMFFE-XLIONFOSSA-N	422.013	4.506	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1	1786446725	OSAZWVIDBFVKBX-IBGZPJMESA-N	402.922	4.754	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(F)c3)CCC2)cc1	1790486126	SZHLWBGOCZUGLV-KRWDZBQOSA-N	420.887	4.659	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cnc3Cl)CCC2)cc1	1790487301	MMJDWYYZNZKZDZ-MRXNPFEDSA-N	424.303	4.639	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(C)c2C)[nH]n1	1815317832	KAEBNFTXKAYEND-RDJZCZTQSA-N	422.982	4.801	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)[nH]n1	1815321243	RATCVNXJNZJNCZ-YJBOKZPZSA-N	420.916	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1	1815321738	GEKIDFSQQFDGDC-KBXJCHCYSA-N	406.958	4.556	50	20	HJGD	
CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)cc1	1830058057	TXLXZMZTPRPDEA-WOJBJXKFSA-N	408.945	4.578	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)CC1	1832401606	HRPULDCKBUAYLV-JTAQYXEDSA-N	409.014	4.760	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1	23723860	RCYVKWYITRPEAH-CXUHLZMHSA-N	414.889	4.999	50	20	HJGD	
Cc1ccccc1-c1nnc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)o1	136134598	QHAJGSMDXCJJHH-RGEXLXHISA-N	406.492	4.659	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc2c(c1)OCCO2	209887945	NYXUOIYOCRSWIW-PTNGSMBKSA-N	406.438	4.871	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1C	302641087	PBHNZKYFHDWECP-HYARGMPZSA-N	415.541	4.541	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(C(=O)Nc2ccccn2)c1	725718703	XZFKPXMOJJUVKW-QGZVFWFLSA-N	401.557	4.987	50	20	HJGD	
Cc1cc(C(=O)NNc2nccc3sccc23)cc(C)c1OCc1cccnc1	734249913	MLBAXTCTMBDTDK-UHFFFAOYSA-N	404.495	4.644	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cccc(-n2nccc2-c2ccccc2)c1	740132041	AZEBVSUGAGCAGC-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccncc1	741586148	OPHUMBZEUIQOQY-VOZFUJEASA-N	414.509	4.672	50	20	HJGD	
O=C(NN=C(CC1CCCCC1)c1ncccn1)Nc1ccc(OC(F)F)cc1	741772415	VSUUAWLAGMDFBW-UHFFFAOYSA-N	403.433	4.574	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1cccc2ccccc12)[C@H](C)c1ccccc1OC	743629000	ZJKFRCPYESXUPW-QGZVFWFLSA-N	405.498	4.676	50	20	HJGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1	745644879	NCWZYFJLPVZILU-MRXNPFEDSA-N	424.423	4.550	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1O	747034799	XTZKTHIDNIDHQB-MKMNVTDBSA-N	403.265	4.982	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNc3ccc(Br)cc3F)c2)n1	748190373	AOIGEADKBFEIRZ-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1	748672297	CAZJMCRMIKTOPU-OBONGRFPSA-N	413.587	4.750	50	20	HJGD	
COC(=O)c1cc2c(/C=C(\C#N)C(=O)c3c[nH]c4cc(C)ccc34)ccc(OC)c2o1	748997960	MJXNTXRASJKNFS-OQLLNIDSSA-N	414.417	4.808	50	20	HJGD	
O=C1CCCN1CC[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)c2ccccc21	751416102	PHJOJIXLYHHUHX-ROUUACIJSA-N	418.628	4.843	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)o1	752779199	FRVIWCCUAUWFHQ-SFHVURJKSA-N	400.887	4.536	50	20	HJGD	
N#Cc1cccc(OCc2ccoc2C(=O)NNc2cc(Cl)ccc2Cl)c1	752810612	KVZRLAREZUPMFJ-UHFFFAOYSA-N	402.237	4.794	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)c(C)cc2Cl)c1C	752856950	GCQGAIQLVMNVQQ-CXUHLZMHSA-N	406.313	4.912	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](CCCO)c2ccccc2)c(C)n1CCC(C)C	761913497	JJGSIDDPBQAAFL-DFOZZHOTSA-N	407.558	4.688	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c1	770029966	HQPHWPYDUVAYIJ-UHFFFAOYSA-N	413.359	4.913	50	20	HJGD	
O=S(=O)(NC[C@@H](O)C1CCCCC1)c1cccc(S(F)(F)(F)(F)F)c1	777960404	GGOXQWHIFZQZQQ-CQSZACIVSA-N	409.442	4.564	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(Cl)cc(Br)c1	779208717	GLYCLCLGRQLJRX-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
COc1cc(NC(=O)NNc2ccccc2OC(F)(F)F)ccc1Br	779437250	BOAMIPNWDIQUJZ-UHFFFAOYSA-N	420.185	4.505	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1ccc(OC(F)F)cc1	779524003	XWTCXHAYPZXHRE-SNVBAGLBSA-N	405.323	4.574	50	20	HJGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)c(Cl)c1	781761430	ONUIIPBXMQLTIW-UHFFFAOYSA-N	416.692	4.516	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1-n1cncn1)C(=O)Nc1cc(Cl)ccc1Cl	794932824	ZDJAWVQDXYWYNB-LFYBBSHMSA-N	418.671	4.773	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)n1	797704439	VPYVPLHJWGCUQF-UHFFFAOYSA-N	420.300	4.936	50	20	HJGD	
O=C(CCC(=O)c1cccs1)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	802074090	XSPORJLFZSMLRU-UHFFFAOYSA-N	420.705	4.524	50	20	HJGD	
CSc1ccccc1CC(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804210094	PWSMYDNJAOJRIE-UHFFFAOYSA-N	418.444	4.570	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=C3CC[C@H](C(=O)O)C[C@H]3C)c3ccccc3n2)cc1	814713591	DKJVUBFQUVECEL-AEFFLSMTSA-N	415.493	4.817	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ncsc1Nc1ccccc1	816840284	ITKTVRLJZWBCMR-UHFFFAOYSA-N	423.376	4.571	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccc(Cl)cc1	916237997	RWVSIUANWFGWRZ-MRXNPFEDSA-N	412.342	4.567	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1	916409210	YMLUDASDVWAZJJ-OAHLLOKOSA-N	400.693	4.742	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1C	917779807	JQYPOHVWNZMBQT-STZFKDTASA-N	406.530	4.589	50	20	HJGD	
O=C(NCc1cn2ccccc2n1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918186350	CVFVDDSRNJZCRE-HNNXBMFYSA-N	414.840	4.875	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC	921138459	MDSWTTUCWVXARP-KGVSQERTSA-N	407.209	4.709	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)Cc2cccc(OCc3ccccc3Cl)c2)nn1	1318589697	MZBNDQDZUOPDTD-UHFFFAOYSA-N	424.932	4.692	50	20	HJGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)cc1	1803829477	YLSQUHYSFJYOMD-CIAFKFPVSA-N	410.945	4.623	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1	1822957917	IHRGXCVWZIAKSJ-YSJWXEPDSA-N	420.985	4.637	50	20	HJGD	
CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)Cl)CC1)c1ccccc1	1827603690	CZFONQKDUPWYCZ-PCCBWWKXSA-N	422.972	4.580	50	20	HJGD	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNc1cccc(Br)c1	195551027	VTMUOOQSBXXYDT-UHFFFAOYSA-N	420.307	4.701	50	20	HJGD	
O=C(CCc1ccc(Cl)c(Cl)c1)NNC(=S)Nc1cccc(Cl)c1	725907752	PZBJXSYBYZVEQD-UHFFFAOYSA-N	402.734	4.597	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc3c2OCCO3)c(C)n1C1CCCCC1	727854783	KDLDEYVGHJXBNW-KGENOOAVSA-N	419.525	4.605	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCO[C@H](c3ccccc3)C2)c(C)n1CC(C)C	729834041	AGENPYLQSZAXKK-PQBKBUHISA-N	405.542	4.658	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(OC(C)C)CC2)c(C)n1-c1ccc(F)cc1	730509559	IYQDYBUQUIHENA-ZHZULCJRSA-N	409.505	4.556	50	20	HJGD	
Cc1ccccc1COc1cccc(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)c1	732660555	YAXGTQZXZNORKC-NHDPSOOVSA-N	410.477	4.638	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3cccnc3)c(C)c2)cc1OC	732713462	FGXXZQJJGAXNQS-PDGQHHTCSA-N	415.449	4.745	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cccc(Oc2ccncc2)c1	733000585	RPYLXGFXTZZQNV-UHFFFAOYSA-N	406.511	4.629	50	20	HJGD	
O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)c1cnn(-c2ccccc2)c1	733078925	YVGRDRFIZZEYGC-UHFFFAOYSA-N	405.461	4.785	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2nccc3sccc23)c1C(F)(F)F	734250443	VAWFILYTHHSKRF-UHFFFAOYSA-N	417.416	4.566	50	20	HJGD	
Cc1cc(NNC(=O)c2oc3ccccc3c2CSc2ccccc2F)ncn1	734253595	LKBNVAUHHHCQCI-UHFFFAOYSA-N	408.458	4.720	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c3nccs3)c2C)cc1	734804346	OOVIBUKNNZFDCS-QGOAFFKASA-N	420.538	4.518	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1c(F)cc(F)cc1F	741687258	PXSXMUIZQZJURV-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)c2ccc(SCC(F)F)cc2)o1	741762156	KGHIKIHTGDCMBH-UHFFFAOYSA-N	409.502	4.633	50	20	HJGD	
CC(C)[C@@H](CO)N(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccccc1	741791095	BFZUFHVQJAJHRV-AREMUKBSSA-N	421.521	4.520	50	20	HJGD	
COc1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)ccc1C	742005953	BONKVFIKMKXMJM-UHFFFAOYSA-N	404.091	4.830	50	20	HJGD	
Cc1ccccc1OCCCOC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	742862849	PKWPWUBEOIFSAM-UAPYWLNTSA-N	422.525	4.512	50	20	HJGD	
Cn1cc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c2ccccc21	744782200	OASSNASAJFQMKH-UHFFFAOYSA-N	422.828	4.764	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(OCC3CC3)cc2)c1C	745813855	LDLWPPMVOPNYQF-WCEBZYJUSA-N	408.498	4.614	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccccc1C(=O)c1ccc(Cl)cc1	746703794	FKWGFILVFFPJDW-UHFFFAOYSA-N	404.775	4.745	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1C(F)(F)F	746896270	LXKBFXNMYKDGDZ-UHFFFAOYSA-N	420.391	4.520	50	20	HJGD	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)NNc2ccccc2F)cc1	748050357	DKKOTHDCBLXIIH-UHFFFAOYSA-N	409.486	4.622	50	20	HJGD	
Cc1nc(NCC(=O)NNc2ccc(F)cc2C)c2cc(-c3ccccc3)sc2n1	748552142	ZPHNGCJYGBRBMV-UHFFFAOYSA-N	421.501	4.669	50	20	HJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3ccc(OC(F)F)cc3)c(C)c2c1	748654185	GDZQMCLTQGYPIO-UHFFFAOYSA-N	402.397	4.621	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NNc3ccc(C#N)c(Cl)c3)c12	753316575	DOKFOCRVZJKLBZ-UHFFFAOYSA-N	424.936	4.900	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)c2cc3ccccc3o2)cc1	755756877	SAQDQMHPVOWINZ-HXUWFJFHSA-N	410.433	4.555	50	20	HJGD	
O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1cccc(CSC2CCCC2)c1	756709084	WOPLPDURFSADPD-UHFFFAOYSA-N	419.934	4.688	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2Cl)c(Br)s1	761539760	CBNKUJXJKAERAQ-UHFFFAOYSA-N	424.545	4.992	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cc2ccccc2cc1OC(F)F	762260829	POZDGQCTWMBKTA-UHFFFAOYSA-N	406.392	4.655	50	20	HJGD	
O=C(NCCSC(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762636669	KUWOAWZLBRISPK-UHFFFAOYSA-N	418.331	4.652	50	20	HJGD	
O=C(NN=Cc1cc(Br)ccc1Cl)c1cc(-c2ccccc2)on1	767766797	BLUUTTYTCDAARF-UHFFFAOYSA-N	404.651	4.521	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1	771693170	VBXXPPLCKDBUQC-UHFFFAOYSA-N	410.232	4.765	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	775623594	MWEYIMRTBQJQBN-MUUNZHRXSA-N	413.930	4.938	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	775623595	MWEYIMRTBQJQBN-NDEPHWFRSA-N	413.930	4.938	50	20	HJGD	
CC(C)(C)Cc1nc(-c2cccc(C(=O)NNc3ccc4ccccc4n3)c2)no1	777466563	HDOLHWLHGAFUGX-UHFFFAOYSA-N	401.470	4.630	50	20	HJGD	
COCC1(C)CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	778053279	OTGHCKTUKWNQQK-UHFFFAOYSA-N	409.442	4.781	50	20	HJGD	
Cn1ncc(Cl)c1C=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	780194098	FYIWZIJHKAQAHR-UHFFFAOYSA-N	424.291	4.706	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCc2ncsc2C1	782699065	DXMGNDLRFQYFED-CYBMUJFWSA-N	407.870	4.953	50	20	HJGD	
C[C@H](CC(=O)NNc1c(F)cc(F)cc1Br)c1c[nH]c2ccccc12	783784432	OQRJZMPFFWUMHO-SNVBAGLBSA-N	408.246	4.846	50	20	HJGD	
COc1cc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)ccc1OCCC(C)C	787028576	DLXFXIVMQJAGLK-IZQLPPHKSA-N	408.498	4.610	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1C	789980651	RXSJDYVBVIYXAY-QJVAEYLJSA-N	415.921	4.828	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(/C#N)c1nc(-c2ccncc2)cs1	794701925	XYWFATVLHURZMH-GDNBJRDFSA-N	404.886	4.812	50	20	HJGD	
C=C(CBr)COC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	795483563	MFLRMLWSNYVUCY-UHFFFAOYSA-N	420.250	4.866	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2	803429859	LTLHGDCZDILNLC-READRUSDSA-N	421.928	4.674	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1nc(Sc2ccccc2)ns1	809881280	GHKBVQNUNLQILM-UHFFFAOYSA-N	413.315	4.540	50	20	HJGD	
COc1ccc(NNC(=O)c2cnc(-c3ccccc3F)s2)c(C(F)(F)F)c1	816702064	WKLHZIJRBTUJQQ-UHFFFAOYSA-N	411.380	4.734	50	20	HJGD	
COc1ccc(NNC(=O)c2ccccc2NCc2ccco2)c(C(F)(F)F)c1	816703028	LXBZJAGMFAJJSR-UHFFFAOYSA-N	405.376	4.676	50	20	HJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)Nc3nc4ccccc4nc3Cl)c[nH]c12	915852804	ZHPDOAJHRMEJDM-UVTDQMKNSA-N	401.857	4.873	50	20	HJGD	
COc1ccc2cc(/C=C(/C#N)C(=O)Nc3nc(-c4ccncc4)cs3)ccc2c1	916129207	AZQPYHWTBJBKLP-ODLFYWEKSA-N	412.474	4.913	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cnn(-c2ccc(Br)cc2)c1	917145777	YCDFZBAEIMRPMK-LICLKQGHSA-N	421.298	4.797	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cc1	917665677	JEDDAIPFENLCTH-INIZCTEOSA-N	402.825	4.792	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cc(F)cc(Cl)c1	1792121950	VQRXSIRIKCPBKB-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1Cl	1799543612	HQIPAGOFGQLKSF-OQMKEHIESA-N	417.764	4.653	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)c1C	207607887	OWYWZSFNBHGSCA-QJUACMODSA-N	421.541	4.927	50	20	HJGD	
O=C(Nc1ccccc1NS(=O)(=O)c1ccc(CCCl)cc1)c1cccs1	726521343	WHQHINRFLCRRCK-UHFFFAOYSA-N	420.943	4.583	50	20	HJGD	
Cc1c(Br)cccc1NS(=O)(=O)c1ccc(CCCCl)cc1	726932317	WNJJZITWLJHIMY-UHFFFAOYSA-N	402.741	4.730	50	20	HJGD	
COc1ccc(NNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1	729273801	FTYBCVYJKKKVAB-UHFFFAOYSA-N	400.434	4.534	50	20	HJGD	
O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1cccc2ncccc12	730146837	HAYYSXLELMQHEF-UHFFFAOYSA-N	402.435	4.635	50	20	HJGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)C[C@@H](C)N1C(=O)OC(C)(C)C	733184757	MHHMLTXDIVADPC-OAGGEKHMSA-N	402.626	4.557	50	20	HJGD	
CC(C)OCc1c(C(=O)NNC(=O)c2cccc3ccccc23)oc2ccccc12	741576096	LFDKGKIIQNYQAX-UHFFFAOYSA-N	402.450	4.586	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C3CCCCC3)[nH]n2)c1C	743455944	BEQVIEGQLNQQLU-MBTVCVBTSA-N	409.534	4.629	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccnc3C)c2C)cc1	744775415	XRQKTVSBAHAWEP-XSFVSMFZSA-N	400.482	4.742	50	20	HJGD	
N#Cc1ccc(NNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)cc1C(F)(F)F	746897309	UHKNRBYMCQESPN-HUUCEWRRSA-N	424.220	4.586	50	20	HJGD	
CCCOc1ccc(Br)cc1C=NNC(=O)c1cccc2cccnc12	747356772	XAYQGLRKMFLTNQ-UHFFFAOYSA-N	412.287	4.550	50	20	HJGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	748622459	DNHPYSQZHSCUHB-UHFFFAOYSA-N	402.401	4.766	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(OC)ccc2Br)c1C	749549883	OYXPRRXVJSKKST-YBEGLDIGSA-N	416.319	4.832	50	20	HJGD	
CC(C)n1nc(C(=O)NN=C2C[C@@H](c3ccccc3)C[C@@H](C)C2)c2ccccc2c1=O	749854375	NVKDPKUDGJUAEQ-MJGOQNOKSA-N	416.525	4.667	50	20	HJGD	
CCC(=NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)C1CCCCC1	750921527	KPYFLHJOKPOBNF-UHFFFAOYSA-N	416.525	4.521	50	20	HJGD	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cc1	757422995	UDFIHONORUGBCV-ZDUSSCGKSA-N	410.451	4.793	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c1	759322322	QAJJHVZPQJWMFT-UHFFFAOYSA-N	408.401	4.921	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1C	768174150	HWBPWKOVMZPCQT-CYEGBWLXSA-N	414.431	4.822	50	20	HJGD	
C[C@H](C#N)CSc1ccccc1NC(=O)NNc1ccc(OC(F)(F)F)cc1	770025030	MHOVKTPKHQUOID-GFCCVEGCSA-N	410.421	4.986	50	20	HJGD	
CC(C)Oc1cc(Br)ccc1C(=O)NNc1c(F)cccc1Cl	770197800	QPFXUSVNIOXMSD-UHFFFAOYSA-N	401.663	4.786	50	20	HJGD	
CC(=O)c1cccc(OCc2cc(C(=O)NNc3c(Cl)cccc3Cl)no2)c1	770778751	WRBGETRGEGRBDI-UHFFFAOYSA-N	420.252	4.520	50	20	HJGD	
CCO/C=C(\C#N)C(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1	771385086	QHHIMTXFPVYFEL-QZEGLACASA-N	422.378	4.525	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	773662423	WHGSNDWKIKJPHA-UHFFFAOYSA-N	410.437	4.732	50	20	HJGD	
CC[C@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(F)(F)F	773732450	AEJGBBJTRDQDAT-VIFPVBQESA-N	400.291	4.740	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc2ccccc2n1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	777462269	JPPQPKCGEXRACR-IIBYNOLFSA-N	420.513	4.580	50	20	HJGD	
Cc1cc(Cl)ncc1NC(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	806358177	SPEAUZSAQNNOPZ-UHFFFAOYSA-N	422.798	4.668	50	20	HJGD	
Cc1noc([C@H]2CCCCN2C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	807756796	XRDGVDOBFKSMCQ-FBHQFGEZSA-N	421.545	4.962	50	20	HJGD	
Cc1ccccc1-c1cc(C(=O)N(C)CC(Cl)Cl)c2cnn(C(C)C)c2n1	808245226	JNQMAEBFXZCMDV-UHFFFAOYSA-N	405.329	4.863	50	20	HJGD	
COCCOCc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	809145688	CZPJNJCGZUQYMR-CIAFOILYSA-N	401.491	4.909	50	20	HJGD	
Cc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1Br	812244651	FZFANTDWBRHBJQ-NYYWCZLTSA-N	423.064	4.887	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cnc(OC2CCCCC2)c(Cl)c1	815855204	IWXOEVPFARQMPG-UHFFFAOYSA-N	411.836	4.805	50	20	HJGD	
CCOC(=O)[C@@H]1CCCc2sc(NC(=O)CCCC[C@H]3CCSS3)nc21	817497672	XIWFXNBSDHOCMN-QWHCGFSZSA-N	414.618	4.779	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1Cl	833181225	NPNQKZAHSJYUMV-NVMNQCDNSA-N	412.921	4.918	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(Cl)cc3)c2C)c1	917144884	KIWIIUGJIYPGRY-LFIBNONCSA-N	406.873	4.697	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2cccc(C(=O)O)c2)c1)c1ccc([N+](=O)[O-])cc1	1318308006	MAQDMJOTBARCDF-JAIQZWGSSA-N	400.390	4.936	50	20	HJGD	
CCOc1ccc(NNC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)cc1	1347739691	WOWVKEZDUWORNO-UHFFFAOYSA-N	408.477	4.571	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3)CCC2)cc1	1786009775	LPWZHAPNSGVSNC-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)Br)CCC2)cc1	1790453365	AXSSQLWJNVBJDI-HNNXBMFYSA-N	407.352	4.650	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2ccc(C)cc2)n[nH]1	1822064153	BQXDORNAWZKNNR-VDZJLULYSA-N	416.953	4.531	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C)c2)CC1	1824614454	CSSVOLUKFJWLNP-PZJWPPBQSA-N	422.972	4.775	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)C(=O)c3ccccc3F)cs2)cc1	16883177	QVWGDKCSWIFNOR-RVDMUPIBSA-N	421.453	4.765	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1C	104918663	QUOHUAMSIJOCTK-MSTPFNHUSA-N	411.571	4.691	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccc(OC(F)F)cc1	727255205	KTFDCTYGPNZDCI-UHFFFAOYSA-N	418.831	4.508	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	728438926	CEUMYJDPGPRIAH-MDWZMJQESA-N	411.508	4.783	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	730204884	LTGOZPWWQXDNLX-FQEVSTJZSA-N	412.461	4.568	50	20	HJGD	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	731222331	QAOPQAGSAXMBJZ-ZDUSSCGKSA-N	408.329	4.705	50	20	HJGD	
N#Cc1ccccc1Sc1ccccc1C(=O)NNc1nc(-c2ccccc2)no1	732113080	KXMISGOJMMQTFL-UHFFFAOYSA-N	413.462	4.516	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ncccc3Cl)c2C2CC2)cc1Cl	734247640	UXNCTQJAJRHNEF-UHFFFAOYSA-N	402.285	4.517	50	20	HJGD	
CC1(C)Cc2cccc(/C=C(\C#N)c3nc(O)c4cc(Br)ccc4n3)c2O1	738289800	SEHZQZAJUNUFMT-RIYZIHGNSA-N	422.282	4.876	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2ccccc2SCC=C(C)C)cc1	741280869	IXIXDSVECRLHRM-UHFFFAOYSA-N	415.584	4.775	50	20	HJGD	
CSC1(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)CCOCC1	741977947	OIBQIRZYPOOVEH-XSFVSMFZSA-N	415.603	4.546	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNc3c(F)cc(F)cc3Br)c2)n1	741978159	ATSRYIYGBKOCSZ-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
CCOc1ccccc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	742007039	WPKOYZJBITVRCJ-UHFFFAOYSA-N	404.091	4.912	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)o1	746334990	GCQYKTFKQAIJOE-UHFFFAOYSA-N	419.466	4.810	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	746700680	NLFFEDLFNRNOEU-UHFFFAOYSA-N	416.737	4.580	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)CCOc3ccccc3)s2)cc1	747059616	VFNUEKCXWNJQOE-UHFFFAOYSA-N	414.918	4.768	50	20	HJGD	
CC(C)C[C@H](C)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	752231633	WPRFVYAPLNGHOR-IQFISFIMSA-N	409.921	4.575	50	20	HJGD	
CCc1nnc(S)n1CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752979982	VOJLJERQMMIQTG-UHFFFAOYSA-N	417.429	4.608	50	20	HJGD	
O=C(NN=Cc1cc(Cl)cc2cccnc12)c1cc(F)ccc1Br	763172289	KLGHVTFQBWADSK-UHFFFAOYSA-N	406.642	4.554	50	20	HJGD	
COc1ccc([C@H]2NC(=O)N(c3cccc(S(F)(F)(F)(F)F)c3)C2=O)cc1O	771856830	BHXUAJMLMRVKMC-CQSZACIVSA-N	424.347	4.856	50	20	HJGD	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	773163826	ZJCZBAYAAMJBLY-AWNIVKPZSA-N	409.335	4.660	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccccc1C(=O)c1ccc(F)c(F)c1	775276715	ULEWQHTUKMUPSW-UHFFFAOYSA-N	422.218	4.655	50	20	HJGD	
CC(C)(C)OCc1cc(CNC(=O)NNc2c(Cl)cc(Cl)cc2Cl)no1	777274218	HOFMFSIXEMAPOV-UHFFFAOYSA-N	421.712	4.776	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c(-c2ccc(C#N)cc2)n1	777869933	QQMWRFHHLOSDJZ-DHDCSXOGSA-N	422.275	4.811	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC3(CC2)OCCc2ccsc23)c1C	778956743	QFBSFHVYLHNDMJ-RCCKNPSSSA-N	423.582	4.574	50	20	HJGD	
Cc1cscc1NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	785004635	WNVYUPOLBYLYNW-AWEZNQCLSA-N	408.854	4.853	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12	785154312	HKOSITXAHJQKDN-UHFFFAOYSA-N	410.433	4.524	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1NC(=O)OC(C)(C)C	785224885	CWOWJHJWKJKVHO-PTNGSMBKSA-N	411.433	4.727	50	20	HJGD	
COc1cccc([C@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)c2ccccc2Cl)c1	787386576	DRWGILNSKHUFTJ-HKRNCWMRSA-N	418.880	4.867	50	20	HJGD	
CCN(CCCN1CCCC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	788916536	PSNOTGKCGSAXJY-UHFFFAOYSA-N	422.485	4.841	50	20	HJGD	
CCN(c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCOC)c2C)cc1)C(C)C	789986266	LOFPAHLLZDRMQO-QNGOZBTKSA-N	408.546	4.532	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2N(C)C)c1C	790138850	QDWZZIIYHCRFPX-YQYFLZKSSA-N	414.937	4.577	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cn(Cc2ccccn2)nn1	792547434	MRFXBXDSCPXEAT-UHFFFAOYSA-N	405.352	4.631	50	20	HJGD	
Cc1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)cc1NC(=O)c1ccccc1	798142230	OCZGMOLJACDTHH-UHFFFAOYSA-N	423.904	4.571	50	20	HJGD	
O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1	804877139	DVBDUUHIDDWHFM-QZTJIDSGSA-N	414.637	4.750	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1	813047903	IBKQTRXLJTYFSD-UHFFFAOYSA-N	407.436	4.695	50	20	HJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1ccc(F)cc1Br	815851544	KPUAGXNVVCPDAX-UHFFFAOYSA-N	416.088	4.724	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)cc([N+](=O)[O-])c1	817014064	PWUMUDRBSPAQKI-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
O=C(NNc1ncncc1F)c1cc(Cl)ccc1Sc1ccc(Cl)cc1	817079156	KKPYOTBSRNVCOV-UHFFFAOYSA-N	409.273	4.831	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c(C)n1CCC(C)C	897485645	JDHCDLMJXSOUQX-PXNMLYILSA-N	416.428	4.883	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(C(C)C)cc2)c(C)n1C[C@H]1CCCO1	914483461	YMMCCRLVHTVITJ-JDQXFBDKSA-N	405.542	4.631	50	20	HJGD	
C=CCOc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OC	915850539	AKLJBYQEQFCWLN-PTNGSMBKSA-N	419.506	4.913	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1	916518274	OZJKRLLIDAASSC-QGZVFWFLSA-N	421.900	4.609	50	20	HJGD	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1	916735905	KYUAWXMPAVPONQ-CYBMUJFWSA-N	409.313	4.654	50	20	HJGD	
CC(C)N1CCC(NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	918184538	HWSTUNHAIZTMSD-HNNXBMFYSA-N	409.905	4.900	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc2OC)cc1	918714434	VLKWQPNLCLBXIB-UDWIEESQSA-N	421.493	4.973	50	20	HJGD	
CCCN1CC[C@H](CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	919796730	KESJYMQRQDVTRW-IUODEOHRSA-N	409.905	4.759	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(Cl)nc(Cl)n2-c2ccccc2)cc1	920065482	YPKTYQCVFCPJFV-ACCUITESSA-N	413.264	4.733	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1OC	921259599	VFSYZBZAFPALOJ-MLPAPPSSSA-N	421.280	4.914	50	20	HJGD	
CCOC(=O)C[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	1343110900	VHBSUXMMFDLTPI-XHDPSFHLSA-N	424.872	4.855	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1	1786442306	GKCXDDUZACZXRP-LJQANCHMSA-N	402.922	4.754	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)c3ccccc3)cc2)CCC1	1786614030	XTXFBSKEFSDRIR-OALUTQOASA-N	402.897	4.849	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCBr)CCC2)cc1	1789451692	SMXSUFGYZIGWAM-SFHVURJKSA-N	419.363	4.674	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)CC3CCCC3)CCC2)cc1	1790491503	CKWPTONSFJWYGA-HXUWFJFHSA-N	411.373	4.937	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/Sc1ccc(C)cc1)C2	1793682947	PDVGSXJEVNVASG-YIKIPTBTSA-N	421.006	4.647	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1	1815319994	TURYMGOIXCAYOZ-SOLBZPMBSA-N	406.958	4.556	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2)n[nH]1	1816959208	BBEWKXIDUXIJPJ-LNJMBMCMSA-N	414.937	4.523	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2C)c1C	24013093	YJJSAPPMWFMBCA-ISXGRJCASA-N	421.541	4.999	50	20	HJGD	
CCc1ccc(C(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)cc1	24160351	ARLWFDJLGOBGAQ-AGSFVOOMSA-N	422.525	4.596	50	20	HJGD	
O=C(COc1ccccc1OCc1ccccc1)NNc1ccccc1C(F)(F)F	303305471	PNNSEUWGNAGMRR-UHFFFAOYSA-N	416.399	4.807	50	20	HJGD	
CN(CCc1cccc2ccccc12)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727846667	HYHKORXMYOGXND-UHFFFAOYSA-N	416.308	4.676	50	20	HJGD	
Cc1ccc(C(C)(C)CNC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	728484310	KUWBUXXHAMGITD-XPCGLTFESA-N	419.569	4.593	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc2cc(Br)ccc2[nH]1	729515053	BDMUFAJMIMBJLL-UHFFFAOYSA-N	415.678	4.889	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1OC	730434939	WVQFOMPXHIPKEF-XYOKQWHBSA-N	410.779	4.922	50	20	HJGD	
N#C/C(=C/c1ccc(OC[C@H]2CCCO2)cc1)C(=O)c1ccc(Br)s1	730436807	MHKAMENIMXBEFR-SCOADAFUSA-N	418.312	4.858	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1	730595807	FTHXNSCUXCSGCB-LSDHHAIUSA-N	408.354	4.732	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731015736	DCPQJMCHRZKHCG-CJLVFECKSA-N	403.526	4.545	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)/C(=C/c1ccc(F)cc1)c1cccs1	732112501	AGRCHYQTGAVESO-GHRIWEEISA-N	406.442	4.621	50	20	HJGD	
Cc1nc2c(s1)[C@@H](N(C)CCP(=O)(c1ccccc1)c1ccccc1)CCC2	732213252	AEJQOJYOXYZWHI-QFIPXVFZSA-N	410.523	4.775	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1	733934473	SALXWDYTVGNDNR-UHFFFAOYSA-N	411.868	4.673	50	20	HJGD	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1	734552354	QWQHOKKTIFJIJP-UHFFFAOYSA-N	401.319	4.664	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)c1occc1CSc1ccccc1	741573896	LPNSIFDMMKGZPG-UHFFFAOYSA-N	402.475	4.800	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)c1cccc2ccccc12)c1ccccc1C(F)(F)F	741575808	NMPVYBLRIDOOOA-CQSZACIVSA-N	400.400	4.813	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CCN(CC3CCCCC3)CC2)c1C	744019078	NYCLFXYAOHDUJE-XQNSMLJCSA-N	410.606	4.583	50	20	HJGD	
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C(/C#N)C(=O)OC(C)C)cs1	745997742	DISMFVAHCJIETM-QPEQYQDCSA-N	423.416	4.705	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCCC(=O)O)c3)n2)cc1	746684162	KXZFPHDTFBKABR-GZTJUZNOSA-N	406.463	4.736	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(Cl)ccc1OC(F)F	748073732	WOUUBUIYQDGLER-UHFFFAOYSA-N	409.589	4.600	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(OC(F)F)cc3)c(F)c2)c(F)c1	748644837	WETWMJWHNPOLOF-UHFFFAOYSA-N	420.362	4.999	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)c2ccccn2)c1C	751107889	OLOFCGKFKDMKTM-LDADJPATSA-N	404.436	4.803	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(OC(C)C)c(OC)c1	753167710	CMFWQYIZYRUBFZ-UHFFFAOYSA-N	407.308	4.564	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1csc(-c2ccccc2Cl)n1	754470761	PKMTWESGXLDYAZ-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc(F)cc(C(F)(F)F)c1	755349048	JUTBJPWOLKWJPZ-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
N#C/C(=C\c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1nc2ccccc2nc1Cl	755407449	LQQXHAIQYALQSN-YRNVUSSQSA-N	420.753	4.987	50	20	HJGD	
Cc1c(C(=O)NNc2nc(C(F)(F)F)cs2)oc2ccc(Br)cc12	755855782	BXGRYBFYNKTLCL-UHFFFAOYSA-N	420.210	4.736	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2CSc2nc(C)cs2)c1	759319392	NDBLRCDMKUZCJF-UHFFFAOYSA-N	403.504	4.648	50	20	HJGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)[C@@H](C)C1	761249937	MEOVEQCXJNDOHE-JKSUJKDBSA-N	419.481	4.580	50	20	HJGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)C(=O)Nc1nc2ccccc2nc1Cl	761390061	BFAZZNSTUIEYOW-CLFYSBASSA-N	408.792	4.909	50	20	HJGD	
CC1(C)CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@H]1C(=O)O	766329758	XRJYYJJKTLJLAK-LBPRGKRZSA-N	423.425	4.608	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NNc1nc2ccccc2s1	769984755	XPZKWUNUKBAGAE-HNNXBMFYSA-N	423.542	4.768	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c(OCc2cccnc2)c1	773173593	YHQXGSBMOQXHBC-WSVATBPTSA-N	406.388	4.737	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCSC(C)(C)C)c(C)n1C[C@@H]1CCCO1	775295120	ZBWMORJVGJNYSN-ACSPXDACSA-N	404.576	4.656	50	20	HJGD	
CC(C)n1cnnc1-c1ccccc1NC(=O)NNc1ccc(C(F)(F)F)cc1	775667819	VZFUVNPJHFWNNZ-UHFFFAOYSA-N	404.396	4.693	50	20	HJGD	
C[C@@]1(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO[C@H]1C1CC1	778062491	UDGNJZRPYWRLSQ-UONOGXRCSA-N	407.426	4.580	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)C3CCCC3)cc2OC)cc1	781554870	ABCJWAODDAJUEI-BKUYFWCQSA-N	419.477	4.727	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1ccnc(C2CC2)c1	783052264	VYKXUEWRMMXAPE-UHFFFAOYSA-N	401.091	4.785	50	20	HJGD	
C/C(C=NNC(=O)c1sc(-c2ccccc2)nc1C)=C/c1cccc([N+](=O)[O-])c1	787151908	AMNCITWEAJKVAH-KXWGFZHJSA-N	406.467	4.846	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)o1	789748876	ZRCBCBRCRAIILD-UHFFFAOYSA-N	404.348	4.705	50	20	HJGD	
Cc1nc2c(C(=O)NNc3ccc(Br)cc3C(F)(F)F)cccc2o1	792160695	ZUPMGKVAFXWXFQ-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1CCC(F)(F)F	792434386	IALQOUNZVUCUFI-UHFFFAOYSA-N	420.218	4.570	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1	792866454	GJQZVMNJVADDAW-NRFANRHFSA-N	402.655	4.795	50	20	HJGD	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNc1ncnc(Cl)c1C(C)C	798143216	JOSQWDOGKZZBRC-UHFFFAOYSA-N	419.913	4.505	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cccn2-c2c(Cl)cccc2Cl)o1	798936856	HZGJZXGFMPOQOS-UHFFFAOYSA-N	404.257	4.524	50	20	HJGD	
O=C1OCc2c(NS(=O)(=O)c3cccc(S(F)(F)(F)(F)F)c3)cccc21	808128028	BEPHLELOSKUQNO-UHFFFAOYSA-N	415.361	4.815	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1	812533857	WSEKCFKQWHAFNC-SNVBAGLBSA-N	403.198	4.595	50	20	HJGD	
N#C/C(=C/c1cc2c(cc1Br)OCO2)c1nc2ccccc2n1C(F)F	818260917	SLOASIJIRXTZQP-WZUFQYTHSA-N	418.197	4.987	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNc3ccccc3Cl)cc12	912646140	AFSHGIQXNWRSHJ-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1Br	917549964	NIKXYNBPDSYRPO-UHFFFAOYSA-N	422.254	4.615	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1	918686345	WGAMIKBLZQHPBO-JXAWBTAJSA-N	415.449	4.785	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCN(C(C)(C)C)CC2)c(C)n1-c1ccc(F)cc1	919851434	VERIUGQPFRBMJZ-HMMYKYKNSA-N	422.548	4.519	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1C	921015034	YXQLRWSDZPNWHW-GNFOSXPUSA-N	407.558	4.531	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3ccc(O)cc3OC)n2)cc1	1248491450	LIRPYBXAAKADRA-YVLHZVERSA-N	405.479	4.632	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](F)c3ccccc3)cc2)CCC1	1786614031	XTXFBSKEFSDRIR-RBUKOAKNSA-N	402.897	4.849	50	20	HJGD	
Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)c1	1788582348	JRZMSURNPIANLS-HXUWFJFHSA-N	402.897	4.596	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)CCC1	1788950520	WEKJVZNNRDRGPN-LJQANCHMSA-N	424.932	4.718	50	20	HJGD	
C[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CC=CCC3)CCC2)cc1	1791436603	UPTWIJXWWDAHRY-MGPUTAFESA-N	419.363	4.650	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1	8054176	ZCTNRJIIMBZNAO-DEDYPNTBSA-N	414.417	4.972	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)c(Br)cc1O	214125952	BOFCMFRVZJLELA-VIZOYTHASA-N	415.287	4.634	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)c1Cl	254412088	IMZSDIFWVOYVLA-UHFFFAOYSA-N	412.491	4.695	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCC1(N2CCSCC2)CCCCC1	303434868	FVUCYNCYPOIBGO-QGZVFWFLSA-N	402.695	4.568	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1	303526390	GCUOWQGZZVXVSR-UHFFFAOYSA-N	405.285	4.832	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(n3ccnc3)CC2)c(C)n1C1CCCCC1	726160670	LSLYKYFTSZNLCP-QNGOZBTKSA-N	405.546	4.577	50	20	HJGD	
CC[C@H](C)[C@H](C(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	728832712	PAIYKUKOMBPIBY-SJCJKPOMSA-N	423.738	4.693	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2nc3ccccc3n2C(C)C)c(C)n1CC(C)C	736218884	SLPDCECXPIXWNK-CIAFOILYSA-N	417.557	4.915	50	20	HJGD	
COc1cccc(-c2noc([C@H](C)NC(=O)CCCC[C@H]3CCSS3)n2)c1	742925610	MGZRDUUFEKHSHZ-BBRMVZONSA-N	407.561	4.637	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)c1C	744369397	HCTAQORTGMYUHE-WTHMZRQVSA-N	419.569	4.761	50	20	HJGD	
CC(C)C[C@H](NC(=O)NNC(=O)c1cccc2ncccc12)c1ccc(Cl)cc1	745837330	DCIMGIOJBAWOPY-FQEVSTJZSA-N	410.905	4.620	50	20	HJGD	
COC(=O)Nc1cc(C(=O)NNc2cccc3c2CCCC3)cc(C(F)(F)F)c1	748594777	YMMGAOLRRMLOCY-UHFFFAOYSA-N	407.392	4.519	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2coc(-c3c(F)cccc3F)n2)cc1	751640799	YHHIZCPCNJQHBP-XNTDXEJSSA-N	410.376	4.669	50	20	HJGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1	755429228	DGHKVDKDPNIHMN-UHFFFAOYSA-N	420.332	4.553	50	20	HJGD	
CC(C)c1nc2ccc(NC(=O)NNC(=O)c3cc(-c4ccccc4)on3)cc2s1	756249912	QUPANHGTWJVVMJ-UHFFFAOYSA-N	421.482	4.541	50	20	HJGD	
Cc1cccc(C(=O)NNc2c(F)cc(F)cc2Br)c1Br	757031420	SMAOLIBGYMIQPD-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ccc(F)c(F)c3F)cc2)cc1	760483698	JOEQTKNYMHCIFO-UHFFFAOYSA-N	400.356	4.856	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2cc(Br)ccc2o1	761600485	XJDDAIMQGAAIJK-UHFFFAOYSA-N	415.165	4.851	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2cc3cc(Br)ccc3[nH]2)cc1	768613392	ZESWPUWILKKHLX-CXUHLZMHSA-N	424.298	4.552	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	769974602	PPXQDWRSLAUTDK-SECBINFHSA-N	418.737	4.565	50	20	HJGD	
COc1ccc([C@@H](CN2CCCC2)NC(=O)CCCC[C@H]2CCSS2)cc1	770537106	VXFUTNPKRHXQJX-VQTJNVASSA-N	408.633	4.662	50	20	HJGD	
C[C@@H](CBr)CN[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1	770668085	VLLHSYIIOQWDEA-LSDHHAIUSA-N	407.327	4.689	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cn(C)nc1-c1ccccc1	771520328	MJDSJOVTNKYQLG-YBEGLDIGSA-N	406.873	4.603	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1cc2ccccc2n1Cc1ccccc1F	771591524	CNQXDDIUXXLDJN-UHFFFAOYSA-N	422.391	4.633	50	20	HJGD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772954086	NHGFJQCMAHSDSO-UHFFFAOYSA-N	410.364	4.647	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1cccc(Br)c1	778390548	BQOOTJNAZMRMCS-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NNc1cc(Cl)ccn1	778446612	VTDKWFLINPOUND-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1	780803937	SHDOVMOZYXVVRF-UHFFFAOYSA-N	404.392	4.810	50	20	HJGD	
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1c(Cl)ccc2cccnc12	781113423	BBUCROHHEXGMSM-UHFFFAOYSA-N	408.672	4.724	50	20	HJGD	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)CC)cc1	786042982	OMENTOZKDQHCKK-STZFKDTASA-N	423.563	4.950	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	787051381	XGWQRSZBPQCZFY-DAKPFUFHSA-N	406.844	4.997	50	20	HJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cn(C(C)(C)C)nn3)n2)cc1C	790211393	RTGIHOPPYGKZCD-CXUHLZMHSA-N	420.542	4.628	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2cnc3ccccc3n2)cc(Br)c1OC	790227425	IGXRVPCOOXMFHT-RIYZIHGNSA-N	410.271	4.864	50	20	HJGD	
CCOC(=O)c1csc([C@@H]2CCCN2C(=O)CCCC[C@H]2CCSS2)n1	791913916	OWHWNWDCWUAEPU-ZFWWWQNUSA-N	414.618	4.697	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)N1CCCCC1	792210972	YYPNWHJQLYCOFV-UHFFFAOYSA-N	407.301	4.768	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](c3ccnn3C)C2)c(C)n1C1CCCCC1	801064143	FUICILVKFNYBAQ-INKLHFNDSA-N	419.573	4.657	50	20	HJGD	
O=C(NNc1ncccc1F)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	806217383	IZWSEBDLESYJBT-JTQLQIEISA-N	401.294	4.655	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)cc1	807211952	LCQQVDXEURMRNJ-UHFFFAOYSA-N	404.392	4.810	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc(-c2ccccc2C(F)(F)F)on1	812550152	SJCLNSANRLJMIW-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
Cc1c(CC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1[N+](=O)[O-]	817017082	XKNNMQCQGQZMCO-UHFFFAOYSA-N	421.297	4.627	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1	817890326	ZDXZYNRGNIRADU-UHFFFAOYSA-N	418.522	4.816	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc2cnn(C(C)C)c2nc1Cl	873875308	WSFJGDJYRUYZFU-DHDCSXOGSA-N	409.877	4.610	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)cc1	915196669	ONBWJUOBAFJBBY-IZQLPPHKSA-N	408.498	4.665	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(SC(F)F)cc2)c1C	916056223	QSOYGEDPZHMJSU-WOJGMQOQSA-N	420.481	4.716	50	20	HJGD	
CCOc1cc(C=NNC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1OC	916295519	VUBWMQIENPWNBH-UHFFFAOYSA-N	422.456	4.576	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2cn(CCC#N)c3ccccc23)cc1OC	916347759	KOYZPEATODRXPL-UHFFFAOYSA-N	418.497	4.506	50	20	HJGD	
O=P(CCN1CCC[C@H]1Cc1ccc(F)cc1)(c1ccccc1)c1ccccc1	917831496	CPQXELCGLUYASM-QHCPKHFHSA-N	407.469	4.847	50	20	HJGD	
Cc1ccc(NC(=O)[C@@H](NNC(=O)c2ccc3ccccc3c2)c2ccccc2)cc1	917937211	DJSPCGUYAIHNDI-DEOSSOPVSA-N	409.489	4.763	50	20	HJGD	
CCCn1cccc1C=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	918153255	BESXTBGQPJDFDS-UHFFFAOYSA-N	417.538	4.831	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)cc1	918583987	NWCYKCRYQFKCBC-RGEXLXHISA-N	412.493	4.900	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)nn1	1327046874	BMTHHZSJFDCWOT-UHFFFAOYSA-N	404.301	4.833	50	20	HJGD	
CCc1ccnc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)c1	1786011828	BTRQEAYDBQPAHQ-UHFFFAOYSA-N	413.949	4.657	50	20	HJGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1791161110	SIRUWBTZQGSLCF-LIRRHRJNSA-N	420.887	4.673	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1	1820561097	VACZNBXFKYKDMR-MRXNPFEDSA-N	423.344	4.634	50	20	HJGD	
CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2)c(OC)c1	40889066	VFEXRPCTGIUNSQ-SXGWCWSVSA-N	416.271	4.507	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2C(C)C)c(C)n1CC(C)C	212289394	XBNRIALOFQQEFK-MTJSOVHGSA-N	421.541	4.973	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)c1C	213740613	ZLTZESZOQWIBFE-UOIFGXKSSA-N	407.514	4.609	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cccnc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	254342030	NKGLUXQUDPWXDT-UHFFFAOYSA-N	420.822	4.925	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)o2)cc1	727792337	AFCBDKMRUFGPHT-UHFFFAOYSA-N	417.248	4.531	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNc3ccc(F)c(F)c3F)cc12	728718714	QGKVVZUISULXEB-UHFFFAOYSA-N	420.391	4.709	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1	733083797	QRFLPPRQZLGHQQ-YBEGLDIGSA-N	404.451	4.826	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCSC[C@H]2c2ccccc2)c1C	734396374	GKQABVRQHBUOST-LUMUHCBBSA-N	423.582	4.536	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)c2)n1	739552311	VNBCPDVNMNEOBK-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NNC(=O)c1cccc(OC(F)F)c1	740911609	PIUMEQGHWMXEEP-OAHLLOKOSA-N	417.456	4.506	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)o1	741209934	QYOMZVGLDDMZNA-UHFFFAOYSA-N	419.485	4.911	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C(F)(F)F	742517092	ZQRXPUHBHSVRSV-LLVKDONJSA-N	421.806	4.515	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2cccnc2)c(C)n1-c1ccccc1F	743723450	UZHIBNJWYCKZGX-OJSPLJLUSA-N	402.473	4.755	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC[C@H]1Cc2ccccc2NC1=O	748669787	MYDASABLTHGKEJ-SFHVURJKSA-N	407.539	4.914	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc(C#N)cc1	749063705	PGGRWKMCAUVDBB-QWQBBLJPSA-N	421.460	4.547	50	20	HJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	749465671	BPCYXAOLNMNTKZ-NOAOUHAHSA-N	408.405	4.814	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1OCC(F)(F)F	750895459	HNXMPNWYAJUCCD-GDNBJRDFSA-N	401.388	4.977	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1	751876887	RYNOKFRQWSSRST-CPNJWEJPSA-N	414.440	4.693	50	20	HJGD	
CCSc1ccccc1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	751990619	ALHGGXYLIPFXHW-UHFFFAOYSA-N	400.500	4.741	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccccc1C(=O)c1cccs1	754151142	XJAQJZHICXOMSX-UHFFFAOYSA-N	408.376	4.894	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1	757634240	INYCEOHUJCMKPZ-ZHZULCJRSA-N	410.477	4.546	50	20	HJGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)C(=O)Nc1nc(-c2ccncc2)cs1	767717451	MFWJKQCCSBLMDH-DHDCSXOGSA-N	407.524	4.865	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)n2)cc1	768245945	BSRQAIXRHMDDJW-UHFFFAOYSA-N	413.437	4.513	50	20	HJGD	
COc1cc(N[C@H]2CCCN(C(=O)CCCC[C@H]3CCSS3)C2)cc(OC)c1	769243810	YSWWERKDMYUNDL-JXFKEZNVSA-N	424.632	4.821	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1ccnc(Br)c1	771551673	KDGFSNOMPRGCFD-UHFFFAOYSA-N	423.723	4.686	50	20	HJGD	
N#C/C(=C\c1cc(O)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1	772805805	JDANNNJRINCEEE-FOWTUZBSSA-N	401.378	4.638	50	20	HJGD	
N#C/C(=C\c1ncc(-c2cccc(Br)c2)[nH]1)C(=O)c1cc(F)cc(F)c1	773169374	AHQHIMFDERGBOO-NTUHNPAUSA-N	414.209	4.907	50	20	HJGD	
O=S(=O)(NCCCc1ccc(O)cc1)c1cccc(S(F)(F)(F)(F)F)c1	777968198	ULIMZLRTYYFQNT-UHFFFAOYSA-N	417.421	4.961	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Br)c1cc2cccc(Cl)c2o1	779147292	ZMPLQUDLCBEJJP-UHFFFAOYSA-N	410.611	4.514	50	20	HJGD	
O=C(CN1C(=O)COc2ccccc21)Nc1ccc(S(F)(F)(F)(F)F)cc1	782118098	QBNMWIPGBYLMET-UHFFFAOYSA-N	408.348	4.708	50	20	HJGD	
CCCCc1ccc(NC(=O)C(=O)NNc2nc3cc(Cl)ccc3cc2C)cc1	785165039	OAGMRGLIMNSWHC-UHFFFAOYSA-N	410.905	4.621	50	20	HJGD	
C[C@@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@@H]([C@@H](C)O)C1	785532859	CTEXZTHZQYXOLG-JTNHKYCSSA-N	409.442	4.514	50	20	HJGD	
CCOc1cccc(/C=C(/C#N)C(=O)N[C@H](CC)c2ccccc2)c1OC(F)F	787141468	NQIJUVPONJHSOR-MTMYEVCSSA-N	400.425	4.861	50	20	HJGD	
CCc1cccc(COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1	787555847	PENCFWUCCHYDIA-PXLXIMEGSA-N	410.477	4.677	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2c(F)cccc2OC(F)(F)F)cc1	789148482	PUXCFITXTFKEIQ-GVIGZQTCSA-N	408.351	4.517	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3cc(Cl)cc(Cl)c3)cc(C3CC3)nc21	791728495	LEZCQRQGSGIJCV-UHFFFAOYSA-N	404.301	4.953	50	20	HJGD	
CC[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC)c(OC)c1	796255031	MRFVWANEOCQBBK-HSZRJFAPSA-N	423.493	4.759	50	20	HJGD	
CC(C)NC(=O)/C(C#N)=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	915848804	BOKHOUTYNHMLDV-ZSOIEALJSA-N	402.281	4.677	50	20	HJGD	
CC(CCc1ccc(O)cc1)=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	915905637	YKKDARHYTGMBRX-UHFFFAOYSA-N	424.504	4.983	50	20	HJGD	
COc1ccc(C(C)=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1	916293810	IKUJBXUYFGKYEQ-UHFFFAOYSA-N	420.538	4.548	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(N3CCCC3)cc2)c1C	918566696	YWCMIGJBXCFOJW-KQWNVCNZSA-N	404.558	4.729	50	20	HJGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C1CC1	920054399	PMKKEJFSAVWKIX-AWEZNQCLSA-N	417.962	4.622	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c(C)n1CC(C)C	920232943	RCVXSOYVGXDVFD-WRRACLCMSA-N	419.569	4.952	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Oc1ccc(C(=O)Nc2cccnc2)cc1	921034554	XINONEYLKGRCAY-SFHVURJKSA-N	402.541	4.953	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H]2CCSc3ccccc32)c1C	1344597022	RKNMKFJMMWBIFW-ULLHUGNTSA-N	410.539	5.000	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1)C(Cl)Cl	1791605181	AGPWCYPYPFYWTO-UHFFFAOYSA-N	419.299	4.750	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816690888	TWPPPAYUARPZSA-KRWDZBQOSA-N	408.974	4.637	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2)CC1	1829997307	FORYSJMGEFWBFW-NHCUHLMSSA-N	404.982	4.636	50	20	HJGD	
C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1)c1ccccc1	1832888948	HDLBCNPBVQVTRD-WIYYLYMNSA-N	419.009	4.675	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCN(C(=O)CCC2CCCCC2)CC1	302925468	AECNXKDVNJJEOZ-LJQANCHMSA-N	412.665	4.732	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC3(CCCCC3)CC2)c(C)n1C[C@@H]1CCCO1	726514750	NMQFKQAECRSJMY-GTRUEHEQSA-N	409.574	4.764	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl	727799827	UIIFTVQHIMWTOV-RYUDHWBXSA-N	418.107	4.865	50	20	HJGD	
C#Cc1cccc(N(C(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)C(C)C)c1	728247845	JOZFSGQVRHIMGW-XXMKCSCWSA-N	415.537	4.614	50	20	HJGD	
C/C=C/COc1ccc(CCC(C)=NNC(=O)c2cccc(OC(F)F)c2)cc1	728434645	KYNANTBJICWYJA-XJAYNBJNSA-N	402.441	4.981	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H](CO)c1ccccc1	729554310	ZWPZXEFTRJYAHT-HIFRSBDPSA-N	404.841	4.761	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(\C#N)C(=O)c3ccccc3F)cc2)oc1C(=O)O	729937214	OGCVWCCUDSOUQY-LFIBNONCSA-N	405.381	4.794	50	20	HJGD	
Cc1nc(-c2cccs2)sc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	732977623	OBAMVKXOQXGXIT-UHFFFAOYSA-N	417.903	4.640	50	20	HJGD	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NNc1ncccc1Cl	734246464	WBMKPLIKAWOOBP-UHFFFAOYSA-N	424.719	4.530	50	20	HJGD	
CCCCC1CCC(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1	734257613	HUHSOLYKXUURSI-UHFFFAOYSA-N	421.467	4.997	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c3nccs3)c2C)c1	734805259	MDUQEZICRHORIF-UYRXBGFRSA-N	404.539	4.818	50	20	HJGD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	737768428	SQRBNSKVEINHKQ-SNVBAGLBSA-N	419.230	4.652	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1csc(-c2ccc(F)cc2)n1	739315281	YAMUBVRHXAXSJH-UHFFFAOYSA-N	423.219	4.839	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)c3cccc4ccccc34)cc2)oc1C	743807091	DKAULNAGAOYQOT-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
Cc1ccc(N2CCOC2=O)cc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	744381970	GIQJWGMHVLFWMN-RGVLZGJSSA-N	420.513	4.572	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2cnccc12	745988855	BDPZHJVRPFKCFW-UHFFFAOYSA-N	424.835	4.538	50	20	HJGD	
N#Cc1cccc(OCc2cccc(C(=O)NNc3ccccc3Br)c2)c1	748070380	NQKAURBSVUFDNG-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)NNc1ccc(OC(F)F)cc1	748659836	UHNRGMJMQSRCHA-UHFFFAOYSA-N	423.416	4.528	50	20	HJGD	
O=C(/C=C\c1nc2ccccc2s1)NNc1ccc(Br)cc1Cl	748776921	ZDFXKGBHZXNQCU-FPLPWBNLSA-N	408.708	4.869	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c(C)n1CC(C)C	760831245	BYIDWMWKZLFABK-RHLNUJDMSA-N	417.513	4.595	50	20	HJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCC(=O)O)c(OC)c2)cc1	763367155	AEKSZIRCLQMCIS-CXDFQFJYSA-N	422.481	4.608	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)c(C)c1	766555799	PFRBQAMSDCMUCG-VQIMIIECSA-N	405.608	4.777	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1Oc1ccccc1)c1nnc(O)c2ccccc12	769570169	XNZMLPLXEBZMPZ-UHFFFAOYSA-N	418.840	4.545	50	20	HJGD	
Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)NNc2ncccc2Cl)n1	769956959	IDSAZUCBLJATTJ-UHFFFAOYSA-N	424.814	4.705	50	20	HJGD	
CCN(CC)C(=O)c1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1Cl	771102413	BQQBYOWRVVPMHR-UHFFFAOYSA-N	413.280	4.763	50	20	HJGD	
COCc1c(Br)cccc1NC(=O)NNc1c(F)cccc1Cl	771137449	YBKNNHQJDNAOAT-UHFFFAOYSA-N	402.651	4.537	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(F)cccc1Cl)c1noc(-c2ccc(Cl)cc2)n1	771335550	WZYRNPGQZRWZIC-SECBINFHSA-N	410.236	4.570	50	20	HJGD	
Cc1nc(-c2cccs2)sc1C(=O)NNc1ccc(Br)c(F)c1	771682496	VUSFDLGTULWSFF-UHFFFAOYSA-N	412.309	4.839	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	771842297	RAALYTNCDSCGHY-NTUHNPAUSA-N	408.351	4.756	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1sc(-c2ccco2)nc1-c1ccccc1	774769081	BQYIJNVKNBUCRG-UHFFFAOYSA-N	413.462	4.770	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(C(F)(F)F)cn3)c3ccccc3n2)o1	775251252	OIZKRABLIRGCHZ-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(F)cc1OCC(F)(F)F	775619831	JFBQVCQINWYVCH-UHFFFAOYSA-N	413.158	4.617	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1cccc(OC)n1)c(C)n2C1CCCCC1	780772983	LEIFWKAUPGZLBX-UHFFFAOYSA-N	408.502	4.624	50	20	HJGD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H](Br)C(C)(C)C	781068884	RMKHPGHGHHDTBK-CQSZACIVSA-N	424.166	4.590	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(SC)cc2OC)c1C	785397803	NQKORKSFZWZCAP-YQYFLZKSSA-N	413.543	4.589	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(OCCOC(C)C)c1	789845421	GUKAAARYPYPNKN-UHFFFAOYSA-N	400.519	4.553	50	20	HJGD	
COc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)ccc1OCc1cscn1	791729133	RMSPHEAOMYUZER-UHFFFAOYSA-N	424.309	4.794	50	20	HJGD	
O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NNc1cc(Cl)cc(Cl)c1	791733458	KSLCCNZXIKYLMK-UHFFFAOYSA-N	417.252	4.866	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N(CCO)Cc1ccc(Br)s1	792022269	VOPYUQKRTLVCCZ-LBPRGKRZSA-N	424.451	4.546	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccc(Br)cc1F	795192386	LCIVOQSUCPOXQR-UHFFFAOYSA-N	424.657	4.962	50	20	HJGD	
Cc1cc(NNC(=O)c2c(Br)sc(C)c2C)ccc1Br	799705929	RTMQNBPRXZEWGV-UHFFFAOYSA-N	418.154	4.955	50	20	HJGD	
Cc1ccc(Cl)cc1C(=O)NNc1c(Br)cccc1Br	801500896	DFIYAQPCGPCOMZ-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1C(F)(F)F	802830439	WZBDMTJFBPDGTP-UHFFFAOYSA-N	424.382	4.586	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cc(-c2ccc(F)cc2)nc2ccccc12	803437869	UBWNNXUZAYOMNI-UHFFFAOYSA-N	424.435	4.639	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)[C@H]1C[C@@H]1c1ccc(F)cc1	804208134	YZFXBIPDDQJASJ-SJORKVTESA-N	416.378	4.548	50	20	HJGD	
C[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@@H](O)c1ccccc1	808339626	VDTYAYJNHRTVNE-XHDPSFHLSA-N	417.421	4.744	50	20	HJGD	
CC[C@H](NC(=O)NNc1ccc(Br)cc1Cl)c1nc(C)cs1	812030944	RRPXBIQJVCQTNT-NSHDSACASA-N	403.733	4.645	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)cc1C	812716382	KVTHBANDUFQJPB-UHFFFAOYSA-N	420.513	4.547	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cc(C)n(Cc3ccco3)c2C)c1C	915850750	WJCNKJHFPGKIFV-ODLFYWEKSA-N	419.481	4.658	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)c2ccccc2n1	915922136	BDBHODRKEVBKDV-UHFFFAOYSA-N	421.863	4.594	50	20	HJGD	
CCNC(=O)c1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	916081015	RLMZVQSJHIZFGL-XKZIYDEJSA-N	420.557	4.755	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(Br)cc1	916349892	XRZHNNSIPAAJGQ-UHFFFAOYSA-N	400.301	4.645	50	20	HJGD	
COc1cc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)ccc1OC(C)C	916349905	YISKNDHCXJIYNC-UHFFFAOYSA-N	409.511	4.678	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(-c3ccccc3)cs2)c1C	917949751	KEKMJFHOACAUFQ-UDWIEESQSA-N	421.522	4.525	50	20	HJGD	
COC(=O)N(C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	919893462	GCONZWAURLUJBI-XDHOZWIPSA-N	408.502	4.509	50	20	HJGD	
CC(C)(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)c[nH]1	1787039533	CLEIRUWQENRNBM-KRWDZBQOSA-N	405.901	4.594	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)CCC1	1791533520	NDYSBAVVUMDASH-NJYVYQBISA-N	410.945	4.942	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2cccs2)n[nH]1	1814412771	BPUOTJDVZAMHDV-FZDCUMRKSA-N	420.966	4.584	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](CC)c2ccccc2)n[nH]1	1816745440	ZLNSXUJJOVPNHI-JENIJYKNSA-N	416.953	4.613	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)ccc1O	8200091	ZISRARFSNJJISZ-CXUHLZMHSA-N	405.479	4.687	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccccc1F	28941412	LJQALAAEGRODAL-GHRIWEEISA-N	416.408	4.599	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc12	115304897	TVDKAFFKEYWKIQ-UHFFFAOYSA-N	405.332	4.532	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cccc(NC(=O)C(F)(F)F)c2)c(C)c1	214376757	AFEDUQVCGAOHJQ-SXGWCWSVSA-N	401.388	4.658	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C(=O)NNc3ccccc3C(F)(F)F)c2Cl)cc1	301219177	YAKSFQZHEXBTIR-UHFFFAOYSA-N	422.838	4.977	50	20	HJGD	
COc1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)s1	725745129	WTBVDWRKZGCGMJ-UHFFFAOYSA-N	400.887	4.606	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)o1	726770685	ARXKQBFOMCRQBQ-UHFFFAOYSA-N	406.511	4.989	50	20	HJGD	
CCOc1c(Cl)cc(C=NNC(=O)c2c(Cl)cccc2Cl)cc1OC	727779040	MJSPMCINGZGNIF-UHFFFAOYSA-N	401.677	4.818	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl	727791800	WZSCGBMPSKWLIL-VHSXEESVSA-N	418.107	4.865	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(Oc2cccc(Br)c2)nc1	729280876	UQGNPXVFWSYGNM-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Br)cc2F)ccc1OC1CCCC1	748213784	JEFSJXOJMRMDOG-UHFFFAOYSA-N	423.282	4.675	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4ccc(F)cc4C)cc3)o2)c1	748551813	OCNHAFNTHHLEDD-UHFFFAOYSA-N	402.429	4.916	50	20	HJGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NNc1cccc([N+](=O)[O-])c1C	748673255	DQMZNLPBHFBJJR-UHFFFAOYSA-N	412.471	4.557	50	20	HJGD	
COc1ccc(C(=O)NN=C(C)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	749853512	NWWWKLNYKKCDFT-GFCCVEGCSA-N	411.285	4.584	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1OCCO	762603352	BNVCZVJNKYNMAU-UHFFFAOYSA-N	413.364	4.976	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1	769978431	VYCZCACILGTRNW-CYBMUJFWSA-N	418.906	4.656	50	20	HJGD	
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NNc1ccc(Cl)cc1Cl	769994615	RIEHSZXBNSYDRZ-UHFFFAOYSA-N	407.301	4.686	50	20	HJGD	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCCC[C@H]1CCSS1	772196397	SPVUGUUBXFLBPI-PMPSAXMXSA-N	402.626	4.605	50	20	HJGD	
COC[C@H]1CCCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773566490	UADIRTAPUCHHST-LBPRGKRZSA-N	416.412	4.558	50	20	HJGD	
Cc1nc(Br)ccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	774078328	KZLXYEZRGAXCGL-UHFFFAOYSA-N	411.303	4.896	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1	778448633	DXVLQPXTSKMVSF-UHFFFAOYSA-N	414.252	4.591	50	20	HJGD	
CCc1cc2c(COC(=O)CCCC[C@@H]3CCSS3)cc(=O)oc2cc1O	786589679	FTBYDEVEFXVVSS-OAHLLOKOSA-N	408.541	4.818	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)c([N+](=O)[O-])c1	788516671	QXXXCQIBZUCASA-HNNXBMFYSA-N	407.426	4.500	50	20	HJGD	
O=C(COCCNC(=O)c1ccccc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	792547711	QLURVFPCMBLBDO-UHFFFAOYSA-N	424.391	4.729	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccc(Br)cn1	793399165	VPBJWSKJRZZUIC-MRVPVSSYSA-N	404.095	4.538	50	20	HJGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)C1	793468307	OCHZONNAWRLAEQ-JQWIXIFHSA-N	409.246	4.506	50	20	HJGD	
CCCN(N=Cc1ncc(Br)cc1Br)C(=O)OC(C)(C)C	794993602	ZLEFBBWXJHHSOZ-UHFFFAOYSA-N	421.133	4.588	50	20	HJGD	
COc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(Cl)c1	797101183	XDIIDRGEVYHIFA-AWNIVKPZSA-N	402.686	4.994	50	20	HJGD	
Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NNc2ccc(Cl)c(F)c2)o1	797103212	IEVFRSJFYLTOFK-UHFFFAOYSA-N	422.243	4.783	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc3nc(O)oc23)c(C)n1-c1ccc(F)cc1	811598060	QYBASJNUIVGODP-WJDWOHSUSA-N	416.412	4.626	50	20	HJGD	
CC(=O)Nc1cccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C	817015042	JGSHLTLPBBXWSX-UHFFFAOYSA-N	419.325	4.748	50	20	HJGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1ccc(CSc2nncn2C)cc1	915938329	DXVVGACDPXZNAN-UHFFFAOYSA-N	421.570	4.581	50	20	HJGD	
CCCc1ccc([C@H](NC(=O)NNC(=O)c2cc(C)nc3ccccc23)C(C)C)cc1	916195310	SHPMPHVZUDHBPV-HSZRJFAPSA-N	418.541	4.837	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)n1	920398481	JHSHQKXYCNOLTE-SXGWCWSVSA-N	422.466	4.700	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ccc(Br)cc1	932535631	VPSLPABUJSZGNK-UHFFFAOYSA-N	424.657	4.962	50	20	HJGD	
CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CC=C(C#N)CC1)c1cccc(Cl)c1Cl	1295164631	YREDXWTZLRFFPT-KRWDZBQOSA-N	424.328	4.584	50	20	HJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNC(=O)Cc1ccc2ccccc2c1	1318065561	ICQSSQSTEMACOQ-UHFFFAOYSA-N	413.477	4.622	50	20	HJGD	
CC(C)(C)N1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	1337599847	DOQDKYPSHBZQPW-CQSZACIVSA-N	409.905	4.854	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1	1786447527	YPQCBQZQOCIUAK-NRFANRHFSA-N	423.944	4.908	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccc(O)cc3)cc2)CCC1	1790508593	LOHLINPGHBWTHE-QRWLVFNGSA-N	414.933	4.647	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)CC1	1829964196	WOFMQTUVLXAOJI-CTNGQTDRSA-N	422.972	4.775	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(Cl)nc2ccccc12	21285926	ZEZJHJJMIAEZMS-UHFFFAOYSA-N	410.739	4.572	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)c1OC(F)F	730436944	NSMJYWTUZORONL-YFHOEESVSA-N	414.227	4.910	50	20	HJGD	
Cc1ccc(C(=O)NN=C(CC(F)(F)F)c2ccc(Br)cc2)c(O)c1	731925404	CFDAMOLNONPUMX-UHFFFAOYSA-N	415.209	4.550	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c(C)n1CC(C)C	732163487	YPMBSWWJSWWQQW-IUXPMGMMSA-N	409.921	4.514	50	20	HJGD	
Cc1c(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)sc2cccc(F)c12	732975704	SZXMLQPKWRIHFG-UHFFFAOYSA-N	402.838	4.809	50	20	HJGD	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	733771695	RKOWDQFXWHTRJP-TYBHGIAWSA-N	418.541	4.665	50	20	HJGD	
COc1ccc(O)c(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1	734060614	XWUJLGOROAJMHM-HNNXBMFYSA-N	420.840	4.942	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2sccc2-c2ccc(F)cc2)c1C	734256835	NRCQDLGBFNKEII-UHFFFAOYSA-N	419.485	4.780	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCc3cc(F)ccc3[C@@H]2C)c1C	737699548	WOBGIOXKZACDEF-OGSKRXBLSA-N	409.505	4.504	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC(=O)CCCc1ccccc1	740761614	CATXSYOHQYBKOG-UHFFFAOYSA-N	408.933	4.675	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c1	743822533	FXOBPYBJBBIPNR-LBPRGKRZSA-N	413.440	4.664	50	20	HJGD	
COc1ccc(-c2cncc(C(=O)NNc3ccc(Br)c(C)c3)c2)cc1	758297009	UGHBFGQGGFTNMV-UHFFFAOYSA-N	412.287	4.585	50	20	HJGD	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	775556678	OTBIQEWUYMGGAA-UHFFFAOYSA-N	418.419	4.668	50	20	HJGD	
COCCOc1c(Cl)cc(NC(=O)NNc2ccc3ccccc3n2)cc1Cl	775706104	GOWTUPWYKPUOFX-UHFFFAOYSA-N	421.284	4.715	50	20	HJGD	
CC(C)Sc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Br)cc1	779144266	HHHAIKZDKRRFBS-UHFFFAOYSA-N	410.293	4.615	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)OC)c(F)c2)c1C	783561629	VZWFRRYYHVZPCL-BOPFTXTBSA-N	412.465	4.768	50	20	HJGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)o1	787178132	OBVOWOLFKVQRBQ-OYGDSYQHSA-N	407.253	4.547	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2	799439386	JGEARJXNYXKNJV-HNNXBMFYSA-N	416.510	4.507	50	20	HJGD	
O=C(NC[C@@H]1CCCC(F)(F)C1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	799991743	IAIAXHOHAPGPGH-OAHLLOKOSA-N	402.445	4.515	50	20	HJGD	
NC(=O)[C@@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(F)cc1	801705645	RUBUKVYCBBCIFH-ZDUSSCGKSA-N	413.343	4.831	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1cccc2cccc(Br)c12	806847280	MRCUMIHPSWHCCU-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
CC(C)[C@]1(CO)CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	815094009	XUBLMACPNXTXBE-OAHLLOKOSA-N	423.469	4.763	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(OCC(C)C)c(OC)c2)c(C(F)(F)F)c1	816702170	BAFWOACRSKCKKM-UHFFFAOYSA-N	412.408	4.514	50	20	HJGD	
CCCCCn1nc(C(=O)NN=Cc2cccc3ccccc23)c2ccccc2c1=O	916326045	VORAUQAAFVVUHU-UHFFFAOYSA-N	412.493	4.504	50	20	HJGD	
COc1ccc(OC)c(-c2csc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)n2)c1	916650423	NTNMFMRPNBEYPZ-NTEUORMPSA-N	409.442	4.512	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)[C@@H](C#N)c3nc(C)cs3)c2C)cc1	916843694	COFGGWDZMKVLPA-JJYYRRLASA-N	416.506	4.651	50	20	HJGD	
CCCn1c(C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)nc2ccccc21	917537401	KKNVMBMMFRPZLA-QGZVFWFLSA-N	400.482	4.517	50	20	HJGD	
Cc1cccc2cc(C=NNC(=O)c3ccc(F)cc3Br)c(Cl)nc12	917552404	HBHYMWWYXXVLEM-UHFFFAOYSA-N	420.669	4.862	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NCCC)cc2)c1C	917812645	ZBJRTQZTKDIUIG-QNGOZBTKSA-N	406.530	4.591	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N(C)[C@H](C)c3cccc(Cl)c3)cc2C1	918002427	JLBWDRKPOCQXRD-QWHCGFSZSA-N	405.951	4.574	50	20	HJGD	
Cc1nn(-c2ccccc2)c2nc(C(=O)NNc3ccccc3C(F)(F)F)ccc12	918399312	LTQKYKDOZYAKIK-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)c1C	918668460	ILFJFWCQUQKNHK-HYARGMPZSA-N	420.557	4.897	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2nc(-c3ccccc3)oc2C2CC2)cc1C(F)(F)F	1252457039	LXBWCSHXCBHSNK-UHFFFAOYSA-N	412.371	4.866	50	20	HJGD	
N#C/C(=C/c1ccc2ccc(Br)cc2n1)c1nc(N)c2ccccc2n1	1319757678	AGEWIJZMYYZSPJ-LCYFTJDESA-N	402.255	4.587	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1ccc(-c2cccc3cccnc23)cc1	1346534393	WTLHYEFCDCOCOY-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H]3C[C@H]3[C@@H]3C[C@H]3C)c2C)cc1	1638629523	RGUBDOUBVPBBTN-AFTYSRJCSA-N	403.526	4.561	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c(C)cccc34)CCC2)cc1	1790489409	YVBLJMSWZTYQCZ-GOSISDBHSA-N	424.932	4.636	50	20	HJGD	
CC(C)(C)NC(=S)NNC(=O)c1oc2ccccc2c1CSC1CCCCC1	7962007	VXLFLQRRWNQDRM-UHFFFAOYSA-N	419.616	4.906	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)n1	14512072	YHHAMGVWUFHASS-UHFFFAOYSA-N	417.296	4.736	50	20	HJGD	
CCCCOc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	33430848	AGPKYEYVTLTVHS-PDGQHHTCSA-N	405.903	4.866	50	20	HJGD	
C[C@@H](Sc1nnc(-c2ccccc2F)[nH]1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	206135079	QPAPAJSESBSMCV-PCGWCVDLSA-N	423.498	4.613	50	20	HJGD	
Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	219903818	FDDRYMROFNVEAS-YOYPMJMESA-N	421.541	4.855	50	20	HJGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	727737810	BRPVZJVOWQTAQU-SKCQWOFPSA-N	421.932	4.574	50	20	HJGD	
O=C(CCCSc1ccc(Cl)cc1)NNC(=O)c1c(Cl)cccc1Cl	727793348	DIJZFXOVYKNXOX-UHFFFAOYSA-N	417.745	4.980	50	20	HJGD	
Cc1ccc(NCC(=O)NNC(=O)c2sc3cccc(Cl)c3c2Cl)c(C)c1	728205596	RCKSVCYYHGWVBU-UHFFFAOYSA-N	422.337	4.698	50	20	HJGD	
O=C(CCCOCCc1ccccc1)NNc1ccc(Br)cc1Cl	729276470	CLEDWVLAVTVEBK-UHFFFAOYSA-N	411.727	4.585	50	20	HJGD	
Cc1cccnc1CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	729437486	CGCHHDMISKYNPF-XDHOZWIPSA-N	404.901	4.674	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1	731531808	IMURFPSFMFVWFT-UHFFFAOYSA-N	422.535	4.805	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)CC2CCOCC2)c1C	732008457	YTTSUOJDDOUIDN-PCLIKHOPSA-N	419.569	4.877	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1	734246704	LXQDBBXNPZSOQY-UHFFFAOYSA-N	414.252	4.591	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3c(cnn3C(C)C)c2)c1C	735293138	QLPRVRXIXCJYJE-NAGKPISUSA-N	419.529	4.789	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)Cc2cccc(Br)c2)cc1	745844575	WPMMGKDQHHFLDH-LDADJPATSA-N	413.315	4.803	50	20	HJGD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)NNc3cc(F)c(F)c(F)c3)c12	746703358	UETJORLAVXXKLN-UHFFFAOYSA-N	416.359	4.610	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c(C)n1C[C@@H]1CCCO1	747198067	SSNXQCOIRNHKPQ-PNUUQTMHSA-N	422.554	4.647	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNc3ccc(C#N)cc3)cc12	748104969	VEJBRGMVICZNDV-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
CC[C@H](C)n1c(SCC(=O)NNc2cc(C)ccc2C)nnc1-c1ccccc1	748402973	YKICLPVHVHQAEH-KRWDZBQOSA-N	409.559	4.768	50	20	HJGD	
CCCc1c(C(=O)NNc2cc(Cl)ccc2Cl)cnn1Cc1ccccc1	752813492	YMKFSIBTUMXYFX-UHFFFAOYSA-N	403.313	4.948	50	20	HJGD	
NC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752982331	MGCQCYBADGVIOJ-CQSZACIVSA-N	409.380	4.562	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(CCC(F)(F)F)c1	753709098	TYYAVVTVLXZZOY-UHFFFAOYSA-N	420.218	4.570	50	20	HJGD	
Cc1ccc(OCc2cccc(C(=O)NNc3cc(C(F)(F)F)ccc3F)c2)cn1	754143680	RGAHOMHJZNRKCY-UHFFFAOYSA-N	419.378	4.884	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)CN(c2ccc(C(C)C)cc2)C3)o1	757892036	RHGRPFSLWBRGNV-UHFFFAOYSA-N	418.497	4.698	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c(Br)c1O	761013145	VZFMHDZGSPOCCB-MDWZMJQESA-N	414.284	4.746	50	20	HJGD	
O=C(NN[C@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1ccc(Cl)cc1F	762640826	KLBAWCPCBGBUHK-LJQANCHMSA-N	422.847	4.553	50	20	HJGD	
CC(=O)c1cccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	765671932	WVTNSOPLPRVCLX-UHFFFAOYSA-N	402.075	4.715	50	20	HJGD	
N#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3ccc(F)cc3Cl)cc2)cc1	767752331	AXQVWFDVULIAPE-UHFFFAOYSA-N	407.832	4.547	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1cc(C#N)cc(Cl)n1	768694737	FBQUCPYXZQVGRQ-UHFFFAOYSA-N	408.845	4.555	50	20	HJGD	
CCOc1ccc(NC(=O)NNc2ccc(F)cc2Br)cc1OCC	769933017	UQUDLUJRXGGKDN-UHFFFAOYSA-N	412.259	4.534	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(C(=O)NC2CC2)cc1	769941483	BAKWXXXMWITYJA-UHFFFAOYSA-N	413.692	4.688	50	20	HJGD	
C[C@H](c1ccncc1)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773072546	HRXDZAXPNRHZNG-LLVKDONJSA-N	409.380	4.897	50	20	HJGD	
CN(NC(=O)c1sc2ccccc2c1CSc1ccccc1Cl)C(N)=O	778414487	DVLUNQZMZDXTSF-UHFFFAOYSA-N	405.932	4.502	50	20	HJGD	
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CS2	782116051	ZDEJLPPABHNENR-RISCZKNCSA-N	402.410	4.737	50	20	HJGD	
Cc1cc2c(Br)ccc(C(=O)NNc3ccc(C(F)(F)F)cn3)c2o1	785634183	IVBKTQGQAITXIQ-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc3cccc(C)c3nc2Cl)cc1	787155538	SJLJELREQUDVKJ-CCRNYGKSSA-N	405.885	4.990	50	20	HJGD	
O=S(=O)(CCCCCl)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1	788055791	FUIOKZVDLVDNNY-UHFFFAOYSA-N	408.829	4.653	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2c(F)cccc2OC(F)(F)F)cc1	789148485	PUXCFITXTFKEIQ-XTCQQWIJSA-N	408.351	4.517	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)Nc1ccc(F)cc1	794689220	QZFWWDJGUPIDHG-ZROIWOOFSA-N	400.335	4.576	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1ccc2ccccc2c1)c1csc(-c2cccs2)n1	800433663	VOTNQIJZCPDUPF-UHFFFAOYSA-N	421.547	4.764	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cccc(C(=O)Nc2ccccc2)c1	803126790	INCKMFAIPLQZOW-UHFFFAOYSA-N	415.371	4.594	50	20	HJGD	
O=C1COc2ccc(CNc3ccccc3S[C@H](Cl)C(F)(F)F)cc2N1	816525203	JVISWLKTWPUBNM-INIZCTEOSA-N	402.825	4.849	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc([C@H](C)CC)cc2)cc1	849205058	MZHNSOCLSZFDFM-LCJWNIEWSA-N	406.482	4.688	50	20	HJGD	
CCN(CC)Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)c1	914840842	HYGBBIJPVWRNTF-CSMVZQPBSA-N	422.573	4.700	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2CN(CC)C(C)=O)c1C	915169126	SCFJPDKOHINHLT-HZHRSRAPSA-N	420.557	4.819	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1	916628084	LFNQOSXSKCDJLN-INIZCTEOSA-N	407.901	4.505	50	20	HJGD	
N#C/C(=C/c1ccc(-c2cccs2)cc1F)C(=O)Nc1ccc2c(c1)OCCO2	917518158	WPIWJHJRUAROCT-YBEGLDIGSA-N	406.438	4.871	50	20	HJGD	
CCN(C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CCCC1	918423366	TXEARVPCGNAMGL-INIZCTEOSA-N	408.873	4.636	50	20	HJGD	
O=C(NN=Cc1cccc2c[nH]nc12)c1cc(-c2ccc(F)cc2)nc2ccccc12	1116119886	OLLSQZIRXXRKBO-UHFFFAOYSA-N	409.424	4.681	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CC3)CCC2)cc1	1786444965	MVWGXMZZOJMGBU-HNNXBMFYSA-N	416.871	4.871	50	20	HJGD	
CC[C@H](C)[C@@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H](F)Cl)C2)CC1)c1ccccc1	1810901317	HFBKEFCSILSEBM-DFQSSKMNSA-N	422.972	4.582	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)CC1	1830302527	BXQUDDDSHIFIKT-RBUKOAKNSA-N	422.013	4.563	50	20	HJGD	
O=C(c1ccccc1C1CC1)N1CCC([C@@H]2CCCCN2C(=O)C(Cl)Cl)CC1	1831881703	CXOPEMSCSVFNMH-IBGZPJMESA-N	423.384	4.601	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2c(F)cccc2Cl)c(C)n1C[C@@H]1CCCO1	6388662	PJUONSNRRBZIHG-LTXFRBGYSA-N	416.880	4.727	50	20	HJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	727253665	GATOJEPWRYNUQM-OAHLLOKOSA-N	419.572	4.625	50	20	HJGD	
CSCCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	727670380	UTRHPWVIERGXCE-XOYGFPHKSA-N	423.582	4.735	50	20	HJGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	727738115	GMGHUGJBXXEUBY-SMLKNPDNSA-N	421.932	4.574	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(COc2cccc(Br)c2)o1	729280744	OJTZIUIEKYBPLE-UHFFFAOYSA-N	423.213	4.656	50	20	HJGD	
O=S(=O)(Oc1ccc(-c2noc(C3CC3)n2)cc1)c1ccc(CCCCl)cc1	729486750	KRVICSZBJDPGHW-UHFFFAOYSA-N	418.902	4.553	50	20	HJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)c1	730437563	SJGWYMJXWFXAOT-GXDHUFHOSA-N	406.301	4.716	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@H](N2CCCCC2)C1	730897608	OFYVPYRRAJNWAQ-BBRMVZONSA-N	421.916	4.998	50	20	HJGD	
COc1ccccc1C(=O)NNC(=O)c1sc2cc(C(C)C)ccc2c1Cl	732642415	VXZKARFTQNIIQV-UHFFFAOYSA-N	402.903	4.762	50	20	HJGD	
CCc1nc(C)c(C(C)=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1	735223629	FCXIOJRZQKIENJ-UHFFFAOYSA-N	415.522	4.778	50	20	HJGD	
N#Cc1ccc(NNC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1C(F)(F)F	746893002	BGXDRINMRSGRJA-UHFFFAOYSA-N	413.321	4.771	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccccc1CSc1nc2ccccc2[nH]1	748175972	WYTOOIFOWOTKKU-UHFFFAOYSA-N	410.449	4.890	50	20	HJGD	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1cccc([N+](=O)[O-])c1C	748681535	RDZANWZMIUVGBR-UHFFFAOYSA-N	421.240	4.930	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2csc(CCc3ccccc3)n2)cc1	751439797	RYHZKGBEKOEDHA-XSFVSMFZSA-N	417.534	4.550	50	20	HJGD	
O=C(NCc1ccc(NC(=O)c2ccco2)cc1)NNc1cc(Cl)ccc1Cl	751991612	GMAGUNLDVGXLGT-UHFFFAOYSA-N	419.268	4.665	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)o1	753386518	FMDSOWGSSVDISD-SFHVURJKSA-N	418.280	4.628	50	20	HJGD	
CC(C)c1ccc(C2(O)CCC(=NNC(=O)c3cccc4ncccc34)CC2)cc1	753922806	YDIGPYAEVWLZBJ-UHFFFAOYSA-N	401.510	4.906	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2cccnc2Cl)c1	754471947	WHSQPAXVGCQJLF-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)c2ccc(Br)cc2Cl)c1	756826827	MJZSPZKVNOXAQE-UHFFFAOYSA-N	417.637	4.776	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cncc(-c2ccc(Cl)cc2)c1	758297687	HGTNGHVCNDDAAZ-UHFFFAOYSA-N	401.857	4.616	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC3(CC2)OCc2ccccc23)c(C)n1CC(C)C	760097493	PSQGFYIPUAXIJX-UCQKPKSFSA-N	417.553	4.716	50	20	HJGD	
CC(=O)Nc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc(C(F)(F)F)c1	761005026	ZIMHSRPBWWDCGE-UHFFFAOYSA-N	422.794	4.622	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(F)c(Cl)c2)c1C	762372038	BFZRDEJDWFBPGQ-SMLKNPDNSA-N	417.912	4.670	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NC1CCC(F)(F)CC1	762669166	GHDXBYNRUSWLMA-UHFFFAOYSA-N	408.339	4.977	50	20	HJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	763175427	PQWZPZQTZTXQEN-VZUCSPMQSA-N	417.657	4.893	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc([N+](=O)[O-])ccc1SC1CCCC1	764275826	NBAHYALJXDDPSH-UHFFFAOYSA-N	411.405	4.804	50	20	HJGD	
N#CC1=CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CC1	767178702	VFLMEQZYUWWKFH-UHFFFAOYSA-N	401.235	4.676	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	767717388	LRYHEQPJHDBLOF-NTEUORMPSA-N	420.271	4.515	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)N[C@H](c1ccccc1)c1ccccn1	768021065	MNZGQLBAXBKVEO-QGZVFWFLSA-N	405.260	4.943	50	20	HJGD	
C[C@H](CBr)COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1	770386499	WWFRMJZQQFPKHQ-SECBINFHSA-N	420.090	4.764	50	20	HJGD	
CC(C)(C)n1cc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	773423355	BVVWXHBIYLJPHN-UHFFFAOYSA-N	412.384	4.873	50	20	HJGD	
Cc1cc(C(=O)NNc2nccc3sccc23)nn1-c1ccc(Cl)c(Cl)c1	777522009	NURBBHOMGVEFEQ-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1c(Cl)cccc1Oc1ccccc1Cl	781837216	WCNATJCYFSCNIC-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NNc1c(Cl)cccc1Cl	782731616	ADHDHTFEDRIWAU-UHFFFAOYSA-N	417.318	4.862	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1nnc(-c2cc3ccccc3o2)s1	787466139	IPOJKGOAWYABSV-UHFFFAOYSA-N	421.269	4.802	50	20	HJGD	
Cc1cccc2c1OCC[C@@H]2OC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	789496409	IEAPVGPKLCFNEY-HBQLNJFMSA-N	420.509	4.566	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c(C)n1C1CCCCC1	792534473	PGGKXCRLJMMTEQ-TYJAPOHBSA-N	421.545	4.773	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1	794690918	KQSIQNCAWGAAGP-QPEQYQDCSA-N	418.400	4.588	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)cc1C	812717163	XQNXXHQSHXCFRV-UHFFFAOYSA-N	409.873	4.644	50	20	HJGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C	817014642	RFRQURGMQKUMSZ-TVQRCGJNSA-N	410.358	4.809	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(N2CCOCC2)c2ccncc12	849367442	VJYLGYGUHYQTQP-MRXNPFEDSA-N	417.600	4.724	50	20	HJGD	
CCOc1cccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)c1OC(F)F	915906748	MXPBZYRLFBGHMX-UHFFFAOYSA-N	420.456	4.513	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)c3ccsc3)cc2)cc1	915989529	JKSRUWWUAUGXMT-UDWIEESQSA-N	403.459	4.904	50	20	HJGD	
CCCCCC1=C(C)CCC1=NNC(=O)c1ccc(CSc2nncn2C)cc1	916292550	DGTJHBVPBVOZIN-UHFFFAOYSA-N	411.575	4.884	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)Cc3ccc(Cl)cc3)c2Cl)c1	916350898	PEDFSUXKJJOPSN-UHFFFAOYSA-N	415.324	4.797	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1cccc(Br)c1)c1cccs1	932506391	JTVSZIFRAFGWGL-UHFFFAOYSA-N	416.300	4.520	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2cccc(C(=O)O)c2)c1)c1nc(N)c2ccccc2n1	1318585050	RFCBKZIPVRUICR-YBFXNURJSA-N	422.444	4.553	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)NNc3nccnc3C3CCC3)ccc2OC)cc1	1322708060	AZBPEHNRCGVBOR-UHFFFAOYSA-N	419.485	4.577	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccn(C)c34)cc2)CCC1	1789060652	JRDKJHCGOVFBRX-FQEVSTJZSA-N	423.944	4.943	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccco3)cc2)CCC1	1791908824	FEMHWBGZEUAWCL-OXQOHEQNSA-N	416.949	5.000	50	20	HJGD	
C[C@H]1C[C@]1(C)C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1845087736	DBMRPNXBNFSPDP-UGKGYDQZSA-N	411.030	4.986	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC	7156807	CHOZQXTVQREWQF-GXDHUFHOSA-N	404.438	4.954	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(SC)cc2)c1C	27165629	VSLXRRYDYUTVMM-DTLUWHCESA-N	411.571	4.819	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3c(s2)CCCCC3)c1C	105529533	JKJTZIBYUWJJRY-JQFNYASXSA-N	412.559	4.583	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccccc1Br	245285971	ZTTGERNTTITTIY-UHFFFAOYSA-N	409.283	4.645	50	20	HJGD	
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1c(Cl)cccc1OC(F)F	732923486	CIUBXMFAXUBLAK-UHFFFAOYSA-N	423.630	4.777	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1c(C)nn(CCCl)c1C	733923802	BLQFPRPAHUSJSG-ZDUSSCGKSA-N	402.951	4.662	50	20	HJGD	
CC(=NNC(=O)COc1ccccc1-c1ccccc1)c1c(Cl)nc2sccn12	741836972	KFEQKCAANWSOAA-UHFFFAOYSA-N	424.913	4.635	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ncc(C(C)(C)C)s2)c1C	742807553	HQKHGMYCUQZHJC-IREQLNLFSA-N	400.548	4.612	50	20	HJGD	
O=C(NCc1ccc(Cl)s1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743524050	HRNQFNLBZPHFRB-UHFFFAOYSA-N	400.891	4.604	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)/C=C\c2cnc(C(C)(C)C)s2)cc1	743821946	YZOSAAZXESTXKE-SEYXRHQNSA-N	416.616	4.814	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2csc(-c3ccc(Cl)cc3)n2)o1	746490645	LEZLFKBFDYPZTI-UHFFFAOYSA-N	416.934	4.662	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)o1	746520259	QRDNQSODUXAQAE-GOSISDBHSA-N	410.861	4.586	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NNc1cc(F)c(F)c(F)c1	746701656	TYUUGCSFNRZQPV-UHFFFAOYSA-N	423.391	4.622	50	20	HJGD	
COc1ccc(C#N)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	747405813	MVHDNDJQQDWRQN-XDHOZWIPSA-N	414.440	4.659	50	20	HJGD	
C[C@H](C(=O)NNC(=S)Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1	747522696	QGAFXMRCVJXXEF-VIFPVBQESA-N	402.734	4.768	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(C)c2O)c1C	747933784	CSDQECFTLSNEIO-WZCGUGGKSA-N	401.894	4.525	50	20	HJGD	
C[C@](Cc1nc2ccccc2s1)(C(=O)NNc1cccc(C#N)c1)c1ccccc1	748030801	KSRIYXNKFKWUNU-XMMPIXPASA-N	412.518	4.812	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(C(=O)NNc2ccc(OC(F)F)cc2)ccc1F	748656642	ZIKSDQRLJPVMPA-UHFFFAOYSA-N	411.380	4.531	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nnn(-c2cccc(C)c2)c1C	748669014	AKTSBTFINSHRQT-UHFFFAOYSA-N	405.527	4.834	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2ncccc2c1	748833085	LPHRREBGKZWRJK-UHFFFAOYSA-N	424.835	4.538	50	20	HJGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)o1	749451060	HFYPEWQUSITOBY-BOPFTXTBSA-N	422.868	4.976	50	20	HJGD	
COc1cccc2c1OCC[C@@H]2NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	751233581	VZDRUJRRAVZPBP-PZHBDVNGSA-N	421.541	4.707	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1-c1ccccc1	754185944	YVUSHFNSHBVPMV-UHFFFAOYSA-N	413.865	4.624	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)c(Cl)c2)cc1OC	754828206	QHNSCQDXQSYDNZ-KPKJPENVSA-N	421.678	4.665	50	20	HJGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1	758418561	PMBANJFVZSJVQO-LQELWAHVSA-N	404.249	4.724	50	20	HJGD	
CCCN(CCC)C(=O)c1cccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1	761590481	NUMVQIJGIUHVBF-UHFFFAOYSA-N	423.435	4.604	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1	762998069	RXLAJYVCJFAJGH-NRFANRHFSA-N	411.933	4.657	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1nc(C2CC2)n(-c2ccccc2Cl)n1	763612594	KMCJNXWDMBHCBC-UHFFFAOYSA-N	422.703	4.862	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(OCC(F)(F)F)cn1	764740227	MGGNGIZQYDBZQS-UHFFFAOYSA-N	414.598	4.740	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc2c(OC(F)F)cccc2[nH]1	767395866	LGVWFVUEMNKLGT-UHFFFAOYSA-N	404.175	4.972	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	768111609	HYQZHSSZFHUWRT-SFHVURJKSA-N	420.822	4.762	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2ccnc(Br)c2)c1	771536952	CIDRVHRERNZREN-UHFFFAOYSA-N	412.287	4.667	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(Br)c(F)c2)cc1OC1CCCC1	771681953	PGRCJYVDCREONP-UHFFFAOYSA-N	423.282	4.675	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)c2cc(SC)ncn2)cc1	773171259	IZEUEVSKJIGZJQ-YBFXNURJSA-N	417.490	4.628	50	20	HJGD	
CC(C)CCOc1ccc(NC(=O)C(=O)NNc2c(Cl)cccc2Cl)cc1	773695074	ZLNQQXGNNYALCH-UHFFFAOYSA-N	410.301	4.500	50	20	HJGD	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)NNc1ccc2ccccc2n1	775532322	FCKQDHIXMRGGSW-UHFFFAOYSA-N	417.513	4.564	50	20	HJGD	
O=S(=O)(NCc1cn2ccsc2n1)c1cccc(S(F)(F)(F)(F)F)c1	778040006	PWTFHEZVQGTHDH-UHFFFAOYSA-N	419.422	4.532	50	20	HJGD	
Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN3CC=C(C#N)CC3)nc2c1C	779591413	UGFFYMJCQFSOOX-UHFFFAOYSA-N	416.550	4.602	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cccc(Br)c1Cl	780660274	YDTIHDSGYCPSFI-UHFFFAOYSA-N	423.616	4.801	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	780733777	ZOPFUYIMZQTSSF-UHFFFAOYSA-N	422.293	4.660	50	20	HJGD	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NNc1ccccc1C(F)(F)F	782189155	RNAYSFBFUVIGTA-UHFFFAOYSA-N	416.425	4.574	50	20	HJGD	
CN(NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1)c1ccccc1	783433752	WHHJLZVIEPOLLC-UHFFFAOYSA-N	411.914	4.597	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NS(=O)(=O)CCCCCl	788068852	SJTGXYZJKOGWAM-UHFFFAOYSA-N	415.342	4.661	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)ccc1Cl	788580116	ZXQRFVPESLQPBI-CQSZACIVSA-N	416.909	4.512	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1Cl	788674820	ILKGSPDKKYQUHK-UHFFFAOYSA-N	420.897	4.522	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)c1C	790333326	SNTLGUWZBNCXIN-ASZBORBYSA-N	423.557	4.741	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1	791494111	RLXSPJWMLPETOY-ZANVPECISA-N	420.806	4.729	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1NC(=O)N(C)C	794419990	ALUILHVDXHIGFW-RGVLZGJSSA-N	421.545	4.709	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc2c(c1)CCCCC2=O	811016423	NXIDRDNKAHPOOY-UHFFFAOYSA-N	401.304	4.678	50	20	HJGD	
CNC(=O)Oc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1	814162720	NVLSMSUWQMGGSS-CPNJWEJPSA-N	420.513	4.874	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCOc2ccccc21	817015952	YRHJPJRUXFOHEB-CQSZACIVSA-N	404.310	4.734	50	20	HJGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)c1sc2nc(C)nc(C)c2c1C	863951834	DRKFOILDHMMUGD-UHFFFAOYSA-N	403.511	4.627	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](c2ccsc2)N(C)C)c(C)n1CCC(C)C	914506071	NEQHQKPQUJCKLJ-ATEMXAKRSA-N	412.603	4.539	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)c(OC)c2)cc1Cl	915848619	DXECKJNXWINRPT-DHDCSXOGSA-N	400.862	4.690	50	20	HJGD	
COc1c(Br)cc(/C=C(/C#N)C(=O)C(C)(C)C)cc1Br	915982645	SKOOZHVLINPBTM-YHYXMXQVSA-N	401.098	4.742	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CC2CCCCC2)C2CC2)c(C)n1C[C@H]1CCCO1	917802324	GAVCVFHXRIQMGC-IGSWSUAKSA-N	409.574	4.762	50	20	HJGD	
CC(C)Oc1ccc([C@@H](C)NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1	918206787	LZZBOJDDBAAJBC-LLVKDONJSA-N	416.831	4.928	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)c1ccccc1OCc1ccccc1	919656955	KDNKMJCNZATTDZ-GOSISDBHSA-N	418.497	4.671	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(-c2cccnc2)n1	920064781	IJSWPQMKIMZRLY-XMHGGMMESA-N	421.460	4.820	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c(C)n1CC(C)C	929343827	PODWYIUYSNUFNH-GRSHGNNSSA-N	405.527	4.825	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(CCc3ccc(OC)cc3)o2)c1C	1117213271	BPUASVDLOJNOQO-VYVDHXHBSA-N	420.513	4.553	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC#N)cc2)c(C)n1-c1ccccc1F	1317711040	VUCJCWKULGYNJZ-RGEXLXHISA-N	414.440	4.681	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3)CCC2)cc1	1786446449	FBUPZWXNHBQWHN-FQEVSTJZSA-N	414.933	4.850	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3sccc3F)cc2)CCC1	1786519058	IVJRGOPHFXKASS-UHFFFAOYSA-N	408.926	4.900	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1	1789678259	CPHIKOKWQDRZKE-GOSISDBHSA-N	420.340	4.890	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CNc3ccccc3C)CCC2)cc1	1790485859	JAHKBKDXGMQEPL-LJQANCHMSA-N	413.949	4.558	50	20	HJGD	
C[C@@]1(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Br)cc3)CCC2)CC=CCC1	1790537467	PSHYWQHFURNEMF-VQIMIIECSA-N	423.326	4.557	50	20	HJGD	
C[C@]1(C(=O)Nc2ccc(C3(NC(=O)CCBr)CCC3)cc2)CC=CCC1	1791988425	BMSQQZVWGDLTHE-FQEVSTJZSA-N	419.363	4.652	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2C)[nH]n1	1815314558	LVGAVWHWVBSBDX-YJBOKZPZSA-N	420.916	4.571	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2cc(Cl)c3c(c2)OCCCO3)n1	17475946	RPGWAJKFTCITMS-NTUHNPAUSA-N	417.918	4.801	50	20	HJGD	
O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	21875997	XBGMLGKUUVPKLP-OAHLLOKOSA-N	400.931	4.750	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cc2ccccc2nc1N1CCOCC1	208095970	LRAMUGQXDGJMNK-HKWRFOASSA-N	422.488	4.651	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)c2ccoc2C)cc1	211207147	WSJBSIMHBHBDDO-MOSHPQCFSA-N	401.418	4.744	50	20	HJGD	
COCCOC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	727060937	AMQWKFRWSAUATQ-YBEGLDIGSA-N	406.265	4.669	50	20	HJGD	
C=C(C)COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	727330614	OCOKFZPCRIUJRX-YXFINDDBSA-N	419.525	4.785	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CCSC)cc2)c1C	727670362	UDZGSFKCZIBZRF-OJSPLJLUSA-N	411.571	4.764	50	20	HJGD	
CC[C@](C)(NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccccc1	730762136	VAWOSYAIKJRWSA-FLALMRSMSA-N	405.542	4.633	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C(=O)O)c1)C(=O)c1ccccc1F	731562401	BFVCILONNTZTGU-PDGQHHTCSA-N	401.393	4.893	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1	733912973	XPXTYGAKDCRVAQ-UHFFFAOYSA-N	400.891	4.861	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)c1C	734179337	ZJNMFVYYNRLWHR-SFHVURJKSA-N	420.582	4.962	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cccnc1SCC1CCCCC1	740140312	VUMDKKOFQGXTEJ-UHFFFAOYSA-N	410.465	4.925	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3ccc(Cl)nc3)c(-c3ccccc3)n2)cc1	743818954	UFKALECSRKHSJA-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)CCCC[C@@H]3CCSS3)ccc2NC1=O	744752019	OAEMOIFBRSXXCV-LXZKKBNFSA-N	408.589	4.687	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nc(N2CCCC2)ncc1Cl	748672909	QRHWRYMHWJAEPN-UHFFFAOYSA-N	415.950	4.680	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(OC)c(O[C@@H](C)CC)c2)c1C	749450846	FCPRJBSPWWIDHQ-BGARDKSCSA-N	424.497	4.784	50	20	HJGD	
COc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1OC1CCCC1	752662197	QLPVCIKGVVFPJP-UHFFFAOYSA-N	412.383	4.931	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ccc(C#N)c(Cl)c3)cc2)cc1	753303118	HKMVRJXTBOAEQJ-UHFFFAOYSA-N	405.841	4.963	50	20	HJGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2ccc(OC)c(OC)c2)cc1Cl	753887457	JXWFGXLTTGRVCA-SDQBBNPISA-N	407.253	4.565	50	20	HJGD	
Cc1nc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)no1	759514773	ITSMYYIMIIGSSC-FBJMNJBLSA-N	410.861	4.650	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cnccc2-c2ccccc2)c1C	759721540	FBMSIXLVCXQJAE-QLTNSANVSA-N	414.509	4.920	50	20	HJGD	
Cc1ccnc(NNC(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)c1	760368728	QMHFWOSTNJXKJM-UHFFFAOYSA-N	420.900	4.834	50	20	HJGD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	761618084	MMZWWUWLEZMYHY-HNNXBMFYSA-N	420.840	4.681	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCCBr)c(Cl)c1	763105263	DRBBCOFHDBMVQJ-GDNBJRDFSA-N	419.706	4.968	50	20	HJGD	
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)NN(Cc1ccccc1)c1ccccc1	765917266	WNBLJOIUYPFVNU-LADGPHEKSA-N	401.510	4.828	50	20	HJGD	
CC[C@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccncc1	773327988	SWYWCRTUXPWGTC-AWEZNQCLSA-N	409.380	4.945	50	20	HJGD	
COc1cccc(C2(NC(=O)CCCC[C@@H]3CCSS3)CCOCC2)c1F	773810040	IDLJVCAXKGVNTD-OAHLLOKOSA-N	413.580	4.670	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	775262150	ZPPSHYQKVVQQHR-KBPBESRZSA-N	418.444	4.903	50	20	HJGD	
CCCn1c(C)c(C(=O)NNc2ncc(Cl)cc2Cl)c2cc(OC)ccc21	775275741	OELVKXKNBKGZNL-UHFFFAOYSA-N	407.301	4.827	50	20	HJGD	
O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc(S(F)(F)(F)(F)F)c1	777842220	GUCOCAZMEGMHMN-UHFFFAOYSA-N	417.377	4.551	50	20	HJGD	
C[C@@]1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCCC[C@@H]1O	777987938	RWVIJHINCHLLJX-KBPBESRZSA-N	409.442	4.564	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2ccc(C(C)(C)C)cc2)c(C)n1C[C@@H]1CCCO1	780805817	BYRVQDMQEBWFNE-CBIIRDDDSA-N	420.557	4.632	50	20	HJGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	782083772	VARHSSQQQKZQGQ-NSHDSACASA-N	418.906	4.941	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ncccn2)c(C)n1-c1cccc(Cl)c1Cl	787290234	KDWISFUEWPYEGU-XNTDXEJSSA-N	412.280	4.737	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1C(C)C	790337165	GQMYCSHFGOMFDV-UHFFFAOYSA-N	413.865	4.623	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1	791720935	UZPPMKCJLFFEDM-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
N#C/C(=C\c1cc(Br)cc2c1OCC2)C(=O)c1ccc2ncccc2c1	794885097	OFZSHXOJWPWHFT-RQZCQDPDSA-N	405.251	4.722	50	20	HJGD	
COC(=O)c1occc1/C=C(/C#N)C(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1	797126199	DYZUAQXASJVNPL-SXGWCWSVSA-N	421.478	4.661	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)Nc1ccc2nc(C(F)F)sc2c1	806691014	GFWGYJSDMOXUGD-UHFFFAOYSA-N	414.235	4.540	50	20	HJGD	
CC(C)(C)NS(=O)(=O)Cc1cccc(NCc2ccc(OCCCCl)cc2)c1	811470164	SZXDZZYZIILCSD-UHFFFAOYSA-N	424.994	4.524	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc2nccn2c1	814642903	JWHHABGYNFORRL-UHFFFAOYSA-N	403.286	4.521	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC=C(c3ccc(O)cc3)CC2)c(C)n1CC(C)C	843592487	YNKDXKUIAKYTPJ-OEAKJJBVSA-N	403.526	4.689	50	20	HJGD	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1	915843201	AGHBJXFLLLSBOR-ZGPWBKFBSA-N	400.434	4.518	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3nc(-c4ccccc4)oc3C3CC3)c(C)cc2c1	1323545303	UUWUBWSUOONKFV-UHFFFAOYSA-N	414.465	4.841	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)no3)CCC2)cc1	1786447085	ONHHEMQZHSOQRW-KRWDZBQOSA-N	417.937	4.953	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)Cc3ccccc3)cc2)CCC1	1787743560	MRUCSBPGKGSZQN-NRFANRHFSA-N	419.352	4.600	50	20	HJGD	
Cc1cccc(-c2nnc(COC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)o2)c1	7764581	MLWFMMKXAGIAMQ-SRZZPIQSSA-N	418.497	4.770	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1C	213817954	HYIDMKUGVJBABP-QNGOZBTKSA-N	406.530	4.543	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)c1	730595951	BLODDEISCINJQR-NSHDSACASA-N	414.333	4.637	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1	731232358	PRJRFZGCURMYDU-YADHBBJMSA-N	419.550	4.748	50	20	HJGD	
O=C(CCOCc1ccccc1)NNc1ccc(Br)cc1C(F)(F)F	731478107	AXVPOKOXNADYLL-UHFFFAOYSA-N	417.225	4.518	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)Nc1cccc([N+](=O)[O-])c1	731487269	IPXLEKJAIRBGKA-UHFFFAOYSA-N	419.157	4.525	50	20	HJGD	
N#Cc1cccc(OCCCCC(=O)NNc2ccc(Br)cc2Cl)c1	733807837	NAADEZHHOCKXJU-UHFFFAOYSA-N	422.710	4.667	50	20	HJGD	
O=C(Cc1cccc(Br)c1)NNc1ccc(Br)cc1Cl	733808142	SGVDQIFUVMMXPM-UHFFFAOYSA-N	418.516	4.551	50	20	HJGD	
Cc1cc(NNC(=O)c2cc3cc(Br)ccc3[nH]2)ccc1Br	734254814	IZEXAEBAQBHEDQ-UHFFFAOYSA-N	423.108	4.758	50	20	HJGD	
COC1CCC(N(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)CC1	734353095	ZKVXPDUSMNEGNX-RCCKNPSSSA-N	405.542	4.726	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c1C	737609395	NXOCCBKCWSODCT-ZSMJMAAGSA-N	419.569	4.932	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1-n1cncn1	742429758	YQIHDJLHWKUOLR-XSFVSMFZSA-N	421.460	4.914	50	20	HJGD	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1ccc(Cl)nc1	743816644	KKHPVBPKHKLCFV-LLVKDONJSA-N	423.325	4.808	50	20	HJGD	
CCC(=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)C1CCOCC1	745193908	KNUHKKNQNCZMOD-UHFFFAOYSA-N	400.906	4.841	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1	746897108	RSOARTNDLKDNHJ-UHFFFAOYSA-N	420.391	4.681	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NNc1cccc2c1CCCC2	748587827	BHGRBHUIORBICR-UHFFFAOYSA-N	412.896	4.668	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cccnc1SCc1ccc(F)cc1	748797155	OYQJIBWKVPMLHN-UHFFFAOYSA-N	407.392	4.687	50	20	HJGD	
Cc1cccc(NC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1C	755330053	FUMBHZMGQZQXJV-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cncc3ccccc23)c(-c2ccccc2)n1	759867228	MSTAQJPNBCOKQG-MOSHPQCFSA-N	418.460	4.558	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1	761628174	WCHCEPLOMLJQFM-OAHLLOKOSA-N	405.406	4.544	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(OC)c(Cl)c2)c1C	761811447	GJHXMYAISLZJNI-GDXCHIGESA-N	416.905	4.625	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1cnc(C2CCCC2)s1	767755660	VAFZNFAMMMIXHR-UHFFFAOYSA-N	402.570	4.653	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc(C[S@](=O)c2ccccc2)c1	770031379	YFWWHYUDQJELFR-LJAQVGFWSA-N	422.535	4.753	50	20	HJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ccnc(Br)c1	771551622	JLDQCRSMIXBDSH-UHFFFAOYSA-N	418.316	4.728	50	20	HJGD	
C[C@H](O)c1ccc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	773296219	FLBSXWPZZFCBDU-NSHDSACASA-N	424.391	4.652	50	20	HJGD	
O=P(CCNC1(c2ccc(F)cc2F)CCC1)(c1ccccc1)c1ccccc1	775462146	LNHINKTWCPTNPW-UHFFFAOYSA-N	411.432	4.948	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2cnccn2)c(C)n1-c1cccc(Cl)c1	781822836	PPAJNRGGCJFFIZ-PMFHANACSA-N	406.873	4.749	50	20	HJGD	
CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)NNc1cccc(Cl)c1	782107699	YSTDOUSYAZZOMQ-UHFFFAOYSA-N	418.925	4.503	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(OCC2CC2)CC1	782981584	RHWMBEVHEFDXBX-UHFFFAOYSA-N	421.453	4.924	50	20	HJGD	
COCCC1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCC1	782985334	OBEDGZNGHHCKSB-UHFFFAOYSA-N	409.442	4.829	50	20	HJGD	
CC(=O)Nc1cccnc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	786639050	RXBJEAVJGXTPBN-CPNJWEJPSA-N	405.502	4.509	50	20	HJGD	
Cc1cc(CN(C)C(=O)/C(C#N)=C/c2ccc(O)cc2)cc(C)c1OCC(F)(F)F	787124797	PTUDDEMDLQCHJZ-VCHYOVAHSA-N	418.415	4.516	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1O	787144064	DTUWCUZMTOOVTR-RYPVXOHGSA-N	421.280	4.501	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1C#N	787145689	RVVXFMXBDOLXPT-PWDRSIHYSA-N	400.265	4.658	50	20	HJGD	
N#Cc1ccc(Oc2cccc(NC(=O)NNc3cccc(F)c3[N+](=O)[O-])c2)cc1	790502997	YZDLDVSHJZKPCO-UHFFFAOYSA-N	407.361	4.546	50	20	HJGD	
CCCNC(=O)c1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1Cl	792258267	CKMWBLSJHRZSMA-UHFFFAOYSA-N	415.708	4.935	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H](Sc1ccc(F)cc1)c1ccccc1	803436232	XEDCECVLRZNIOY-OAQYLSRUSA-N	419.481	4.644	50	20	HJGD	
CSSCCNC(=O)CCc1cc(C(F)(F)F)ccc1Br	816603077	YRZICPWYZDHYPD-UHFFFAOYSA-N	402.301	4.528	50	20	HJGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)c1ccc(N2CCCOC2=O)cc1	816627522	QAEMCMRTAUREIS-QGZVFWFLSA-N	402.922	4.892	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)Cc2cc(Br)ccc2F)cc1	914489794	ZDFBAOBZFHQCCK-GDNBJRDFSA-N	417.278	4.552	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)cc1	914871307	ARMIVMOAGUWIAW-LANLRWRYSA-N	422.525	4.913	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cc(Br)ccc1F	916336914	SLBHNOGGMRIYQD-CYBMUJFWSA-N	415.262	4.659	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OCC#N)c2)c(C)n1-c1ccc(F)cc1	916410939	JFAVSCKLSSUUEP-CPNJWEJPSA-N	414.440	4.681	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2N2CCCC2)c(C)n1CC(C)C	919993231	ZDVFPPWUQBXAIA-UCQKPKSFSA-N	404.558	4.585	50	20	HJGD	
O=C(NN=Cc1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(COc2ccccc2)o1	1317700392	VFKBWBPPRKYQHE-UHFFFAOYSA-N	420.856	4.666	50	20	HJGD	
C[C@@H](CBr)C(=O)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1	1786066370	ZJJJPGDUSNVAFY-HNNXBMFYSA-N	421.379	4.732	50	20	HJGD	
Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)cc1F	1788582110	AASOCIXMCLJGPW-HXUWFJFHSA-N	420.887	4.735	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCOc3ccccc3)CCC2)cc1	1790485812	MGXLMRQLORUXTN-FQEVSTJZSA-N	414.933	4.607	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccsc2)[nH]n1	1815317791	INGMANIPFCAJSW-NVXWUHKLSA-N	422.982	4.504	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2csc(-c3ccc(F)cc3)n2)cc1	17699211	APAWOGIFRVBVNY-LFIBNONCSA-N	421.453	4.672	50	20	HJGD	
Cc1cccc2cc(C=NNC(=O)c3cc(F)ccc3Br)c(Cl)nc12	728438504	YBJFHVZVOGLLJK-UHFFFAOYSA-N	420.669	4.862	50	20	HJGD	
C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)C(C#N)=C1Nc2ccccc2N1	728985166	IAUUAEAVECELGV-JTQLQIEISA-N	423.479	4.527	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1	730595804	FTHXNSCUXCSGCB-CABCVRRESA-N	408.354	4.732	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cnc3ccccc3c2)c1C	730698872	LHOQOSBQBQWCOU-SXOHWRJOSA-N	403.482	4.511	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1c(O)cccc1Cl	731834750	WXKDSQSIPYZASP-UHFFFAOYSA-N	409.589	4.584	50	20	HJGD	
N#C/C(=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1nc(-c2ccccc2)no1	731938738	RTLAUWDULVRWMW-GDNBJRDFSA-N	418.254	4.953	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3cccnc3)c2C)cc1	733153186	JNNAYEOVKKSIFC-GFHXCNCHSA-N	414.509	4.672	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1ncccc1Cl	734246017	KSFFEYVWSXHCAQ-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	746700473	VZMTWWRHCAYEQG-FQEVSTJZSA-N	410.832	4.690	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)C1(c2cccc(C(F)(F)F)c2)CC1	748202939	FEZNGXXXQXLPCW-UHFFFAOYSA-N	417.200	4.782	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2ccccc2C(F)(F)F)nn1-c1ccccc1Cl	748213253	ZLXSQUHHKPZCNF-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccc3C)C2)c1C	750769885	YPSNXUZJYAWTPT-XUKDIZMZSA-N	405.542	4.544	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	765145716	FBULNNIZSLDBFO-INIZCTEOSA-N	400.866	4.557	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc2ccccc2n1)c1ccc(Cl)c2ccccc12	765919421	RCAODUPOMFQQGK-AWEZNQCLSA-N	418.884	4.747	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc3ccc(Br)cc3n2)cc1	771521174	RBTDSQDODRNUCW-RVDMUPIBSA-N	422.282	4.942	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2OC)c1C	776406896	BPEAPMXYOHUERN-DUPVFGOHSA-N	401.894	4.520	50	20	HJGD	
COCCN(Cc1ccccn1)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	776487234	GRIGQSSAXSEZEZ-CJLVFECKSA-N	420.557	4.587	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2ccc(Br)cc2[nH]1	779207364	UFCNVPDLUUCGEP-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)NNC(=O)C(C)C	782576519	DFWKECDVGBNZJR-UHFFFAOYSA-N	411.481	4.540	50	20	HJGD	
Cc1c(Cl)cc(F)c(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1F	782821395	PMWCENUBRKEZDI-UHFFFAOYSA-N	415.827	4.735	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	786044738	QKJMAQJALOFBSJ-OQLLNIDSSA-N	409.294	4.545	50	20	HJGD	
Cc1cc(OC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-]	790663843	WUVJYQLIOQBSMN-UHFFFAOYSA-N	400.431	4.788	50	20	HJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3ccc(F)cc3F)s2)cc1	792258691	HXAWHFUAYMQIKQ-UHFFFAOYSA-N	403.454	4.806	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc4c(=O)[nH]ccc4c3)c3ccccc3n2)cc1	803437008	GLINSCWANRJBJO-UHFFFAOYSA-N	420.472	4.809	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccc(Br)cc3)cc2)n1	810042015	IZPRTELCOOGTDC-UHFFFAOYSA-N	403.305	4.715	50	20	HJGD	
CCN(C(C)=O)c1nc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)cs1	810252944	XBPZJYXSJBDHCQ-WMZJFQQLSA-N	400.813	4.647	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)c1	810532794	XXNLJFGYXGKDGC-UHFFFAOYSA-N	405.445	4.957	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1	811557872	IBSPNIZOUZOFPP-OWCLPIDISA-N	411.593	4.689	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cn3ccc(Br)cc3n2)c(C)c1	811686227	RDZSYPJWNWHQPY-NVNXTCNLSA-N	409.287	4.568	50	20	HJGD	
Cc1nn(C)c(Cl)c1C=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	812487204	WPYBUOWIHDJLHV-UHFFFAOYSA-N	421.863	4.500	50	20	HJGD	
COc1cccc(-c2n[nH]cc2C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1	814770013	NHUCKWGRABWLDA-UHFFFAOYSA-N	420.469	4.717	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1C	857995859	VLHYSUMCJOGROV-HMAPJEAMSA-N	420.557	4.526	50	20	HJGD	
Cc1ccccc1NNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl	865526200	MYLOTKHHWWLNIQ-SFHVURJKSA-N	408.329	4.590	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cccc(C#N)c2)c(C)n1-c1ccccc1F	914494674	ONXLQHOTJCICNS-LPYMAVHISA-N	412.468	4.671	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](c2ccsc2)N(C)C)c(C)n1C1CCCCC1	914505761	HBYKVPLSIHFZQY-FJWZAKCXSA-N	424.614	4.998	50	20	HJGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1	915843120	RPTLUKXQYBALES-HAKPAVFJSA-N	412.467	4.540	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cc(C)c(OCc2ccccn2)c(C)c1	915958067	KUFZKKSKCHMXSE-UHFFFAOYSA-N	423.900	4.703	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1cc2ccccc2o1	916227916	OTRTVESVYYIRRB-OAQYLSRUSA-N	402.410	4.757	50	20	HJGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	916273506	HHXXBFGKSLMUFZ-UHFFFAOYSA-N	407.477	4.643	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cs1	917561825	OLSPWLBTJBCTLR-UVTDQMKNSA-N	424.432	4.652	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc(NC(=O)C3CC3)cc2)c(C)n1CC(C)C	919844693	DPYARIJAFIQJFM-UDWIEESQSA-N	405.498	4.622	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2cc3ccccc3s2)c1C	920473743	WQNFXNILMOMKGW-UWSDUSPXSA-N	407.539	4.750	50	20	HJGD	
COc1cc(NNC(=O)c2cc(Br)c(Cl)cc2OC)ccc1Cl	1116844735	UWUMJDUILGXOGG-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
CC(C)c1ccc(C2(O)CCC(=NNC(=O)c3cncn3-c3ccccc3)CC2)cc1	1253590795	FRBRKSUENKKCFS-UHFFFAOYSA-N	416.525	4.543	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(CCC(N)=O)cc2)c(C)n1C1CCCCC1	1318237469	MLIXPXDJODCJFK-QNGOZBTKSA-N	418.541	4.574	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2cncc(Br)c2)cc1)c1ccccc1	1324453999	YAGYEUKQRLOTPZ-CQSZACIVSA-N	412.287	4.741	50	20	HJGD	
C[C@@H](CBr)C(=O)Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1	1786070515	UPVXDMLJKVGPCK-ZDUSSCGKSA-N	421.360	4.527	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)cccc2F)[nH]n1	1815324089	JDHPSJSSONSLIU-WMLDXEAASA-N	420.916	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1	1825298130	GUQJKDMRHCVPRT-CLJKYYQGSA-N	423.022	4.789	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2cccs2)CC1	1830301967	AUCQPWVHURBHFE-HEQKZDDYSA-N	423.022	4.789	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)CCCC[C@@H]1CCSS1	11385633	MWLQWRJFPCBCJC-CYBMUJFWSA-N	417.980	4.853	50	20	HJGD	
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NNc1ccccc1[N+](=O)[O-]	15423356	DLOSBAUGIFFBHA-UHFFFAOYSA-N	418.428	4.958	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)c1C	107889693	GOLVIELTZZCIJP-LRNUJMCPSA-N	423.557	4.951	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(F)c2)c1C	211837878	ZFIUEZWFBQZKEE-LSPINASFSA-N	411.477	4.522	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2N2CCOC2=O)c(C)n1CCC(C)C	726506674	JJVXMADQADNOSS-XSFVSMFZSA-N	420.513	4.653	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1SC(F)(F)F	727792490	FWVBYGIHPQBZNN-UHFFFAOYSA-N	409.216	4.680	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCCCC#N)c(C)n1-c1cccc(C(F)(F)F)c1	728850406	QNEAGVLZQQTGOV-LDADJPATSA-N	414.431	4.830	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)cc2F)c1	730596863	ZCHXVKOTCVHYNG-UHFFFAOYSA-N	417.509	4.722	50	20	HJGD	
O=S(=O)(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(CCCl)cc1	732047466	OPNBFFNALJKHCE-UHFFFAOYSA-N	411.914	4.812	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(-c3ccccc3Cl)o2)c1C	734256982	WXBIEKKJNKVJEM-UHFFFAOYSA-N	419.872	4.826	50	20	HJGD	
C[C@H](CCC(C)(C)C)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	736258811	PKGZTNIJHIKLCN-KETZHDHUSA-N	403.530	4.702	50	20	HJGD	
CC(C)(C)CC(=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1	741771331	MRDCPMGLEVIOIF-UHFFFAOYSA-N	421.950	4.706	50	20	HJGD	
COc1cc(OC)c(NC(=O)NNC(=S)Nc2cccc(C(C)C)c2)cc1Cl	741865346	GDGXYOWZADDIRA-UHFFFAOYSA-N	422.938	4.504	50	20	HJGD	
Cc1ccc(-c2nnc(-c3ccc(C(=O)NNc4ccc(F)c(F)c4F)cc3)o2)cc1	748215512	KTQSECPITVRZQF-UHFFFAOYSA-N	424.382	4.886	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1cc(Br)sc1Br	748314114	DEPHHTSIKDMQPM-UHFFFAOYSA-N	410.518	4.683	50	20	HJGD	
CCc1c(C(=O)NNc2ccccc2Cl)cnn1-c1ccc(Br)cc1	748318808	QIXNJWKJCUNJCW-UHFFFAOYSA-N	419.710	4.608	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)c1	748413005	MVAYCABFPIZWDE-UHFFFAOYSA-N	400.482	4.595	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1	748672284	BSMPYCMDBANFJG-FQEVSTJZSA-N	421.566	4.875	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(-c2ccc(Cl)cc2)on1	748731708	NZANGFZSWBQCKV-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc3cnccc23)c2cc(Br)ccc2n1	748758849	IKOBRZWTYJPZOY-UHFFFAOYSA-N	407.271	4.611	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2coc(-c3ccccc3)n2)cc1	749887885	ZJZRDCYVBOVXPR-UYRXBGFRSA-N	409.449	4.690	50	20	HJGD	
COc1cc(Cl)c(/C=C(/C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1Cl	753889105	LKCQPVFPLAWRKE-GHXNOFRVSA-N	413.268	4.577	50	20	HJGD	
COc1ccc(COC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1SC(F)(F)F	754548118	XSIJHFSVRVHEIP-RIYZIHGNSA-N	409.385	4.663	50	20	HJGD	
C[C@@H](C#N)CSc1ccccc1NC(=O)NNC(=O)c1c(Cl)cccc1Cl	756481376	XJVRZWJRFBFJIM-NSHDSACASA-N	423.325	4.712	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	756787955	ABUGQCFRNHNAPU-UHFFFAOYSA-N	424.888	4.703	50	20	HJGD	
Cc1ccc(CNC(=O)CCCC[C@H]2CCSS2)c(OC[C@H]2CCCO2)c1	758160908	AYSJUHHFHCIJFV-MOPGFXCFSA-N	409.617	4.883	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	760872238	DZBFNNJZCKNQKY-UHFFFAOYSA-N	423.831	4.870	50	20	HJGD	
CC(C)(C)c1ccc(Oc2ccc(C(=O)NNc3ncnc4ccsc34)cn2)cc1	766681048	WUAKYGLNUGBACN-UHFFFAOYSA-N	419.510	4.933	50	20	HJGD	
O=C(NNc1ccccc1F)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	770030818	NJITYTDWBIEOKO-QFIPXVFZSA-N	418.472	4.952	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(F)cccc1Cl)c1ccc(OCc2cccnc2)cc1	771291178	VGPMRJSNRDTEJW-CQSZACIVSA-N	414.868	4.840	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2)ccc1NC(=O)OC(C)(C)C	772415274	XIBXUXIUSVJECO-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
C[C@H]1CCCCN1CCCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777856748	GKYOYCDCNOMDKV-ZDUSSCGKSA-N	422.485	4.887	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1ncc(-c2ccccc2)o1	779591652	QNQNNQCTZDVZFW-GFCCVEGCSA-N	406.364	4.628	50	20	HJGD	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)/C(C#N)=C/c1ccc(O)cc1	787290745	RRKZMQOWBJFLEY-LTGZKZEYSA-N	415.493	4.826	50	20	HJGD	
O=C(NN=Cc1cnn(Cc2ccccc2)c1Cl)c1ccc(Cl)cc1Cl	788977150	KUBJKAUJFPGHOK-UHFFFAOYSA-N	407.688	4.656	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCCSc2ccccc2)c1C	790090869	PUIQNSZHHUJSEG-SXZORUHJSA-N	411.571	4.518	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccccc1NCc1ccccc1Cl	791066786	KOMHLFXKQZEOKZ-UHFFFAOYSA-N	414.824	4.756	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccccc1Oc1ccncc1	801176626	MYKPRKDHULYXHL-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	802828504	OGUMFJGUNBAONA-UHFFFAOYSA-N	400.404	4.527	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)NNc3ncccc3F)ccc2OC(F)F)cc1	806170286	PUMFNCKVOAZXQD-UHFFFAOYSA-N	418.375	4.646	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)c(OC)cc2Cl)c1C	809203739	GUCQEOHCCFZIJX-QANDDYDISA-N	415.921	4.828	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)cc1Cl	816083922	JNJPBVZCSKHCER-UHFFFAOYSA-N	405.285	4.728	50	20	HJGD	
COc1ccc(NNC(=O)CCc2nc(C)c(-c3ccccc3)o2)c(C(F)(F)F)c1	816703363	BBJKJQDBVWERSQ-UHFFFAOYSA-N	419.403	4.753	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1	817921425	WMOGFGHMIKZIPZ-UHFFFAOYSA-N	404.495	4.756	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3ccccc3OCc3ccncc3)cc2C1	914693838	QOGYQMARJKWXHC-MRXNPFEDSA-N	405.523	4.611	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCN(CC(C)C)CC2)c(C)n1C1CCCCC1	914879267	CGJVJJFZUGKSDO-JCMHNJIXSA-N	410.606	4.754	50	20	HJGD	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C(/C#N)C(=O)N1CCCC1	915847850	TWZHQSQQDWPYEF-LCYFTJDESA-N	423.731	4.729	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccco3)cs2)c(C)n1C[C@@H]1CCCO1	916056370	GICAUPIFPRZBJD-BHEJFATLSA-N	422.510	4.546	50	20	HJGD	
Nc1ccc(C(=O)NN=Cc2sc(Nc3ccccc3Cl)nc2Cl)cc1	916264189	BTZGCPFDOWULSY-UHFFFAOYSA-N	406.298	4.540	50	20	HJGD	
COc1cc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)cc(Cl)c1OC	916349514	NXDDUEWGXKKJDY-UHFFFAOYSA-N	415.902	4.553	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3nccs3)c2C)cc1	917953415	PUIRDYZAMHJRPQ-PDGQHHTCSA-N	407.495	4.600	50	20	HJGD	
O=C(NCc1cccc2c1OCO2)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918542751	ZFHPWXIJLJKVNG-OAHLLOKOSA-N	418.824	4.956	50	20	HJGD	
N#Cc1ccc(CSc2ccccc2C(=O)NNC(=O)c2ccccc2Cl)cc1	1115812200	DKPLTKGPJFADJE-UHFFFAOYSA-N	421.909	4.579	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ccc(Oc2ccccc2)cc1	1115949984	YCSCEQKEFJJORY-HNNXBMFYSA-N	409.873	4.838	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)ccc1Br	1116348654	JYINWHCEHAIYDC-UHFFFAOYSA-N	419.710	4.568	50	20	HJGD	
CCCN(Cc1ccc(OCCCCl)cc1)Cc1nc(O)c2sccc2n1	1347373640	VJDJJZXHFAHVCP-UHFFFAOYSA-N	405.951	4.817	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3)CCC2)cc1	1786443362	HNKPUASOQAXYAV-FQEVSTJZSA-N	413.949	4.556	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CCC1	1788913907	QBUNBEVBDSHNIF-IBGZPJMESA-N	409.917	4.933	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccoc4c3)CCC2)cc1	1790485645	CTJVZIJNAAPHAV-KRWDZBQOSA-N	411.889	4.593	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cccc3F)CCC2)cc1	1790489951	NJOYFGRITHNAPY-HNNXBMFYSA-N	406.860	4.730	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccccc3)CCCC1)C2	1793677349	KXULCYAQMADNPP-PLACYPQZSA-N	416.993	4.544	50	20	HJGD	
CN(Cc1csc(Br)c1)S(=O)(=O)c1ccc(CCCCl)cc1	315954989	VSMXOWORMXPTHD-UHFFFAOYSA-N	422.797	4.503	50	20	HJGD	
O=C(CCCOc1cccc2ccccc12)NNC(=O)c1c(Cl)cccc1Cl	727792038	GAPOBGVHHHFNKO-UHFFFAOYSA-N	417.292	4.767	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2ccc(N(C)C(N)=O)cc2)c(C)n1C1CCCCC1	728274216	OHKFIEJCYMMUMX-RGEXLXHISA-N	420.513	4.638	50	20	HJGD	
Cc1ccc([C@H](NC(=O)NNc2ccc(Cl)nn2)c2ccc(F)cc2Cl)cc1	731118396	BOJQROXTECQVTN-SFHVURJKSA-N	420.275	4.647	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)c1cccc(C(F)(F)F)c1	731220695	PFGJFBYIAUFZQX-GOSISDBHSA-N	421.463	4.711	50	20	HJGD	
COC(=O)NNC(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl	732438376	JPDQYPPPBUZSJC-UHFFFAOYSA-N	404.637	4.832	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(C(F)(F)F)CCCCC2)c(C)n1C[C@H]1CCCO1	735249237	SZFPRWOWGYZABJ-TVNWYLLRSA-N	423.479	4.572	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc([C@@H](C)OCC)n2)c1C	736758111	TZRQXHGTDBSYGG-VHWUNXFSSA-N	401.532	4.719	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	740087827	OZKIDKYDVWJBGE-UHFFFAOYSA-N	417.347	4.509	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)Nc1ccccc1F	743057780	DGVLUKAJUWYYQO-MJSCBBHESA-N	400.837	4.583	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1ccc(-c2ccncc2)cc1	746427635	SILSHVJTJZEXGM-KRWDZBQOSA-N	410.477	4.607	50	20	HJGD	
COc1cc(C(C)=NNC(=O)c2cc(-c3ccccc3)on2)ccc1SC(F)F	746489966	LIQMHDLMMJCEIN-UHFFFAOYSA-N	417.437	4.819	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1NC(=O)c1ccccc1F	746700361	WEQLBMHDFLAKGX-UHFFFAOYSA-N	417.362	4.561	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@H]1CCc2c(O)cccc21	762676778	KBAOHIRTKVSEOG-AWEZNQCLSA-N	422.375	4.792	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1c[nH]cc1-c1ccc2c(c1)OCCO2	763617208	GSMPLDUVAXKHKD-UHFFFAOYSA-N	404.253	4.517	50	20	HJGD	
COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@@H](Br)C(C)(C)C)cc1	767005314	HPMYORFTKOFTFT-QGZVFWFLSA-N	420.303	4.663	50	20	HJGD	
Cc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)N3CC=C(C#N)CC3)n2)cc1	767119614	MFADXDHYEZBWGN-JOCHJYFZSA-N	414.534	4.954	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(NC(=O)c2ccco2)cc1	769944713	DSVUTFUGXKYZBY-UHFFFAOYSA-N	404.348	4.699	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(-c2cccc(Cl)c2)on1	771689832	XXQBEZRSVJQZDV-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)c1ccc(Cl)cc1F	773148315	DIHOJRZYVUPUCB-XCVCLJGOSA-N	408.610	4.760	50	20	HJGD	
COC(C)(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773336303	XLDWMMKFCRSIND-SNVBAGLBSA-N	404.401	4.602	50	20	HJGD	
O=C(NN=Cc1ccc(Oc2ccccc2)o1)c1cc(F)ccc1Br	779772308	FYTIQTXRIXDSNG-UHFFFAOYSA-N	403.207	4.737	50	20	HJGD	
CO[C@H](C)c1nc(COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cs1	782427823	RFBBJTGXLLYTDM-KLSKMWHSSA-N	415.559	4.965	50	20	HJGD	
CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782986272	FDGFTJCRUCWRHW-ZDUSSCGKSA-N	411.458	4.665	50	20	HJGD	
Cc1ccc(-c2ncccc2NC(=O)C(=O)NNc2cc(Cl)ccc2Cl)s1	783368513	XMCHCOQDGJPLBI-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
Cc1cc(F)ccc1COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	784950101	YWSILCODHKBYTG-MOSHPQCFSA-N	414.440	4.562	50	20	HJGD	
Cc1sc(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)nc1-c1ccc(Cl)cc1	787159732	MSPREXGXJSKAHH-MHWRWJLKSA-N	409.898	4.701	50	20	HJGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3cccc(Br)c3)cc2)n1	787182319	CKSUOKPHASWXRY-PTNGSMBKSA-N	423.270	4.521	50	20	HJGD	
COc1cc(C(=O)NN=C2CCC(N(C)Cc3ccccc3)CC2)ccc1OC(C)C	797785738	RSANWICAOZBCFN-UHFFFAOYSA-N	423.557	4.643	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCC(N(C)Cc4ccccc4)CC3)n[nH]2)cc1	797787663	YPMVOGBTGZHVLR-UHFFFAOYSA-N	415.541	4.546	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3cn(C(C)C)nc3C)cc2)cc1	799104375	PMXOUJZKAGQCFZ-UHFFFAOYSA-N	420.513	4.514	50	20	HJGD	
CC(C)(C(=O)NNc1cccnc1Cl)c1csc(-c2cc(F)ccc2F)n1	810493408	BFCBXADAFPOJSD-UHFFFAOYSA-N	408.861	4.558	50	20	HJGD	
COc1cccc(-c2noc([C@@H](C)NCc3ccc(OCCCCl)cc3)n2)c1	811495450	LMXBPTGDOKCVLS-OAHLLOKOSA-N	401.894	4.604	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1csc(NC(=O)c2cccs2)n1	812765001	RIVYPJUBBAYJKN-UHFFFAOYSA-N	414.556	4.575	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@@H]1CCCCC12CCCC2	812869386	ZAFDVKJURGBZJA-QGZVFWFLSA-N	412.559	4.566	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)c1	819557106	LDOTYDAKYGHXJO-UHFFFAOYSA-N	423.904	4.616	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2coc(-c3cccc(F)c3)n2)c1C	914623113	VWARQGNHDJUDFX-GRSHGNNSSA-N	407.445	4.959	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccc(Br)s1	916295120	LZVZOWXCKZWJLI-UHFFFAOYSA-N	415.312	4.707	50	20	HJGD	
CCNC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c(C)c1	917780781	PUSRRMAUZBNAJA-HYARGMPZSA-N	420.557	4.755	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cc(-c3ccccc3)no2)c(C)n1CC(C)C	919715462	XBWAUEXLDNKOJV-SRZZPIQSSA-N	402.498	4.639	50	20	HJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(OCc2cc(C)c(C(=O)O)o2)cc1	1318327089	MVQSRBCWAMJRGG-LDADJPATSA-N	401.418	4.964	50	20	HJGD	
O=C(CCc1ccccc1Cl)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1787803362	MLOOUZKIMCPHOW-IBGZPJMESA-N	423.315	4.941	50	20	HJGD	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(OC)c1O	139478634	TXGYVYHJJQKYBO-GDNBJRDFSA-N	402.372	4.694	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1	727716960	NFBGTZGJDFQPOV-QHCPKHFHSA-N	404.535	4.690	50	20	HJGD	
COc1cc(C=NNC(=O)c2c(Cl)cccc2Cl)ccc1OCC(F)(F)F	727778624	CGVUBRKJYFLASY-UHFFFAOYSA-N	421.202	4.707	50	20	HJGD	
O=C(NC[C@@H](O)c1cccc(F)c1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	728735069	JUGJOOPVJFDYTG-HIFRSBDPSA-N	422.831	4.900	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(Cl)ccc2OC)c1C	729361335	JBFMXZUFMGIVHJ-UPAIAECRSA-N	416.905	4.625	50	20	HJGD	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NNc1ccccc1	732266040	DXIQCNDAKNWBEF-UHFFFAOYSA-N	403.866	4.858	50	20	HJGD	
CC(C)NC1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	732416463	NBBFHEZHUSBLON-OAHLLOKOSA-N	409.905	4.900	50	20	HJGD	
CN(C(=O)CCCC[C@@H]1CCSS1)[C@@H](c1cccc(F)c1)c1cnn(C)c1	737829884	DKVFIADZUDXVFY-QUCCMNQESA-N	407.580	4.821	50	20	HJGD	
CCN(Cc1ccccc1)c1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1	740140073	LAXQTPLQWUIMCJ-UHFFFAOYSA-N	414.431	4.884	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccncc2)c(C)n1-c1ccc(F)cc1	743723254	QNTRBAULTSWCCI-RHTHQAGFSA-N	402.473	4.755	50	20	HJGD	
CC(C)Sc1ccc([C@H](C)NC(=O)NNC(=O)c2ccc(Cl)cc2F)cc1	747500987	PJEZKNIQDXBEIM-LBPRGKRZSA-N	409.914	4.685	50	20	HJGD	
O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NNc1ccc(Cl)cc1Cl	748017624	GXCYJAPRXNERHY-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NNc1ccc(F)cc1Br	748077533	VGHGXZLPFFEVQD-UHFFFAOYSA-N	424.657	4.582	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2cccc(F)c2)c1	748089012	WFFOTHYVGYYKAZ-UHFFFAOYSA-N	404.420	4.883	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)c1cccc(C(F)(F)F)c1	749564978	LRZXTRLUGNYVTL-GOSISDBHSA-N	419.403	4.793	50	20	HJGD	
O=C(NN=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)c1cccnc1	751351456	FNJVZPKPCFHIRW-UHFFFAOYSA-N	421.460	4.504	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1	752056532	FQJBEUYEIIZEID-FOWTUZBSSA-N	411.864	4.651	50	20	HJGD	
O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)c1cc2ccccc2o1	754064095	LPFBQPYULLGJFQ-UHFFFAOYSA-N	419.264	4.554	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c(C)n1C1CCCCC1	754406576	PHHWVUWGPKRSBU-LKZQPVPRSA-N	410.606	4.706	50	20	HJGD	
Cc1nn(C)cc1/C=C(/C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	755407943	UVRZVRIOKMGCNE-WZUFQYTHSA-N	418.309	4.705	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)Nc1ccccc1Cl	755572586	NKGGRONKSSZEAC-YRNVUSSQSA-N	418.671	4.773	50	20	HJGD	
O=C(NN=Cc1cccn1Cc1cccs1)c1ccc(Br)cc1Cl	755702111	YETDJIKDMBVLJS-UHFFFAOYSA-N	422.735	4.778	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	757916302	SNPIIFLJXOFVBQ-UHFFFAOYSA-N	417.403	4.738	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(OC)c(O)c2Br)cc1	761015882	RSPBVPJCSWJNNC-LFIBNONCSA-N	400.272	4.906	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C/c3cc(F)ccc3Br)nc(O)c2c1C	761199150	CQLQWUBZYAEXOT-VZUCSPMQSA-N	404.264	4.980	50	20	HJGD	
CC[C@@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccncc1	762668110	UFXKYHMZUIHGLS-CQSZACIVSA-N	409.380	4.945	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1	763077704	GLHSYEPAWXOVMX-GDNBJRDFSA-N	423.469	4.902	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC(C(F)(F)F)CC3)s2)cc1	766018951	OAXSIJKLOFPJBZ-UHFFFAOYSA-N	411.449	4.844	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	768007832	ORZWADOCTKYWRN-UHFFFAOYSA-N	412.126	4.816	50	20	HJGD	
C[C@@H](CC(F)(F)F)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	768293643	OLDPIWYEZCGCMH-ZETCQYMHSA-N	400.291	4.740	50	20	HJGD	
CN(Cc1ccc(O)cc1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772952947	HSLFVOMJEFMUCA-UHFFFAOYSA-N	410.364	4.647	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(\C#N)c2cc(SC)ncn2)cc1OC	773176442	MIPHLVSSXOMFSI-AWNIVKPZSA-N	420.332	4.823	50	20	HJGD	
Cc1cc(NNC(=O)c2cnc(Cc3ccccc3F)s2)ccc1Br	773458407	HMEFPAOGAYGGJK-UHFFFAOYSA-N	420.307	4.701	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3ccsc3)CC2)c1C	777080631	MYLIMHUAZFSJNN-MTEVNVADSA-N	411.571	4.687	50	20	HJGD	
COCCN(C1CCCC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777876179	TYOXSSQFQHKCGN-UHFFFAOYSA-N	409.442	4.924	50	20	HJGD	
Cc1cc(C(=O)NNc2ccccc2OC(F)(F)F)c(C)n1-c1ccc(C#N)cc1	779201850	YKAMXKBDEDLZJQ-UHFFFAOYSA-N	414.387	4.621	50	20	HJGD	
CC(C)Sc1cc(Br)ccc1C=NNC(=O)c1cccc(C#N)c1	779774615	YYWLDTOUQABOGQ-UHFFFAOYSA-N	402.317	4.585	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cn(C)nc1C1CCCCC1	783814015	ZBEQKBOXEYMSOG-KRWDZBQOSA-N	404.514	4.539	50	20	HJGD	
COc1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c(O)c1	785490913	IJSVYZORUZYHDA-UHFFFAOYSA-N	405.366	4.859	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	792300747	CGYMEUSFOUXYDW-NRFANRHFSA-N	415.497	4.516	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3c(C)nn(-c4ccccn4)c3Cl)c[nH]c2c1	794698870	LDVVAIYBKOYAHU-GDNBJRDFSA-N	401.857	4.809	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)[C@@H]2CCCOC2)cc1	794883353	KSDIYCKCQSMESL-ZZAWEDPDSA-N	411.505	4.810	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c(OC)c1	794965230	QAJFSXNLKIMNTB-OQLLNIDSSA-N	423.266	4.804	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C	799756422	CKCBNABTWNUCPN-UHFFFAOYSA-N	411.527	4.763	50	20	HJGD	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	804559919	MASKKMXTJROXFM-FOKLQQMPSA-N	407.562	4.804	50	20	HJGD	
O=S(=O)(NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1cccc(S(F)(F)(F)(F)F)c1	813722348	QSVNIXGTSSTYMM-HUBLWGQQSA-N	421.453	4.564	50	20	HJGD	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	875680053	FWJCXGVJERRROA-VNSJDZJPSA-N	420.557	4.676	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc3c(s2)CN(C)CC3)c(C)n1C1CCCCC1	911592341	PXWPPEUOXNXPBF-LDADJPATSA-N	423.586	4.600	50	20	HJGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1sc(-c2ccccc2)nc1C	916349128	KGMIHEOZMLQAKX-UHFFFAOYSA-N	407.495	4.586	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nnc(C(F)(F)F)s2)c(C)n1CCC(C)C	918150652	CWMPJRKHWZGBFO-ZSOIEALJSA-N	411.453	4.567	50	20	HJGD	
CN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918298741	HNRRZJAHKAVUCJ-HNNXBMFYSA-N	422.881	4.565	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc1	918585714	VXMXJZVTHUPFIH-WEKPXBEKSA-N	417.553	4.683	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1c[nH]nc1-c1ccc(Cl)cc1	1317716653	JWOCSLIAKXUINT-OAHLLOKOSA-N	418.884	4.801	50	20	HJGD	
CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CBr)CCC2)cc1	1786255483	NGBQWSJTGASJJG-GJZGRUSLSA-N	409.368	4.588	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccsc3)CCC2)cc1	1790485853	ILFWWSXAAVPKCH-SFHVURJKSA-N	404.963	4.832	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3sccc3OC)CCC2)cc1	1790486755	JKAYTXKROAVRCX-OAHLLOKOSA-N	406.935	4.522	50	20	HJGD	
COC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/C3CCCCC3)cc2)CCC1	1790518110	XDWAVCHUPCSJIH-ZTVSIKPCSA-N	418.965	4.511	50	20	HJGD	
Cc1cc(C)c(C(=O)N2CCC3(CCCN(C(=O)C(C)(C)CCl)C3)CC2)c(C)c1	1805264416	IRCBLHDQNHKARG-UHFFFAOYSA-N	419.009	4.722	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1	1824618612	KDBBJJSWQLMSIH-LXYWVVSTSA-N	423.041	4.984	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(C)c2C)CC1	1826183315	HUGFQGCKZNHDRG-MOPGFXCFSA-N	411.011	4.616	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2C)CC1	1831521365	CRIKQKKDRGZHMY-VXKWHMMOSA-N	419.009	4.565	50	20	HJGD	
CN1C(=C(C#N)C(=O)CSc2nc(-c3ccccc3)cs2)N(C)c2ccccc21	43751145	VCSHFZLQTGOTNV-UHFFFAOYSA-N	418.547	4.793	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)c(Br)c2)cc1Cl	211594583	OAGJCJKVERGZNH-WDZFZDKYSA-N	409.642	4.796	50	20	HJGD	
CC(C)COC(=O)N1CCC(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CC1	303113241	KQQDCEDANFOMHX-UHFFFAOYSA-N	422.740	4.595	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c1	726441945	PPUZKMCINLHFNV-MRXNPFEDSA-N	411.596	4.512	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1	727716167	CLHAQFNYHTXFHG-SILNSSARSA-N	408.498	4.598	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1C[C@@H]1c1ccc(Br)cc1	729515164	VYRUOOYFOWGVKI-CVEARBPZSA-N	416.706	4.898	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCO2)c1nc2cc(F)ccc2s1	730260225	MOCINZXHEUMODJ-XCVCLJGOSA-N	403.232	4.991	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3C)o2)cc1	734307455	ZLBCKEBXYGGSOH-FOWTUZBSSA-N	403.413	4.898	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3ccccc3F)CC2)c1C	736039545	GQJGBLHNAWKWLV-SDLXJUDFSA-N	423.532	4.765	50	20	HJGD	
CC[C@H](NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc(F)cc1	738416044	HRONPODPXGCJHK-IBGZPJMESA-N	408.502	4.920	50	20	HJGD	
Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2Br)c2c(C(C)C)noc2n1	739314876	UKSQRMHRJABHPL-UHFFFAOYSA-N	420.219	4.545	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c(C)n1CCC(C)C	739632028	UATKVLSPTKXYRK-WNOSOOIWSA-N	421.541	4.864	50	20	HJGD	
O=C(CCCOc1cccc(Cl)c1Cl)NNc1ncccc1C(F)(F)F	740091368	LTJSTTFLPPELOD-UHFFFAOYSA-N	408.207	4.710	50	20	HJGD	
CSc1cccc([C@H](NC(=O)NNC(=O)OC(C)(C)C)c2ccc(F)c(F)c2)c1	745903736	MXVNBYNUBNZWAX-KRWDZBQOSA-N	423.485	4.515	50	20	HJGD	
CC[C@H](c1ccccc1)N(CC)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	746203731	SGPKEVPAXMMVPP-OAQYLSRUSA-N	421.497	4.686	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cnc(-c3ccccc3F)s2)cc1C(F)(F)F	746895597	VILZPGNIJWTHQV-UHFFFAOYSA-N	406.364	4.597	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C(=O)NNc3ccc(C(F)(F)F)cc3)c2Cl)cc1	747588583	NZLZKKQUSXSFHY-UHFFFAOYSA-N	422.838	4.977	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCO[C@@H](c3ccco3)C2)c(C)n1C1CCCCC1	753649666	UWODKQVPUXRGOZ-POEBIKTISA-N	407.514	4.710	50	20	HJGD	
COCC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C1CC1	754256709	ZGVRLIMTXWUJSC-UHFFFAOYSA-N	411.552	4.731	50	20	HJGD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cc1	757425078	JHERMPMWCUZLRJ-OAHLLOKOSA-N	424.478	4.722	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(CSc3nc(C)cs3)cc2)c1	759328439	OLPBHKXESJINPI-UHFFFAOYSA-N	403.504	4.648	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)cc3c2OCC3)c(C)c1	764887487	MXLKPVHGXYCMRG-IUXPMGMMSA-N	411.299	4.855	50	20	HJGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNC(=S)Nc2cccc(Cl)c2)C1	766553380	BOYGTXLHRZYRFK-CRAIPNDOSA-N	411.999	4.813	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@@H](Br)C(C)(C)C)c1	767939478	CSQCWPKDSKEPBQ-CYBMUJFWSA-N	403.292	4.921	50	20	HJGD	
C[C@H](CCC1CC1)NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	769281083	CWQHMXHIDLRVQY-QLJPJBMISA-N	408.873	4.539	50	20	HJGD	
COc1cc(/C=C(/C(=O)NNc2c(F)cccc2Cl)c2ccccc2)ccc1O	774084130	SJLPGLRZQJXCHX-FOWTUZBSSA-N	412.848	4.877	50	20	HJGD	
CCOCCC1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	778014119	GJBZPNOHGPTZJN-UHFFFAOYSA-N	409.442	4.829	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c(Cl)c1	779385802	UWQNVTKUCWEJEM-QGZVFWFLSA-N	416.884	4.759	50	20	HJGD	
O=C(Nc1ccc(Cl)c2ncccc12)C(=O)NN(c1ccccc1)c1ccccc1	782822378	XQEYYDICADIJLO-UHFFFAOYSA-N	416.868	4.696	50	20	HJGD	
O=S(=O)(N[C@H](CCO)c1ccccc1)c1ccc(S(F)(F)(F)(F)F)cc1	782982352	WEWPQRMZWNJOHB-OAHLLOKOSA-N	417.421	4.746	50	20	HJGD	
CCn1c2ccccc2c2cc(NC(=O)C(=O)NNc3ccc(Cl)cc3)ccc21	783339539	JWFKSEIDNXLWFS-UHFFFAOYSA-N	406.873	4.550	50	20	HJGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1	785845059	UMXRBAWPNYILJR-UHFFFAOYSA-N	415.252	4.623	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nn(C)c2Cl)cc1	787184900	YGCAXWQWWMRLDV-VUODPORTSA-N	420.900	4.533	50	20	HJGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc(Cl)cc1-c1cccc2ccccc12	789720162	HITOTQBVIVUNPL-UHFFFAOYSA-N	416.868	4.637	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c1C	790078104	BCYABEYCZQUUOS-KDVQLTRESA-N	400.548	4.612	50	20	HJGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cn1	790100589	OREJZKANUMRLKQ-GULXKOIASA-N	403.313	4.629	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(NC(=O)N(C)C)c2C)c1C	791908297	KEVGZIKLIOHHSN-XSFVSMFZSA-N	421.545	4.853	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2c(OC(F)F)ccc3ccccc23)cc1	797304403	JIIVPVNCTQQCPY-NBVRZTHBSA-N	422.431	4.716	50	20	HJGD	
CCc1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)c2c(CC(C)(C)C)noc2n1	800535166	UVGFQZIIBYWCAC-UHFFFAOYSA-N	411.893	4.656	50	20	HJGD	
CC[C@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccccc1	804207865	YUZARWBGZNTVAB-KRWDZBQOSA-N	400.404	4.799	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cncc1Cl)Nc1ccc(-c2ccccc2)cc1	816595907	GAZMNZHDAIKKKN-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)Nc1cccc2ncccc12	853000232	HDFQONAAGJNBMX-LSDHHAIUSA-N	404.557	4.819	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNc1cccc(C(F)(F)F)c1	912641745	MQMBYAWZYDUKNS-UHFFFAOYSA-N	422.838	4.977	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)N1CCn2c1nc1ccccc12	915853622	QUUWLTJAFMJWJN-PGMHBOJBSA-N	420.472	4.569	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ccc(F)cc3F)cc(-c3ccccc3)nc21	916552369	ZUAIBJFQJKRSFJ-UHFFFAOYSA-N	407.424	4.714	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)NC2CCN(C(C)(C)C)CC2)c1C	918653104	FFNIAWKKYVWAFE-CJLVFECKSA-N	418.585	4.689	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1csc(COc2ccc(Cl)cc2)n1	918711629	UIVAMIMYJNWQKJ-UHFFFAOYSA-N	420.321	4.722	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cc3ccccc3s2)c(C)n1C[C@H]1CCCO1	920473730	VNXOCRKAICGOLJ-LYCWOWIHSA-N	419.550	4.722	50	20	HJGD	
Cc1c([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cnn1C	1251798636	KFJSKRUIYRJYHO-HNIBHBHRSA-N	421.932	4.574	50	20	HJGD	
CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)no1	1787544745	XEWQMIWAMCSHQB-UHFFFAOYSA-N	417.937	4.811	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)[C@H]2CC2(F)F)C1	1843853787	VKHJIZGDWLOTMR-QGZVFWFLSA-N	418.956	4.595	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1	6630934	TZXGMBPNWIRQGF-UHFFFAOYSA-N	405.932	4.585	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(-c2ccc3c(c2)OCCCO3)n1	15661441	MPMQSTPGKNXFLZ-GZTJUZNOSA-N	424.460	4.520	50	20	HJGD	
O=C(NNC(=O)c1ccsc1)c1ccc(CSc2ccc(Cl)cc2)cc1	24093832	CTYXPLLVARZXJT-UHFFFAOYSA-N	402.928	4.769	50	20	HJGD	
Cc1csc(/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)n1	169948125	VVVIXAMDTMVOPD-MBXJOHMKSA-N	400.095	4.746	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(C(F)(F)F)c2)cc1OC	727263932	KBXBALZAJWYGGT-GHXNOFRVSA-N	410.779	4.922	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)c2ccc(C)cc2)c1C	728484132	ITUAAOZJYOTYBW-PPRFWAEMSA-N	407.558	4.622	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c1C	732298513	CRZQXLCBPFQUBS-CPYXBQISSA-N	420.340	4.579	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1csc(COc2ccc(Cl)cc2)n1)c1ccccc1	732716551	UZKDILRAAOKRLX-RVDMUPIBSA-N	409.898	4.945	50	20	HJGD	
N#C/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)c1c[nH]c2ccccc12	733083453	JNMHFWZVDRMLQM-ZSOIEALJSA-N	400.419	4.989	50	20	HJGD	
Cc1noc(C)c1[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	733763630	DJWQTTJOGUTELP-YRIIZNAFSA-N	406.461	4.622	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2nccc3sccc23)o1	734248260	NTGJKLJPAUREBN-UHFFFAOYSA-N	415.478	4.807	50	20	HJGD	
Cc1ccccc1COc1cccc(CC(=O)NNc2ncccc2C(F)(F)F)c1	740087318	NJCVGJKHDYYNPT-UHFFFAOYSA-N	415.415	4.674	50	20	HJGD	
C[C@H]1CC(NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C[C@H](C)C1	740511056	XFIOLYAVVHWORP-AGKHESDQSA-N	422.900	4.785	50	20	HJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	746341577	CGUAGNMLFYDVLK-FOWTUZBSSA-N	404.388	4.666	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	747590950	OHJOASGEJOZSJE-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ccc(OC(F)F)cc1	748650584	OBHTYOMKPZQABW-UHFFFAOYSA-N	411.767	4.801	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	758803927	KPXJXKVYHSVVDW-ULQDDVLXSA-N	416.653	4.852	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1	759321156	DIEXHBSNQDENBI-UHFFFAOYSA-N	402.857	4.554	50	20	HJGD	
C[C@H](c1ccccn1)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762647837	UVEPNJDCCOWQKG-LLVKDONJSA-N	409.380	4.897	50	20	HJGD	
CCC(=O)c1ccc(OC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c(F)c1	766551262	SZMAIOBSWHYTNW-FJZBCQJGSA-N	424.472	4.528	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2F)c(C)cc1Br	768482004	STVAVHNHDXTLPZ-UHFFFAOYSA-N	416.088	4.724	50	20	HJGD	
N#C/C(=C/c1cc(O)ccc1Br)C(=O)c1ccc(Br)s1	769774233	SKENYYJQUVGEBA-UITAMQMPSA-N	413.090	4.769	50	20	HJGD	
C[C@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1cccc(OC(F)(F)F)c1	769973835	JJCONYVLJVOWRY-FNNPODNZSA-N	406.242	4.716	50	20	HJGD	
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NNc1c(Cl)cccc1Cl	773694234	JNCXOXKCGZXWOB-UHFFFAOYSA-N	416.692	4.517	50	20	HJGD	
C[C@@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)NNc3cnccn3)c2C1	775278932	OIARAOCHOQYGPM-VXNZKSKFSA-N	421.504	4.905	50	20	HJGD	
CC(C)Oc1cc(Br)ccc1C(=O)NNc1ccc2ccccc2n1	777465349	JPTXPAAALUJKSF-UHFFFAOYSA-N	400.276	4.541	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1cc(NCc2ccccc2)nc2ccccc12	778518362	QPRUMDCVAJLFQI-UHFFFAOYSA-N	403.873	4.652	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Br)c1sccc1-c1ccccc1	779146957	PBBRLSOAVVLMRF-UHFFFAOYSA-N	418.272	4.843	50	20	HJGD	
CCC1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCOCC1	782978838	FPGJFBYULRTFEW-UHFFFAOYSA-N	409.442	4.829	50	20	HJGD	
CN(NC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1)c1ccccc1	783424238	DOPCXNFEYUCEPU-UHFFFAOYSA-N	411.914	4.597	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccc(Br)nc2)cc1)c1ccccc1	788587741	MMNBYUOYIQORFU-CQSZACIVSA-N	412.287	4.741	50	20	HJGD	
C=CCCCCCC(C)=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	788954535	LUCFEMGRPRYVIR-UHFFFAOYSA-N	419.572	4.791	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccnc1OCc1ccccc1F	790806690	KYSQFJSPAILUFH-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
CCOC(=O)c1csc([C@@H]2CCCN2C(=O)CCCC[C@@H]2CCSS2)n1	791913914	OWHWNWDCWUAEPU-HIFRSBDPSA-N	414.618	4.697	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)c1ccc2ncccc2c1	794884153	GYNDNBVFAWZPMV-DEDYPNTBSA-N	412.449	4.923	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	798824958	VNTZFLULERYBEB-SECBINFHSA-N	421.297	4.879	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2-c2nc[nH]n2)c(C)n1C1CCCCC1	813497808	MHHYSKLYGPFZNN-UYRXBGFRSA-N	414.513	4.941	50	20	HJGD	
CCn1c(NNC(=O)c2csc(-c3ccc(Cl)cc3)c2)nc2ccccc2c1=O	814270110	WOSSDPHMPFATHV-UHFFFAOYSA-N	424.913	4.555	50	20	HJGD	
C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	914527893	TUKOCQQUOOIIAN-OVFHLDOESA-N	418.547	4.934	50	20	HJGD	
Cc1cc(C)n(-c2ccc(NC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)cn2)n1	915151553	BOUBEUQVDOUGAF-SRZZPIQSSA-N	416.529	4.504	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(F)c(Br)c1	916348562	AFTBRLRRQJNEDS-UHFFFAOYSA-N	418.291	4.784	50	20	HJGD	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)CCCC[C@H]1CCSS1	916760118	HCVFEHUSPAKPET-INIZCTEOSA-N	415.646	4.812	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cccs1	917596477	UORRCKJSSKFCKH-JMRVSAMVSA-N	410.539	4.938	50	20	HJGD	
CS(=O)(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	918156408	PUXMXXVPZOKQNN-GDNBJRDFSA-N	400.912	4.931	50	20	HJGD	
CC[C@@H](C)c1ccc(-c2cc(C(=O)NNC(=O)NC3CC3)c3ccccc3n2)cc1	920766497	JABHEJWTNDDUQT-OAHLLOKOSA-N	402.498	4.522	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1	1818453385	NTKNYURSLOWDOM-UYAOXDASSA-N	424.932	4.886	50	20	HJGD	
O=C(C(Cl)Cl)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1	1830752349	YYOBTCYMAVPWMD-IBGZPJMESA-N	423.384	4.601	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Cc2ccccc2)CC1	1832037213	BEBCOZLGMBBQIM-BVYCBKJFSA-N	419.009	4.502	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1C	8237001	YFIMLUZWYUPKST-KPKJPENVSA-N	406.269	4.661	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1	15509145	SPIJHICCVUQUSC-QHCPKHFHSA-N	417.896	4.609	50	20	HJGD	
Cc1cccc(COc2cccc(C(=O)NNC(=S)Nc3ccc(C)cc3C)c2)c1	28616886	BSKGUSQJDZCODR-UHFFFAOYSA-N	419.550	4.822	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)c1ccc(Cl)c(Cl)c1	731403797	WHHRXWVZUNJPEB-QGZVFWFLSA-N	412.292	4.547	50	20	HJGD	
N#C/C(=C/c1ncc(-c2cccc(Br)c2)[nH]1)C(=O)Nc1ccc(F)cc1	731939170	VHFUAWCIFSTUEM-LCYFTJDESA-N	411.234	4.524	50	20	HJGD	
Cc1csc(Sc2ccc(NC(=O)c3c(C)nn(CCCl)c3C)cc2)n1	733889477	SGRPFFZAPGOXTD-UHFFFAOYSA-N	406.964	4.907	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3c(cnn3C(C)C)c2)c1C	735293140	QLPRVRXIXCJYJE-YEWRBRKMSA-N	419.529	4.789	50	20	HJGD	
N#C/C(=C/c1cc2c(cc1OC(F)F)OCO2)C(=O)c1c[nH]c2cc(Cl)ccc12	741844850	UNTHTNNMZKWEFQ-JYOAFUTRSA-N	416.767	4.941	50	20	HJGD	
C[C@@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1cccc(-n2cccn2)c1	745928034	RTZQYJKYTCWFQP-HXUWFJFHSA-N	411.509	4.854	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NNc3cccc(C#N)c3)cc12	748044156	KGPMBKWOJRWGIJ-UHFFFAOYSA-N	421.913	4.737	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)c1	748044626	UEEDJALSQUOKLZ-VKAVYKQESA-N	406.445	4.943	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c(C)n1C[C@H]1CCCO1	751350744	DATDGPQNDXOJCB-JSCRXUDPSA-N	417.553	4.596	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1nc(-c2ccccc2)oc1C	753169651	LCWFFCHOEIOJIQ-UHFFFAOYSA-N	400.276	4.732	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCO[C@@H](c3ccco3)C2)c(C)n1C1CCCCC1	753649667	UWODKQVPUXRGOZ-QFXXMJIKSA-N	407.514	4.710	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1	767950964	XHOYPCNOGAEOOT-HUUCEWRRSA-N	406.324	4.600	50	20	HJGD	
Cc1ccc(Cc2nc(C(=O)NNc3ccccc3Br)cs2)cc1	768481357	LPBBXZVFELVVKA-UHFFFAOYSA-N	402.317	4.562	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cc(C#N)cc(Cl)n3)c3ccccc3n2)cc1	768701374	IJBRWPKHSKVWPF-UHFFFAOYSA-N	413.868	4.887	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(c2ccccn2)C2CCCC2)c(C)n1C[C@@H]1CCCO1	769723142	JKLUTSAWJRVVCW-RNHBDSLOSA-N	418.541	4.562	50	20	HJGD	
CCn1nc(/C=C(\C#N)c2nc(O)c3cc(Br)ccc3n2)c2ccccc21	769728972	VEJHSOLRJDUTFU-FMIVXFBMSA-N	420.270	4.532	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)cc1Br)c1cccc(Br)c1	769821640	ZVNCCTRRGKKTRT-UHFFFAOYSA-N	416.500	4.629	50	20	HJGD	
C[C@@H](c1ccccc1)n1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)n1	770065261	DDYWJXAAIYBATI-ZDUSSCGKSA-N	405.380	4.540	50	20	HJGD	
CC(C)c1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)nn1-c1ccccc1	772391739	QCTZLZXRMRAAAT-UHFFFAOYSA-N	405.889	4.954	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc(C)ccc1SC1CCCC1	773620466	QPFMYKCJWAYLMV-UHFFFAOYSA-N	402.491	4.712	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)c(Br)cc1O	776256887	GZBLIJAQGMSAAY-WUXMJOGZSA-N	424.197	4.555	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2OC(F)(F)F)o1	780948558	OASKVOOOQZAPRT-UHFFFAOYSA-N	407.304	4.510	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1	781183360	MCSGNDCMRPNLPX-UHFFFAOYSA-N	412.748	4.975	50	20	HJGD	
COCc1nc(COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)cs1	782346862	FOGVVBHQWFEPFG-GRSHGNNSSA-N	421.522	4.656	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCc2ncsc2C1	782511402	VPMMJYYNUCBEHN-UHFFFAOYSA-N	406.423	4.548	50	20	HJGD	
O=C(Nc1cccc(OC2CCCC2)c1)C(=O)NN(c1ccccc1)c1ccccc1	782821317	LCSHTBBOLRWZDL-UHFFFAOYSA-N	415.493	4.816	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1	787438176	YUPLRVRCLGKEIJ-GHRIWEEISA-N	400.400	4.724	50	20	HJGD	
Cc1cc(-c2noc(CCC(=O)NNc3cc(Cl)cc(Cl)c3)n2)ccc1F	791734535	TWQPBCNWXYDQNP-UHFFFAOYSA-N	409.248	4.567	50	20	HJGD	
Cc1c(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cccc1NC(=O)N(C)C	791913078	GKDLQNGYOLBODC-UDWIEESQSA-N	421.545	4.709	50	20	HJGD	
C[C@H]1Oc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	808957343	DRXAXLXGADRJKQ-BMIGLBTASA-N	422.375	4.921	50	20	HJGD	
C[C@@H]1CN(c2ccc(CNCc3ccc(OCCCCl)cc3)cc2F)C[C@@H](C)O1	811474545	LDPAKDQUZDTPCQ-QZTJIDSGSA-N	420.956	4.737	50	20	HJGD	
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NNc2ccc(Cl)cc2Cl)c1	916648517	JTEIJDWTEAMZSU-LBPRGKRZSA-N	409.317	4.804	50	20	HJGD	
O=P(CCN1CCCN(CC2CCCCC2)CC1)(c1ccccc1)c1ccccc1	917409815	ACEFSGOOMWWUNR-UHFFFAOYSA-N	424.569	4.589	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc(N2CCN(CC3CC3)CC2)c1	919895189	FKJJWQBAPXULBW-NRFANRHFSA-N	419.660	4.871	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc([S@@](C)=O)cc3)c2C)c1	1116135008	AMSPKAQTQNRVOK-BBIFGCKVSA-N	417.534	4.686	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(COc3cc(C)ccc3C)o2)c1C	1117173719	PNBLSKCWAHJTGT-PGNNWUFWSA-N	420.513	4.955	50	20	HJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cc1[N+](=O)[O-]	1317830301	VJCHHUJPGUKIIA-GHRIWEEISA-N	422.448	4.952	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)C(=O)Nc3c(C)cccc3C)cs2)cc1	63275915	FBSWYAMPINPBJB-GZTJUZNOSA-N	419.506	4.893	50	20	HJGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1ccc(Br)s1	254738451	YXXORJWANNROLH-UHFFFAOYSA-N	420.357	4.717	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2cccc(CN3CCC(C)CC3)c2)cc1	727105609	XLKOVGRPHMTKGU-LFVJCYFKSA-N	417.553	4.541	50	20	HJGD	
Cc1ccc(SCCC(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)cc1C	727497569	YQTOJZPCAQMRPW-UHFFFAOYSA-N	417.600	4.591	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2sc3cccc(Cl)c3c2Cl)c1	727497647	DXLWZRZRMCBAPH-UHFFFAOYSA-N	420.346	4.821	50	20	HJGD	
C#Cc1cccc(N(C(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)C(C)C)c1	728247419	DDRKCPWGDPNBTQ-JVMBGAFUSA-N	403.526	4.642	50	20	HJGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1nc(-c2ccccc2)cs1	730573385	GIMDDJAAWMLYSK-CQSZACIVSA-N	406.960	4.631	50	20	HJGD	
Cc1ccc(C[C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c(C)c1	731179503	JMLWMFVHPIMJOR-CSECHGTESA-N	419.569	4.555	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)o2)cc1	731967242	ROGNKZGSZQLYPJ-UHFFFAOYSA-N	417.248	4.531	50	20	HJGD	
CC(C)(C)OC(=O)NCC1(NC(=O)CCCC[C@@H]2CCSS2)CCCC1	732130806	PJFUTPNGACRCBE-OAHLLOKOSA-N	402.626	4.654	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(O)c(Cl)c1	734093981	CAMFRHOWBFWSAJ-UHFFFAOYSA-N	416.868	4.662	50	20	HJGD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)NNc3nccc4sccc34)c12	734249644	FCSDPFWLLXYFLN-UHFFFAOYSA-N	419.466	4.802	50	20	HJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNC(=O)c2ccc(F)cc2Br)cc1	737806250	LBLRSJULTCDOMQ-ZDUSSCGKSA-N	421.310	4.666	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=S)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1	741864616	XHWGJRDAAIELFM-UHFFFAOYSA-N	403.722	4.978	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cccc(Oc2ccncc2)c1	741981454	KBQCQAXLMPXJKC-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
O=C(NNC(=O)C1CCC(c2ccccc2)CC1)c1ccc(COc2ccccc2)o1	742484063	RUHIXAPYTUBZBF-UHFFFAOYSA-N	418.493	4.594	50	20	HJGD	
C[C@H]1CN(c2ccc(NC(=O)NN(Cc3ccccc3)c3ccccc3)cc2)CCO1	743177941	GBIDHRNIRWXKMJ-FQEVSTJZSA-N	416.525	4.655	50	20	HJGD	
COc1cccc(NC(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1	743811794	FGEARDBYZBVNMV-UHFFFAOYSA-N	403.653	4.514	50	20	HJGD	
COc1cc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)ccc1SC	746486008	UNKBKAQAKMDHOA-UHFFFAOYSA-N	417.490	4.989	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cccnc1Sc1ccccc1	748199944	CLUNHCHVRKNNMV-UHFFFAOYSA-N	418.291	4.891	50	20	HJGD	
CC(C)(Oc1ccc(Cl)cc1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748703643	VOCPJSGENGIWAF-UHFFFAOYSA-N	402.800	4.582	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC#N)c(C)n1-c1cc(Cl)ccc1Cl	751393336	SJTOBCJDTHCIHZ-RGZVIEDOSA-N	401.297	4.726	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc(-c2ccccn2)ccc1Cl	755178848	JUQZYOHNWGTFFY-UHFFFAOYSA-N	402.679	4.921	50	20	HJGD	
Cc1sc([C@@H](C)NC(=O)NNC(=O)OC(C)(C)C)nc1-c1ccc(Cl)cc1	756210643	NSVPICBXBODRMJ-SNVBAGLBSA-N	410.927	4.572	50	20	HJGD	
CC(C)[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	762671273	NGSDZZRMCBRYKV-TZMCWYRMSA-N	416.412	4.602	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)NNC(=O)OC(C)(C)C)ccc2OC(F)F)cc1	765112565	GWCLXRVZJDPOSX-UHFFFAOYSA-N	423.416	4.525	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	765915949	PIOZNXKSIOJQKT-HKUYNNGSSA-N	418.335	4.558	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)n1	769974448	LPPXRXIDJHXUOO-GFCCVEGCSA-N	412.346	4.528	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1cccc(NC(=O)c2ccccc2)c1	775511750	JGWLTKSUHZPRSL-UHFFFAOYSA-N	416.268	4.789	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNC(=O)c1cccc(Cl)c1	797790456	PYAHNCNTVRBATD-UHFFFAOYSA-N	424.671	4.685	50	20	HJGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12	798496149	UZJQQNZYBNLBOM-GOSISDBHSA-N	402.498	4.509	50	20	HJGD	
O=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cccc2c1OCO2	800839720	PJHKLTRZJQGKLK-UHFFFAOYSA-N	403.350	4.874	50	20	HJGD	
CC(C)(CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(F)(F)F	802579859	JLUGUIIZTFCPBK-UHFFFAOYSA-N	414.318	4.987	50	20	HJGD	
CC(C)c1ccoc1C(=O)NNc1c(Br)cccc1Br	803385591	FSPGYXGAPYDNNS-UHFFFAOYSA-N	402.086	4.685	50	20	HJGD	
CCCOc1ccccc1[C@H](CC(C)C)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806896533	VCYKEQJSAICZEY-NRFANRHFSA-N	422.529	4.730	50	20	HJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	811688465	XVEYKRLCEVUAIZ-AWNIVKPZSA-N	417.657	4.893	50	20	HJGD	
CC(C)(C)c1n[nH]cc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	815705919	IGYNZTWPLDBBFY-UHFFFAOYSA-N	406.111	4.533	50	20	HJGD	
O=C(CCCOc1cccc(Cl)c1Cl)NNc1ccc(C(F)(F)F)cn1	857488133	ASNUZRVHANUVCW-UHFFFAOYSA-N	408.207	4.710	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)N[C@@H]1CCSc2ccccc21	915896289	MCJGTSFUHXPCQA-MRXNPFEDSA-N	415.584	4.588	50	20	HJGD	
Cc1cc(C=NNC(=O)c2nnc(O)c3ccccc23)c2c(C)ccc(C(C)C)cc1-2	916318317	PCHLHSYKUYERBR-UHFFFAOYSA-N	412.493	4.944	50	20	HJGD	
O=C(NNc1cncc(Cl)n1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	918223104	HAQFYVFZWFNVAM-UHFFFAOYSA-N	422.703	4.853	50	20	HJGD	
C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCC[C@H]1C	918239355	FEEJMMXNDOQNPC-QLQJRFMMSA-N	422.900	4.785	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c(C)n1CCC(C)C	921198108	QIMUVKJAZFRQKP-UOBPLZBXSA-N	403.530	4.812	50	20	HJGD	
O=C(CNC(=O)c1cc(Cl)ccn1)Nc1cccc(S(F)(F)(F)(F)F)c1	1320227643	FBYFPUNEWVPXKH-UHFFFAOYSA-N	415.771	4.761	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccn(-c2ccncc2)n1	1321170767	WIRRLNONJYVGTJ-INIZCTEOSA-N	412.824	4.739	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCCn3cccc3)CCC2)cc1	1786446679	NLCZXXRHGNCXSC-HXUWFJFHSA-N	415.965	4.810	50	20	HJGD	
C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791605276	YSGPXETYWLMQGK-OUKQBFOZSA-N	421.324	4.929	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC	3616359	LDSYCSUGTIGDFT-WUXMJOGZSA-N	407.253	4.565	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2ccc(F)c(F)c2)c1C	14675418	CIJYLLBCHPXCBJ-BFERYNQYSA-N	400.425	4.515	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OC(F)F	32790990	XAGWYVYKEAEEAI-XYOKQWHBSA-N	412.314	4.861	50	20	HJGD	
CCn1c(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)nnc1-c1ccco1	36832823	DPPGKHSXCOSOAK-MCMJHOFTSA-N	423.523	4.561	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)F)c2)c(-c2ccccc2)n1	725754966	KVLJSMJEXAYGGS-LDADJPATSA-N	417.419	4.947	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)NCc2ccccc2-c2ccc(Cl)cc2)cc(C#N)n1C	726784122	QXGWGODVHSHRGS-JAIQZWGSSA-N	414.896	4.749	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2cnc(-c3ccccc3)s2)cc1OC	727255532	ABIHMRWWYHSYMX-UHFFFAOYSA-N	409.511	4.762	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3ccc(F)c(F)c3F)s2)cc1	727760096	WYZJKRSMNHUAPR-UHFFFAOYSA-N	407.417	4.691	50	20	HJGD	
O=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(Br)cc1Cl	728783004	VOPFSQQXFIVMCA-UHFFFAOYSA-N	405.601	4.885	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(/C#N)C(=O)OC3CCCCC3)cc2)oc1C(=O)O	729987245	ICSDWLPZHNYJBF-ATVHPVEESA-N	409.438	4.648	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@@H]1CCN(CC2CC2)C1	731107426	ANDJTAMHZNUJCH-IUODEOHRSA-N	407.889	4.512	50	20	HJGD	
Cn1c(/C(C#N)=C/c2ncc(-c3cccc(Br)c3)[nH]2)nc2ccccc21	731938897	SWLMPKDVAFYJLO-GXDHUFHOSA-N	404.271	4.790	50	20	HJGD	
CC(C)N[C@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	732415913	GIALRMCUMQDPCY-SWLSCSKDSA-N	409.905	4.900	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)C1(c2cccc(Cl)c2)CC1	733808445	QLZRWDWISBBJJS-UHFFFAOYSA-N	400.103	4.931	50	20	HJGD	
C[C@H]1CC(=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CCN1C	741454243	YECBIRSJXFNKNZ-HNNXBMFYSA-N	401.963	4.832	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOC2=O)cc1	741766602	XVJVWWZVCVLRHX-UHFFFAOYSA-N	414.465	4.856	50	20	HJGD	
Cc1ncc(/C=C/C(=O)NNc2c(Cl)cc(Br)cc2Cl)s1	742006015	NEOOHMXMNZABPQ-NSCUHMNNSA-N	407.120	4.677	50	20	HJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)ccc1[N+](=O)[O-]	742006578	RXRFAFQGXRSENW-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1ccccc1C(F)(F)F	743310937	FGMPUXOEPNVXPQ-OAHLLOKOSA-N	414.427	4.742	50	20	HJGD	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNc3ccc(Cl)nc3)cc12	743816353	INCMBZUUNDYUEZ-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(C#N)cc3)c3ccccc3n2)cc1OC	748117891	QMYSRPKUCZKWQQ-UHFFFAOYSA-N	424.460	4.548	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1ccc(Cl)c(NC(=O)c2cccs2)c1	748769195	GAWATSIPGNYABT-UHFFFAOYSA-N	422.897	4.959	50	20	HJGD	
Cc1coc(-c2cc(NC(=O)NNC(=O)c3cccc4ccccc34)ccc2C)n1	757708091	FNRLXTMPSJXNMY-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1cccc(C(F)(F)F)c1	759073486	XBHRNYDNWUEBMN-UHFFFAOYSA-N	402.420	4.946	50	20	HJGD	
COCc1ccc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762635838	QZGPIOJMXJREON-UHFFFAOYSA-N	424.391	4.745	50	20	HJGD	
CC(C)CN1CCO[C@H](CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762969189	RDEUGVIWFDTNTJ-CQSZACIVSA-N	417.444	4.822	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1	767007721	ONVPOTMPDJOETK-ZWKOTPCHSA-N	400.320	4.578	50	20	HJGD	
Cc1cccc(-c2cncc(C(=O)NNc3c(F)cc(F)cc3Br)c2)c1	768572306	SVYWDMSERVOCND-UHFFFAOYSA-N	418.241	4.855	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)NNc2ncccc2Cl)cc1F	769977563	RFBUINPRNVFGHY-UHFFFAOYSA-N	402.813	4.824	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1	771689310	PZJANEUSQYQRTE-UHFFFAOYSA-N	410.232	4.765	50	20	HJGD	
CC(C)Oc1cc(Br)cc(C(=O)NNc2ncc(Cl)cc2Cl)c1	775270494	BTPRMQISDAIYNO-UHFFFAOYSA-N	419.106	4.695	50	20	HJGD	
O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(S(F)(F)(F)(F)F)c1	778018178	RHUZVESZGGLEMU-BFHYXJOUSA-N	419.437	4.580	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(C)c(Oc4ccncc4)c3)c(C)cc2c1	778477415	WSWLZTQXZORFQN-UHFFFAOYSA-N	414.465	4.804	50	20	HJGD	
O=C(NN=Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1F	782242728	MDKVCJIRYHGCPF-UHFFFAOYSA-N	410.758	4.652	50	20	HJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NNc2cccc(F)c2)cc1	783039723	KGQBKEAEHVGLQT-OAHLLOKOSA-N	409.486	4.761	50	20	HJGD	
COc1cc(NNC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)ccc1Cl	790188592	HZGMGZRESOUEGO-UHFFFAOYSA-N	400.866	4.643	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccccc2SC)c1C	791901132	XTFYBVCWPLNXQG-RHLNUJDMSA-N	411.571	4.600	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNC(=O)c1cccc2ccccc12	793547874	APBVVOHHDZNRNN-UHFFFAOYSA-N	419.481	4.570	50	20	HJGD	
C[C@H](C(=O)NNc1c(Br)cccc1Br)c1ccccc1F	801503627	LMRFOCGTUMNXOP-VIFPVBQESA-N	416.088	4.598	50	20	HJGD	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NNc1ccnc(Br)c1	801894631	ZCKHJWNHJLILNP-UHFFFAOYSA-N	416.254	4.502	50	20	HJGD	
Cc1cc(Cl)cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1	804207199	MDIJKNXBARAMRB-UHFFFAOYSA-N	406.795	4.881	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc1	806588886	FPWDLZUAPISWCX-UHFFFAOYSA-N	408.958	4.980	50	20	HJGD	
CC1(C)CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@H]1[C@@H]1CCCO1	809854494	WLTGDEVEURJRMS-KBPBESRZSA-N	421.453	4.922	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1	817871027	WDRZIBHXLRHENV-LQELWAHVSA-N	423.822	4.937	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	818259755	KCJQPBMEGXRSDG-WQLSENKSSA-N	406.314	4.996	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1	864307775	BVYDALRZBPMXRI-XDJHFCHBSA-N	414.486	4.927	50	20	HJGD	
N#C/C(=C/c1c(OC(F)F)ccc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2	915855464	VJCWYOWGBJFDJX-PTNGSMBKSA-N	422.387	4.758	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(SC(F)F)cc2)c1C	916056227	QSOYGEDPZHMJSU-WQRHYEAKSA-N	420.481	4.716	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNC(=O)c1cccc(Cl)c1	916279137	RACKAUWEHNKQEA-UHFFFAOYSA-N	421.715	4.964	50	20	HJGD	
CCCOc1ccc(Oc2ncccc2CNC(=O)NNc2ccc(F)cc2)cc1	916626619	GHKUUDFYRDUFBJ-UHFFFAOYSA-N	410.449	4.628	50	20	HJGD	
Cc1cccc(CCC(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1	916922030	UHSYGBDCABPNNT-UHFFFAOYSA-N	415.868	4.618	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cccc(OCC#N)c3)n2)c1	917622910	GIDFOCARXSMPRT-WOJGMQOQSA-N	414.490	4.875	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OCC(C)C)c2)c1C	917701007	PEEABYWHINECSN-PGNNWUFWSA-N	409.530	4.893	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C3\COc4ccc(F)cc43)n2)c1	918156127	LMZLNVIUXFOGCF-ISLYRVAYSA-N	405.454	4.874	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OC)cc1OC	921258838	CSEINIPUHYQCSP-SDQBBNPISA-N	407.253	4.565	50	20	HJGD	
CCN(CC)C1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)CC1	1318406007	KTOIIDGNEGGSSW-QJOMJCCJSA-N	418.585	4.642	50	20	HJGD	
O=C(NN=Cc1ccc(OC(F)F)cc1OC(F)F)c1cccc2ccccc12	1319058965	NPRAQMIMOVWOJN-UHFFFAOYSA-N	406.335	4.807	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nc(Cl)ccc3F)cc2)CCC1	1786988248	PGSWBZKYMKXESP-AWEZNQCLSA-N	424.303	4.639	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C3(c4ccccc4F)CC3)CCC2)cc1)[C@H](F)Cl	1788588476	UGRZAWVKQGMWSK-SFHVURJKSA-N	418.871	4.526	50	20	HJGD	
CCCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](Cl)CC)CC2)cc1	1830105163	BJTJIPBTKKTXDT-FGZHOGPDSA-N	419.009	4.890	50	20	HJGD	
O=C(CC(F)(F)F)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124737	ZTXKHUKMCYMAIU-UHFFFAOYSA-N	424.935	4.892	50	20	HJGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2c1oc1ccccc12	1847438738	IKMMAKBNHZWWMY-OALUTQOASA-N	424.928	4.666	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(/C=C\C(=O)OCC)cc2)c1C	205773973	RAEXTXYGIKKIPU-DPKZSXGYSA-N	405.498	4.637	50	20	HJGD	
Cc1noc(C)c1COc1ccc(CC(=O)NNc2ccccc2C(F)(F)F)cc1	301219037	WTBDTBGKFHRCQW-UHFFFAOYSA-N	419.403	4.575	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3c(C)cccc3s2)c1C	302897027	PGJZMOHZTKRJPQ-PACYTGELSA-N	408.527	4.776	50	20	HJGD	
CCCn1ccc2cc(NC(=O)/C(C#N)=C/c3cc(C)n(CCOC)c3C)ccc21	302997372	HBRGYFJTCQAMML-KGENOOAVSA-N	404.514	4.662	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1csc(-c2ccccc2Cl)n1	727371455	HEVGAUMIMNOYLX-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
C[C@@H](C#N)Oc1ccc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	727687836	QERYDWFLQLIEGG-AWEZNQCLSA-N	420.296	4.594	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c1C	727805907	CUVHNGMKEUKUDU-UHFFFAOYSA-N	416.308	4.784	50	20	HJGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3ccc(Br)cc3Cl)cc2)n1	729275891	YJDCRNQKBKOBMN-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1csc2ccccc12	730025570	LLXYGHLTYVJYEJ-SNVBAGLBSA-N	408.310	4.913	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1C	731173626	RHWFQYPMXWSZDN-UDWIEESQSA-N	406.530	4.507	50	20	HJGD	
O=C(CCCSc1ccc(Cl)cc1)NNc1ccc(Br)nc1	732838185	LIBUMZNGEHAFSR-UHFFFAOYSA-N	400.729	4.513	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1	732926014	IRKBBXAYKUZXNA-NTUHNPAUSA-N	422.815	4.813	50	20	HJGD	
O=C(NN=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1Cl	733075984	ADYMOOSPGQVEJA-UHFFFAOYSA-N	421.265	4.789	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ncccc3Cl)c2)cc1	734247361	GGBAVLUAAFFRII-UHFFFAOYSA-N	423.900	4.593	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C2c3ccccc3Oc3ccccc32)c1C	734256609	IGPGCATVNWTDAR-UHFFFAOYSA-N	423.476	4.536	50	20	HJGD	
O=C(NN=Cc1ccc(-c2c(F)cccc2F)o1)c1ccc(F)cc1Br	734365378	GXZAPWGYMAPFIA-UHFFFAOYSA-N	423.188	4.890	50	20	HJGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	734865122	MRZMUDPLVGHYAU-CQSZACIVSA-N	415.419	4.503	50	20	HJGD	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1	740139955	AUVHSAAVOXBVQW-UHFFFAOYSA-N	416.334	4.660	50	20	HJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNc1c(F)cc(F)cc1Br	741978390	GCTRZWRMSKVQEX-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
COc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c(F)c1	742005685	FUFRVDDYAGMRLL-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1cccc(F)c1	742070992	GFTKPFBPKLYCBT-SECBINFHSA-N	405.189	4.854	50	20	HJGD	
Cc1nn(C)c(C)c1CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	743084972	UGMBIZLGMZZXDC-AWEZNQCLSA-N	406.861	4.578	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CC#N)C2CC2)c(C)n1-c1cccc(C(F)(F)F)c1	747649313	JUSMPGXUPDOXFW-BOPFTXTBSA-N	412.415	4.535	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccccc1CSc1nc2ccccc2[nH]1	748004986	CNKWDKBQVQWVFT-UHFFFAOYSA-N	419.466	4.520	50	20	HJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ccc(Br)cc1F	748203714	UDZFVDAFFUZRJQ-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
Cc1nc[nH]c1CNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc3ccccc23)c1C	754353490	IBJOJKMOOPJZRY-CIAFOILYSA-N	409.493	4.502	50	20	HJGD	
Cc1cccc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1Cl	754875810	HUIMPMLKSRKVNR-UHFFFAOYSA-N	422.259	4.952	50	20	HJGD	
N#Cc1ccc(C(=O)NN=Cc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1	755674169	GNGPAPAXJPLEDN-UHFFFAOYSA-N	401.278	4.752	50	20	HJGD	
C[C@H](CBr)COC(=O)c1ccsc1NC(=O)c1ccccc1Cl	770374147	WIBWDTNTYVIRAY-SNVBAGLBSA-N	416.724	4.842	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)ccc1OC(=O)c1cccs1	772173144	ZLUANRPPQHGLQR-MHWRWJLKSA-N	407.422	4.905	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c(OC)c1OC	773159247	HTXOKXRSWRXGCB-MDWZMJQESA-N	409.335	4.660	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2OC)cc1Cl	773909362	RFDLWLDYKZNMGE-XYOKQWHBSA-N	421.678	4.665	50	20	HJGD	
COCC1(C)CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782983075	IKRORIZQJLGDCN-UHFFFAOYSA-N	409.442	4.781	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	787051384	XGWQRSZBPQCZFY-GBKYUFMXSA-N	406.844	4.997	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NNc2ccc(Cl)c(OC)c2)c1C	790174284	GXABKZOTHPXTMH-GZTJUZNOSA-N	400.910	4.617	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2oc3ccccc3c2C)c1C	791117503	IWRPSAXIXORIMY-UOBPLZBXSA-N	405.498	4.590	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	793085659	OXCAPPLBHOQWGP-UHFFFAOYSA-N	421.240	4.876	50	20	HJGD	
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NNc3c(C)cccc3C(C)C)C2)c1	794953320	NBHXWSILHMCHLN-IBGZPJMESA-N	408.546	4.814	50	20	HJGD	
O=S(=O)(N[C@@H]1CCCC12CCOCC2)c1ccc(S(F)(F)(F)(F)F)cc1	800166720	VXFCFKMORCNGLR-CQSZACIVSA-N	421.453	4.972	50	20	HJGD	
O=C(NC[C@@H]1CCCCC(F)(F)C1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	813760742	CDHCFJHEPUBSLC-MRXNPFEDSA-N	416.472	4.905	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c1C	916053407	CBVUYYRGWHHCSR-QNGOZBTKSA-N	418.541	4.605	50	20	HJGD	
C[C@H]1CN(C(=O)c2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)C[C@@H](C)O1	918676093	KFIAUMITPJMLHO-FCEWJHQRSA-N	422.616	4.589	50	20	HJGD	
CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCCC[C@H]1CCSS1	918703466	ZNZOOBFCSQTNFJ-PMACEKPBSA-N	407.649	4.609	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(F)c(Cl)c2)c1C	918809237	GLPBGQXYRFBIOM-BFERYNQYSA-N	404.869	4.755	50	20	HJGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	1318903418	WLRUCDHELJDBRN-UHFFFAOYSA-N	413.264	4.594	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(-c3cc4c(s3)CCC4)o2)c1C	1323956857	PZPQMUIJRLETRG-RMNBPEERSA-N	408.527	4.977	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1	1786262240	MYAXYOHSGKKHLS-HXUWFJFHSA-N	411.373	4.937	50	20	HJGD	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](Br)CC)CCC2)cc1	1791254691	WETVEJKLIIZMPP-YOEHRIQHSA-N	407.352	4.506	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](C)CC2)n[nH]1	1822941566	NAYZSPVHEBSRDD-NBOOPKSLSA-N	408.974	4.636	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCC)c1OC(F)F	211535120	MLGRJPZGUBLUJY-QINSGFPZSA-N	402.397	4.631	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1)O[C@@H](C)C2	212965286	ORCIBKQHXHCLPL-IYVNWDGISA-N	416.449	4.879	50	20	HJGD	
CCOc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)ccc1C	727342631	PUMKBEKDIWPISX-FNUHDPNESA-N	407.514	4.537	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2sc(-c3ccccc3)nc2C)cc1	727413002	KYIKYCQMTXUGCZ-UYRXBGFRSA-N	403.507	4.741	50	20	HJGD	
Cc1ccc(SCc2cccc(C(=O)NNC(=S)NCC3CCC3)c2)c(C)c1	727866503	LIJCNBCQMYNEBM-UHFFFAOYSA-N	413.612	4.505	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)cc(C#N)n1C	729418683	BBXAPWGTALZFIV-OVCLIPMQSA-N	415.324	4.513	50	20	HJGD	
CCCCOc1ccc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1OC	730568585	PYSZKGPEGCWDGQ-UHFFFAOYSA-N	423.538	4.690	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1C	731056426	SBRBGKAOVBUBDA-FCKOQQNDSA-N	423.532	4.533	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(-c4nc[nH]n4)cc3)c2C)c1	732160141	QVPPQSKHGBQUKO-FYJGNVAPSA-N	422.492	4.733	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1ccc(CSc2ccccc2)cc1	732837964	CMFJFEYPNAYBKA-UHFFFAOYSA-N	414.328	4.893	50	20	HJGD	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	733666758	BUXWAUHQUPKBJQ-QLQJRFMMSA-N	422.900	4.785	50	20	HJGD	
CN(Cc1ccccc1)Cc1cccc(C(=O)NNc2nccc3sccc23)c1	734248822	XRTINCPSACXQRT-UHFFFAOYSA-N	402.523	4.685	50	20	HJGD	
CC(C)Oc1ccc(-c2nc(C(=O)NNc3ncccc3C(F)(F)F)cs2)cc1	740093107	HXGPRCXVXAIPDL-UHFFFAOYSA-N	422.432	4.768	50	20	HJGD	
O=C(CCCCc1ccc(Br)cc1)NNc1ncccc1C(F)(F)F	740097584	MNIBJMJIPBTZHV-UHFFFAOYSA-N	416.241	4.719	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cc(-c2ccccc2)n(-c2ccccc2)n1	740100852	RNSVCSYPPAAYSQ-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
O=C(NCc1nc(C(F)(F)F)cs1)NNc1c(Cl)cc(Cl)cc1Cl	741090121	OUJLMHSIOAIMMI-UHFFFAOYSA-N	419.643	4.948	50	20	HJGD	
Cc1cc(NNC(=O)[C@H](C)c2ccc(Br)s2)ccc1Br	743415704	DVHZEUNIAYACKG-SECBINFHSA-N	418.154	4.828	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1	743819905	KHQJRYVTKQOXCT-CVEARBPZSA-N	408.354	4.732	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1CSc1nc2ccccc2o1	747987817	MBAUVPQDTDZKOK-UHFFFAOYSA-N	420.450	4.785	50	20	HJGD	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)NNc2cccc(F)c2)cc1	748090473	XKFKBIPMKMXJOT-UHFFFAOYSA-N	409.486	4.622	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1C(F)(F)F	748624202	VLBJAGSESGCUBF-UHFFFAOYSA-N	424.304	4.901	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	748865378	UFXNSAJXBQZQTM-UHFFFAOYSA-N	418.547	4.649	50	20	HJGD	
Cc1cc(Br)ncc1NC(=O)NN(Cc1ccccc1)c1ccccc1	754463638	QARYVXXKARPCMT-UHFFFAOYSA-N	411.303	4.896	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1cccnc1Cl)c(C)n2Cc1ccccc1	754483536	HYSSUVWBFLKWRV-UHFFFAOYSA-N	420.900	4.812	50	20	HJGD	
CC[C@@H](C)c1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1	755807666	QSRCPOGJIQLANU-CYBMUJFWSA-N	415.419	4.828	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1cccc(Sc2ccccc2)c1	756476199	OVHITJHGQDWOMC-UHFFFAOYSA-N	402.479	4.786	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(/C#N)C(=O)Nc2ccccc2F)c1	759641754	FNWJXNLMDPUALR-ATVHPVEESA-N	418.472	4.998	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1	760137336	JOQXQYSDKPUYHZ-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
N#Cc1ccc(Cc2cnc(NC(=O)NNc3c(F)cccc3Cl)s2)cc1	769961348	VRMMUSUBKAUQGA-UHFFFAOYSA-N	401.854	4.547	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)c(F)c1)c1ccc(Br)s1	771689634	TXXMZBOHYCJZTH-ZETCQYMHSA-N	422.117	4.659	50	20	HJGD	
CCCCc1nnc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)o1	775095861	OEAVFGVUHYJRFA-UHFFFAOYSA-N	407.386	4.870	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NNc1ccc2ccccc2n1	777467154	WZQAEPBOYTWRGK-UHFFFAOYSA-N	420.469	4.753	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F	781368102	KQOGMHVYZZGDKG-JKSUJKDBSA-N	407.523	4.653	50	20	HJGD	
CC/C=C/CCOC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	781869169	OSSNKVXUWWDMNW-JDMHHDKXSA-N	408.889	4.924	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	786040441	MUVWRPXYWHJXMN-WOJGMQOQSA-N	405.903	4.617	50	20	HJGD	
CCOC(=O)c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)o1	787178129	OBVOWOLFKVQRBQ-HQQGHWSLSA-N	407.253	4.547	50	20	HJGD	
CC(C)(C)C[C@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(Cl)cc1	806852532	AVMWOYXBSVDVAL-IBGZPJMESA-N	412.921	4.985	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)N[C@H]1CCOC2(CCCCC2)C1	812174625	VHZPEBFDBMJDLP-ZDUSSCGKSA-N	416.747	4.611	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1	864307774	BVYDALRZBPMXRI-CYVLTUHYSA-N	414.486	4.927	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3csc([N+](=O)[O-])c3)n2)c1	917142999	UMXDSPRFRCFEOP-NSIKDUERSA-N	410.480	4.942	50	20	HJGD	
C[C@H](Sc1ccccc1)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788582164	CNECDLGMMYFSSO-KBXCAEBGSA-N	420.937	4.836	50	20	HJGD	
Cc1cccc(CC(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)c1	1789648513	LEUKEIXLHQYVRQ-UHFFFAOYSA-N	424.617	4.523	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1	1790256484	OHIDBPAMSDDIBR-UHFFFAOYSA-N	409.917	4.571	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C(C)(C)c1cccc(Cl)c1	303748094	DQEJJWQJXWHFDI-UHFFFAOYSA-N	413.930	4.511	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)cc(C#N)n1C	725742563	CFACKEWTDCKOQI-IZQLPPHKSA-N	410.477	4.782	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1C	731171702	YKZFRXIIGMCQAT-FYJGNVAPSA-N	420.557	4.897	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)Cc2ccc(C)cc2C)c1C	731181058	ZYGFEIUPVDLAIX-AUIMRCKGSA-N	407.558	4.584	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1cc(-c2ccccc2Cl)nc2ccccc12	735687038	NGYDLDYPMNTNFH-UHFFFAOYSA-N	410.264	4.756	50	20	HJGD	
CC(C)C[C@@H](C(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	740784537	JODMPBOIDRGTLC-MRXNPFEDSA-N	423.738	4.693	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CCc2ccccn2)c(C)n1-c1ccc(Cl)cc1	742389051	DRVHAYLKHXARQR-HKWRFOASSA-N	418.928	4.751	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(CC(F)(F)F)c2)c1C	742827372	ZVCOGOIDHQZVSB-RPJLVFAOSA-N	419.447	4.963	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H](c1ccc(F)cc1)c1cccs1	743630609	WVUUSOPPFZWLGJ-OAQYLSRUSA-N	419.481	4.774	50	20	HJGD	
COc1cc(OC)c(NC(=O)NNc2ccc(Br)cc2C)cc1Cl	743806861	BUOZLTLWVSXAJI-UHFFFAOYSA-N	414.687	4.577	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cc3ccccc3o2)c(C)n1C[C@@H]1CCCO1	746561234	SJWKHMSAVDMUCL-ATEMXAKRSA-N	417.509	4.596	50	20	HJGD	
Cc1ccc(OCc2nc(CC(=O)NNc3ccc(C(F)(F)F)cc3)cs2)cc1	747614983	WCOFVXGOVNFSKQ-UHFFFAOYSA-N	421.444	4.735	50	20	HJGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN=Cc1sc(Cl)nc1Cl	755563912	YAVKBKJTGBIKEC-VIFPVBQESA-N	406.722	4.638	50	20	HJGD	
Cc1cnc([C@@H](C)NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)s1	762677633	ODKVQRGXPXMSPT-SECBINFHSA-N	415.409	4.925	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1cccc(NC(=O)c2ccoc2)c1	775582180	OGIKYFWJDIAGNZ-UHFFFAOYSA-N	405.241	4.987	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](CO)c2ccc(F)cc2)c(C)n1C1CCCCC1	778513153	YHVSRIFKINHNHC-CEMPLAKHSA-N	409.505	4.506	50	20	HJGD	
CO[C@@H]1CCOc2c(NC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)cccc21	791094813	SXQUFFOIEUTADY-GSERBOKHSA-N	407.514	4.777	50	20	HJGD	
Cc1cccc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1Cl	804209625	HUACBMPFAYGNNV-UHFFFAOYSA-N	406.795	4.881	50	20	HJGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(-c3ccccc3)c2)ccc1Br	807005115	ZUCNDOFFCDNUFC-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
OCC[C@H](NCc1ccc(OCCCCl)cc1)c1ccccc1Br	811488648	GYXATWQMLOTGSL-IBGZPJMESA-N	412.755	4.670	50	20	HJGD	
CCCCCC/C(C=NNC(=O)c1nn(C)c(=O)c2ccccc12)=C\c1ccccc1	812420162	UTQBZIXHCQUKQW-FAVMWONFSA-N	416.525	4.703	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCOC[C@H](C2CCC2)C1	813758167	BGUPDSVPXALSOF-CYBMUJFWSA-N	421.453	4.781	50	20	HJGD	
Cc1c[nH]nc1C=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	814705858	PDGGIAGRMXVLMG-UHFFFAOYSA-N	410.477	4.728	50	20	HJGD	
CC(C)[C@H](c1ccccc1)S(=O)(=O)NC(=O)CCCC[C@H]1CCSS1	816108908	QOJGOOZRDZIAOD-FUHWJXTLSA-N	401.619	4.544	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(Br)c(F)c2)sc2ccc(C#N)cc12	816163268	JIJQBTBTJHLAFZ-UHFFFAOYSA-N	404.264	4.740	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1	817908823	PPGLRDLHZVDUIB-UHFFFAOYSA-N	421.526	4.896	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1	917154476	IGXIXCDEBUYLOI-UHFFFAOYSA-N	416.344	4.875	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(-n2ccnc2S)cc1	918186878	WCTRYNXZIHWWOF-UHFFFAOYSA-N	413.717	4.878	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(-c4nnco4)cc3)c2C)c1	919843790	QJPHVJNCMGNERU-BKUYFWCQSA-N	423.476	4.998	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nnc(C(F)F)s2)c(C)n1-c1ccc(F)cc1	920229002	INTKMTRYIOCUHA-JYRVWZFOSA-N	417.416	4.568	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nc(C)c(C)s3)CCC2)cc1	1786445048	PHJXTDDRGVPTIS-KRWDZBQOSA-N	419.978	4.915	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CO[Si](C)(C)C)cc2)CCC1	1789647970	WPDUJLGGMVVISZ-UHFFFAOYSA-N	416.638	4.964	50	20	HJGD	
C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](Cl)CCC)[nH]n1	1814440632	XDMRUCGNOAZFMG-DOTOQJQBSA-N	408.974	4.802	50	20	HJGD	
Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)c1	1814697530	KXZQLPYDPQNWMT-GOSISDBHSA-N	416.953	4.597	50	20	HJGD	
CC1=CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)CC1	1824013313	DRHOSOMWPMMOJZ-PMACEKPBSA-N	409.014	4.618	50	20	HJGD	
CCCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](Cl)CC)CC2)cc1	1830310299	RJNLLWZECUFPDS-YADHBBJMSA-N	419.009	4.890	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc3c(s2)-c2ccccc2CC3)c1C	10742714	JTWKMPIBMKWUQD-UHFFFAOYSA-N	407.564	4.762	50	20	HJGD	
Cc1c(C(=O)NNC(=O)CSc2ccc(Cl)cc2)sc2cccc(F)c12	15711290	HAWMWVIKCRLWAX-UHFFFAOYSA-N	408.907	4.556	50	20	HJGD	
Cc1cccc(-c2nnc(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)o2)c1	136128955	DYDQFZVLMSBVED-RGEXLXHISA-N	406.492	4.659	50	20	HJGD	
CCOc1ccccc1[C@@H](CC)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	725870134	AELDZNJICFNZRJ-QGZVFWFLSA-N	415.559	4.511	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)CC(C)C)cc(Br)c1OC(F)F	726117782	DJOSBQCOITYNBN-WUXMJOGZSA-N	402.235	4.971	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCO[C@@H](c3ccccc3F)C2)c1C	727393397	AAPYWIOFNYLTFH-POEBIKTISA-N	409.505	4.551	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccccc1	732452086	ZBHQPVCJEZNVPO-YADHBBJMSA-N	421.928	4.954	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cs1)C1CC1	734304605	PSOUFLSHJLQOJE-YRNVUSSQSA-N	406.294	4.755	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c1C	734401346	DPNIEPSAWCITIH-XFWMGPDPSA-N	417.962	4.593	50	20	HJGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	735757940	GTCDAUMTEAFZOV-BRPSZJMVSA-N	405.289	4.500	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1ncccc1C(F)(F)F	740091615	NRAFDFLMFRXCDN-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
CSc1cccc([C@H](NC(=O)NNC(=O)OC(C)(C)C)c2cc(F)ccc2F)c1	745904014	OXFWYSNMQSKUIJ-KRWDZBQOSA-N	423.485	4.515	50	20	HJGD	
C[C@@H]1CC=CC[C@@H]1COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	746463288	PBJUDUTZXOKNAO-SAZDUXMNSA-N	400.482	4.516	50	20	HJGD	
C/C(=C/C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1OC(F)F	748695678	PQRGNJHYQPBHEH-BENRWUELSA-N	416.346	4.776	50	20	HJGD	
CC[C@H](C)NC(=S)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	749759510	XUOVVUPAMAUVIP-ZDUSSCGKSA-N	407.992	4.540	50	20	HJGD	
CCn1c(S)nnc1CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752979661	DGAZDIZRWXQUQP-UHFFFAOYSA-N	403.402	4.566	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3ncco3)c2)c1C	754218828	UVJYAYGSRODHOC-VBNMEBLOSA-N	404.470	4.513	50	20	HJGD	
N#CCc1ccc(Oc2ccc(C(=O)NNc3nc(C(F)(F)F)cs3)cc2)cc1	755856418	VJQOPSLUADQFOY-UHFFFAOYSA-N	418.400	4.777	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)C1CCOCC1	755879827	NAYANGKEFNRYSZ-UHFFFAOYSA-N	400.906	4.760	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1scnc1C1CCCC1	759974578	VGLNGSDLXFOQQS-UHFFFAOYSA-N	400.729	4.974	50	20	HJGD	
Cc1cc(-c2noc([C@@H](C)NC(=O)NNc3ccccc3C(F)(F)F)n2)ccc1F	761790507	KALJNTIYQNPIIL-LLVKDONJSA-N	423.370	4.590	50	20	HJGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NC(=O)NCC(F)(F)F	762410166	KMDQXOJRGYJJFW-SSDOTTSWSA-N	415.306	4.533	50	20	HJGD	
CCNC(=O)c1cc(NC(=O)CCCC[C@H]2CCSS2)nc2ccccc12	763236887	KEGUZIJOHDIPEW-AWEZNQCLSA-N	403.573	4.637	50	20	HJGD	
CCCOc1ccc2[nH]cc(C=NNC(=O)c3ccc(F)cc3Br)c2c1	768359411	DNAKOYITNKUUPJ-UHFFFAOYSA-N	418.266	4.622	50	20	HJGD	
CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)CBr	770648699	VEFBWLTYXPMPCV-CHWSQXEVSA-N	409.290	4.775	50	20	HJGD	
N#Cc1ccccc1Sc1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1	775256591	ARONYOUXGXPMQX-UHFFFAOYSA-N	414.412	4.880	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cc1	775458598	OZJJNDQWRIGNGN-UHFFFAOYSA-N	417.416	4.773	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc3ccccc3n2)cc1NC(=O)Nc1ccccc1	777464137	FRZDOBHWBQROFH-UHFFFAOYSA-N	411.465	4.944	50	20	HJGD	
COc1cc(-c2ccccc2)ccc1C=NNC(=O)CSc1ccccc1OC	781128916	XKPBTZYSVUEBND-UHFFFAOYSA-N	406.507	4.613	50	20	HJGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	782083770	VARHSSQQQKZQGQ-LLVKDONJSA-N	418.906	4.941	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ncc(C(C)C)s2)c(C)n1C[C@@H]1CCCO1	783476656	JQKRFPYTIYXMPR-MAYQHFBPSA-N	413.543	4.514	50	20	HJGD	
COc1cc(NNC(=O)c2cccc(COc3cccc(C#N)c3)c2)ccc1Cl	790175451	IYPJNOXVDYVFHK-UHFFFAOYSA-N	407.857	4.556	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(CNC(=O)c2cccs2)cc1	791734204	JSCANJFYIAEYCU-UHFFFAOYSA-N	420.321	4.742	50	20	HJGD	
Cn1c(/C(C#N)=C/c2c(F)ccc(I)c2F)nc2ccccc21	794868815	BXRCLGGKKHUAOS-CSKARUKUSA-N	421.188	4.520	50	20	HJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(OCC(=O)O)c(Br)c2)s1	797398551	IITIQTNNRPWNTC-SDQBBNPISA-N	421.316	4.731	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(-c2ccccc2)nn1)c1csc(-c2cccs2)n1	800692171	DESJRZPSQBDYLX-UHFFFAOYSA-N	421.551	4.750	50	20	HJGD	
C/C(N)=C(\C#N)c1nc(-c2cc(Br)sc2Br)cs1	806553698	WDGKXWYVMJFXLQ-ALCCZGGFSA-N	405.140	4.610	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccccc1N1CCCCCC1	813048256	PWYGVKBLLWOQBY-UHFFFAOYSA-N	408.546	4.581	50	20	HJGD	
CC(=O)Nc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1	915286132	SBJABLAGZWTWLF-HMAPJEAMSA-N	418.541	4.792	50	20	HJGD	
Cc1nc(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cs1	916320021	CMSBNVXQJAOCRM-UHFFFAOYSA-N	421.353	4.859	50	20	HJGD	
O=C(CC(F)(F)F)NNC(=O)c1oc2ccccc2c1CSCc1ccccc1	918364203	LGFZVOUTAXPKRY-UHFFFAOYSA-N	422.428	4.580	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1Cl	1115814419	VKPBDZONDSPWNJ-UHFFFAOYSA-N	404.209	4.926	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1csc(Cc2ccc(Cl)cc2)n1	1319597867	WJKYRPXBRURMQU-UHFFFAOYSA-N	409.845	4.746	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CCN(c3cccc(F)c3)CC2)c1C	1328991437	YUMRFCXJBPZABM-QNGOZBTKSA-N	422.548	4.736	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)cc1C	1814697458	HSCCRUPHGHJRIK-GOSISDBHSA-N	416.953	4.597	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)s2)CC1	1825346590	BKIZLXYFIBYFQI-CVEARBPZSA-N	414.974	4.528	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)CC1	1826512559	LGRXDIJGWWSZSU-FCHUYYIVSA-N	419.009	4.565	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1nnc2n1CCCCC2	5069681	VCRYZGIVOAMWGI-SAPNQHFASA-N	412.522	4.983	50	20	HJGD	
CCCn1c(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)nc2ccccc21	10236927	GXXJWTHUNPTTCG-UOBPLZBXSA-N	419.529	4.618	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3nc(C)sc3c2)c1C	10415070	VJCSZUZFNSYQLX-UHPUNMKFSA-N	408.527	4.776	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2)c(C)n1C1CCCCC1	11245846	DMEIXGQBKWRARC-XSFVSMFZSA-N	405.498	4.699	50	20	HJGD	
O=C(NNC(=S)Nc1cc(Cl)cc(Cl)c1)c1cc2c(s1)CCCCC2	15155937	XCHCLNWVSSZTMU-UHFFFAOYSA-N	414.383	4.955	50	20	HJGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1	15811278	YHAKMHMSBFRLMO-UHFFFAOYSA-N	402.281	4.740	50	20	HJGD	
CC(C)CNc1nnc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)s1	23226941	RDGHIFNSIMIHGY-NRMVZKHRSA-N	417.585	4.609	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1)c1ccccc1Cl	727494630	OGGJPPRDFZWONO-WYMLVPIESA-N	403.935	4.548	50	20	HJGD	
C[C@@H](c1ccccc1Cl)N(C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727847289	WFBZZLKEJQEVIC-JTQLQIEISA-N	400.693	4.694	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cnnc4ccccc34)c3ccccc3n2)cc1	733810265	BAHPKRVWAGVXLK-UHFFFAOYSA-N	405.461	4.910	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCOC[C@H]2c2ccco2)c1C	735025855	WLNSZZQKBWLTRT-CVGPFBNFSA-N	415.493	4.503	50	20	HJGD	
Cc1ccc(Br)cc1C(=O)NNC(=S)Nc1ccccc1C(C)C	743329222	SRRJXWIFIMKTFH-UHFFFAOYSA-N	406.349	4.512	50	20	HJGD	
C[C@@H]1C[C@H]1[C@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1	743660741	QVEDBEIWZBXNOD-GTEJWGRLSA-N	415.965	4.584	50	20	HJGD	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)NNc3ccc([N+](=O)[O-])cc3)o2)cc1	747988426	YZFLILREQAUBRC-UHFFFAOYSA-N	414.421	4.982	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC([C@@H]3CCOC3)CC2)c(C)n1C1CCCCC1	752980597	SKDZKWBABGBHEC-CPOKCXMASA-N	409.574	4.792	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H]1CCO[C@]2(CCOC2)C1	752982123	WNCBLBRQIPHRJC-IUODEOHRSA-N	402.385	4.804	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3nc(C)co3)c2)c1C	758878595	SULDMQLATVXBSJ-LYUVJKPTSA-N	418.497	4.821	50	20	HJGD	
COc1ccccc1CCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762642087	QTZUSYNIXUKXRF-UHFFFAOYSA-N	424.391	4.650	50	20	HJGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1ccc(OCc2cccnc2)cc1	767034320	WHZIGMKHGLQHDC-KDOFPFPSSA-N	405.336	4.647	50	20	HJGD	
N#Cc1cccc(NNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1	775983627	OHWIQKSHLXFQAE-AWEZNQCLSA-N	402.298	4.507	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cncc(Cl)c2Cl)c1C	778076767	ALKBAOMWBPIJAF-FVTUNSQFSA-N	407.301	4.560	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(C(F)(F)F)c2)cc1	780146121	DZRJKSGEPCRISW-MLPAPPSSSA-N	407.779	4.863	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1Cl	783683871	APJVXYVTBFDICL-WUXMJOGZSA-N	406.225	4.764	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)ccc1OCCC(=O)O	784961954	MOOKCUJTRIYFDJ-UKTHLTGXSA-N	420.248	4.645	50	20	HJGD	
CC(C)c1nc2ccc(NC(=O)C(=O)NNc3cc(Cl)cc(Cl)c3)cc2s1	792437533	HAHFMPGZGSMTTH-UHFFFAOYSA-N	423.325	4.808	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cccc(NC(=O)c2ccccc2Cl)c1	792633902	VIEWBEGHTGJZPI-LGMDPLHJSA-N	402.903	4.672	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc1	792869399	CCNKSQCHUUAJFF-LEWJYISDSA-N	423.695	4.750	50	20	HJGD	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)NNc1cccc(F)c1	793709936	YKHPZVXGGHTXAK-UHFFFAOYSA-N	404.239	4.563	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C)n1C[C@H]1CCCO1	798017529	QJXGRDROGPTUPV-QXOAVENGSA-N	423.944	4.517	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nnc3ccccc3n2)c(C)n1C1CCCCC1	798517436	CVGQWLKHDVSIKS-CPNJWEJPSA-N	415.497	4.599	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(C(C)=O)ccc2OCC)c1C	799419967	CNAMYBWTJGYTRM-BKUYFWCQSA-N	408.498	4.767	50	20	HJGD	
O=C(Cc1ccccc1F)NN=Cc1sc(Sc2ccccc2)nc1Cl	814842567	BKOHIXYKRXSIFI-UHFFFAOYSA-N	405.907	4.780	50	20	HJGD	
CCOc1ccc(NNC(=O)C(=O)Nc2ccc(Sc3ccccc3)cc2C)cc1	815815100	LKKCLSPQQRWFPU-UHFFFAOYSA-N	421.522	4.627	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C1CCCCC1	817913840	MUZKHLAPHRNRMY-JXAWBTAJSA-N	421.932	4.815	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)Nc1sc2c(c1C#N)CCC2	853000355	KQEBDJGIBUVBKY-STQMWFEESA-N	424.613	4.693	50	20	HJGD	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(F)cc2F)c1	876995489	ZWNWLOUGKQFHTC-UHFFFAOYSA-N	420.419	4.583	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)NCCCCc2ccccc2)c(-c2ccccc2)n1	914466630	VRFOUTKNQLWCBW-PTGBLXJZSA-N	423.520	4.510	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2cccc(F)c2)C2CC2)c1C	914489086	YIXNAYTVIIJOKG-CTPANLQCSA-N	409.505	4.550	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1C	915863246	SLLSZRAGOWAKER-VCHYOVAHSA-N	407.436	4.522	50	20	HJGD	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1	916141823	UTKMHTHRSPCIFU-IZZDOVSWSA-N	407.253	4.565	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	918685118	FTOVLUKDPFCTGV-XWWZYGQCSA-N	420.353	4.582	50	20	HJGD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	921241474	QAQYEFJBBYAZPJ-LPYMAVHISA-N	423.557	4.734	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4[nH]ncc34)cc2)CCC1	1788439521	UYTGYASZMWVWDO-LJQANCHMSA-N	424.932	4.718	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccc2ncccc2c1	1788584050	IXODNPXYUBASSQ-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cc(F)cc(Cl)c1	1788588405	PBQHKENOYYYIPW-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
Cc1ccc(F)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824008977	JEEAQAFQWVIRCW-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1	1824618080	OEUYDVGRTWEARW-PMACEKPBSA-N	409.014	4.594	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)cc1C	1830004188	HLVMWFGXZNAGMO-OAQYLSRUSA-N	419.009	4.802	50	20	HJGD	
CCN1CCN(c2ccc(NC(=O)CCCC[C@@H]3CCSS3)c(C)c2)CC1	22699431	WYMDNMJVAQLUTQ-LJQANCHMSA-N	407.649	4.790	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccnc2)cc1Cl	44023758	WUOWWCSVBPWKLQ-WOJGMQOQSA-N	419.868	4.868	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(Cl)c1	254868959	YGKVMCQLRBXBGD-UHFFFAOYSA-N	400.869	4.957	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](OC1CCCC1)c1ccccc1	726986449	CZCOJJYARJFUJE-OAQYLSRUSA-N	411.571	4.576	50	20	HJGD	
CC1(C)Cc2cc(/C=C(\C#N)c3nc(O)c4cc(Br)ccc4n3)ccc2O1	729151550	XSNCLRZNEWXHDY-RIYZIHGNSA-N	422.282	4.876	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1C	731173624	RHWFQYPMXWSZDN-NDENLUEZSA-N	406.530	4.507	50	20	HJGD	
CC[C@@H](C(=O)NNC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1	731941550	UTZLWHATYAGQQH-OAQYLSRUSA-N	405.523	4.990	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1sc(-c2cccc(Cl)c2)nc1C)c1ccccc1	731999444	UPJGRGKZVBFJPS-KRWDZBQOSA-N	413.930	4.727	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc(C3CC3)no2)c(C)n1-c1cccc(Cl)c1	733372911	CJYFIQVVMZMLDS-MFOYZWKCSA-N	422.872	4.658	50	20	HJGD	
Cc1oc(-c2cccs2)nc1C(=O)Oc1ccc([N+](=O)[O-])cc1Br	739314530	NNRKQZFRPNWOQA-UHFFFAOYSA-N	409.217	4.601	50	20	HJGD	
O=C(CSc1ccc2c3c(cccc13)CC2)NNc1cccc(C(F)(F)F)n1	740136548	UXNISXMZHQPNSV-UHFFFAOYSA-N	403.429	4.588	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(C=NNC(=O)c3cccc4ccccc34)c2)cc1	741464836	AHONVLZEFRBHSV-UHFFFAOYSA-N	423.472	4.865	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CCc2ccccn2)c(C)n1-c1cccc(Cl)c1	742389255	JJLBCLPZZAYZNT-XSFVSMFZSA-N	418.928	4.751	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)c1	748402010	DYSQWNNLIXNGHL-UHFFFAOYSA-N	406.269	4.934	50	20	HJGD	
Cc1c(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cccc1[N+](=O)[O-]	748666389	MBRMCNZVGHPANT-UHFFFAOYSA-N	413.437	4.513	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1C	751637575	YLBDEZUYGNRDLB-YVLHZVERSA-N	422.441	4.605	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)c2ccc(Cl)cc2F)cc1	755756882	SDGIPFJEWDXJBD-IBGZPJMESA-N	422.847	4.601	50	20	HJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	756135219	DWFAXTFSNDOLRH-WYMLVPIESA-N	403.935	4.548	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1	759318985	DMCVPYBOROAJDU-UHFFFAOYSA-N	421.350	4.797	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2csc(-c3cc(Br)cs3)n2)c1	760141317	QYIYPIUBIKNCJA-UHFFFAOYSA-N	412.309	4.839	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCCO)cc2)c(C)n1C1CCCCC1	763060229	YQUMGOLUSBDHLZ-HMMYKYKNSA-N	407.514	4.527	50	20	HJGD	
Cc1cccc([C@H](NC(=O)NNc2ccccc2C(F)(F)F)c2ccccn2)c1	766263549	HCWXVYZMSVXHSB-IBGZPJMESA-N	400.404	4.825	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(Br)cc3[N+](=O)[O-])c[nH]c2c1	767713513	KFHHRVCKGAKQSQ-NTUHNPAUSA-N	410.227	4.937	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C\c3cc(O)ccc3Br)nc(O)c2c1C	769775898	IIGYMSLVBPPEPC-WZUFQYTHSA-N	402.273	4.546	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	770758814	FCVAGEYYRBGEMZ-CYBMUJFWSA-N	421.345	4.549	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1	777464491	WMSGYOIDEUIFOU-VBNMEBLOSA-N	424.426	4.735	50	20	HJGD	
CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777645937	ZKJNOBKNKUTACD-UHFFFAOYSA-N	417.377	4.898	50	20	HJGD	
C[C@H]1CCCCN1[C@H](C)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777879227	GEIZDVKHPKUFQN-QWHCGFSZSA-N	422.485	4.885	50	20	HJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1OC	780372800	BCBQXPGVUXAOHM-NVNXTCNLSA-N	405.372	4.911	50	20	HJGD	
N#CC1=CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1	780895884	ADWVQLODFXUPNR-UHFFFAOYSA-N	419.326	4.957	50	20	HJGD	
CC(CCc1n[nH]c2ccccc12)=NNC(=O)c1ccc(Br)cc1Cl	782226037	OUNSFLKXCORBQA-UHFFFAOYSA-N	419.710	4.717	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccc(O)cc23)c(C)n1C[C@@H]1CCCO1	782751198	SEHVIUARQOWTTK-AFHVAHMMSA-N	415.493	4.688	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)OCc1nnc(-c2cc3c(s2)CCCC3)o1	784733454	REMKOECHAXDCGX-CQSZACIVSA-N	413.337	4.530	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1	788329710	XNOKGZYVYCXCTK-YBEGLDIGSA-N	414.446	5.000	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3c(C)nn(-c4ccccn4)c3Cl)c[nH]c2c1	794698871	LDVVAIYBKOYAHU-XNTDXEJSSA-N	401.857	4.809	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c(OC)c1	794965229	QAJFSXNLKIMNTB-DHDCSXOGSA-N	423.266	4.804	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1cccc2c1CN(CC(F)(F)F)C2	800562821	GWFOWVMYRNNHGJ-UHFFFAOYSA-N	418.341	4.732	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Br)c1cc2ccccc2o1	811644517	ZJGIQMDTTSDBMW-UHFFFAOYSA-N	411.177	4.978	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2csc3ccccc23)c1C	915712038	JRDFTPCSWFHMQQ-JJLFXSABSA-N	407.539	4.750	50	20	HJGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1	916254895	RQYXUQOSRYTATA-UHFFFAOYSA-N	422.312	4.651	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	918100500	YZJJXRMBYOJABD-MRXNPFEDSA-N	410.301	4.822	50	20	HJGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1ccc(Br)cc1	918319831	BXOCDUZILBQEBB-UHFFFAOYSA-N	400.276	4.570	50	20	HJGD	
CCc1nc2cc(NC(=O)/C(C#N)=C/c3cc(C)n([C@@H](C)COC)c3C)ccc2o1	918639890	IWUIVRJOIIVGNJ-ZNBBLSJYSA-N	406.486	4.562	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(OCCc3ccccc3)CC2)c1C	921288807	UHTZDJFPLSDQMC-MOHJPFBDSA-N	419.569	4.672	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Oc2ccc(Cl)cn2)cc1	1318680754	RBSXSXIUOYIMCM-UHFFFAOYSA-N	417.852	4.755	50	20	HJGD	
COC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/C3CCCCC3)CCC2)cc1	1791569459	FFYNDHGCEGKQME-ZTVSIKPCSA-N	418.965	4.511	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1	1815322366	OWKLNLGRQMAISV-WBVHZDCISA-N	423.344	4.777	50	20	HJGD	
Cc1cccc(NNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)c1	195630887	VAFKNCWZGFLYCZ-UHFFFAOYSA-N	403.313	4.790	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C(=O)NC1CC1	212599968	UBEFHGFXVZLTQS-UNOMPAQXSA-N	408.461	4.530	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NNc2ccc(Br)cc2)c1C	725882030	FTJQXGAOHHYYIH-SFQUDFHCSA-N	415.335	4.718	50	20	HJGD	
CC(C)c1ccc([C@H](NC(=O)NNC(=O)c2cccc3ncccc23)C(C)C)cc1	730113179	NMDQPEMOLUEJTO-JOCHJYFZSA-N	404.514	4.700	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3ccccc3C(F)(F)F)c3c2CCCC3)cc1	730955443	MGPYHIXAMWREOP-UHFFFAOYSA-N	414.431	4.835	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2SCCC#N)c1C	730982717	VFJCOBNMBUKIKI-VJOZSWGJSA-N	422.554	4.864	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc(-c2ccccc2F)on1	733807897	OMHLSRWSDRJICN-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3cc(F)c(F)cc3F)cc2)cs1	734551598	HLMKJGJJFXCUOA-UHFFFAOYSA-N	409.458	4.918	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](N3CCCC3)CC2)c(C)n1C1CCCCC1	737691731	NTNVIFRGQGIXAK-CVMULMBHSA-N	422.617	4.994	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)/C(C#N)=C/c3cc(C#N)n(C)c3C)ccc2C)c1	742132091	DXVRUVOQDKOVHL-VXLYETTFSA-N	411.465	4.555	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(Cl)nc2)cc1	743816994	YERUZDBLEGCHTK-UHFFFAOYSA-N	417.900	4.907	50	20	HJGD	
Cc1cc(C(=O)NNc2oc(C(C)C)nc2C#N)c(C)n1-c1ccc(C(C)C)cc1	746299465	VRWLBKCADIYONC-UHFFFAOYSA-N	405.502	4.958	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1	748672285	BSMPYCMDBANFJG-HXUWFJFHSA-N	421.566	4.875	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	748751453	VOCSUEBQIYWGBT-UHFFFAOYSA-N	420.694	4.752	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc2cc(OC)ccc2nc1C	753175860	NQYXJMLTEHKABO-UHFFFAOYSA-N	414.303	4.634	50	20	HJGD	
CC(C)Sc1ccc(Cl)cc1NC(=O)NNC(=O)c1cccc2ncccc12	756418366	AUMDTHXSGLNMNB-UHFFFAOYSA-N	414.918	4.855	50	20	HJGD	
CC(C)c1ncc(/C=C(/C#N)c2nc(O)c3cc(Br)ccc3n2)s1	758419027	UHBCLBHDWAXQSC-YHYXMXQVSA-N	401.289	4.742	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c1	760147340	JYXCIMCCHGMIPW-UHFFFAOYSA-N	406.392	4.747	50	20	HJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	761391944	JIHRHXUQWVMXAF-VZUCSPMQSA-N	415.660	4.996	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1	764588857	GFYWSUJMYVAECK-UHFFFAOYSA-N	405.451	4.534	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Br	765613131	HPYSXODPXILIFE-LZYBPNLTSA-N	409.243	4.666	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(C(=O)N2CCCCCC2)cc1	771126185	UIOCBBRILTTXOL-UHFFFAOYSA-N	404.873	4.644	50	20	HJGD	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NNc2ncc(Cl)cc2Cl)cc1	775537325	QQDPUEPSRGAJKR-GFCCVEGCSA-N	422.316	4.552	50	20	HJGD	
CCCNC(=O)c1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1Cl	775551027	GLTBCTVTKOKRKY-UHFFFAOYSA-N	414.815	4.647	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H](OCC2CC2)C1	778089901	YKEIKMFSCCBIRX-ZDUSSCGKSA-N	421.453	4.924	50	20	HJGD	
O=S(=O)(N[C@@H](CO)C1CCCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	782982688	ZEZYOECCNVQYJH-AWEZNQCLSA-N	409.442	4.564	50	20	HJGD	
CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NNc1ccc(Cl)c(F)c1	785179169	UOYYGUNNQYAEKJ-UHFFFAOYSA-N	416.305	4.715	50	20	HJGD	
CC(C)(C)[C@@H](CC(=O)O)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790616559	MUPTWRWEFGQSQT-LLVKDONJSA-N	411.414	4.512	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(F)c(Br)c(Cl)c2)cc1Cl	803102691	KHLVWBVOFXEPFP-UHFFFAOYSA-N	403.038	4.524	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1	812769457	HUDBQZBAFVIBQJ-UHFFFAOYSA-N	422.550	4.849	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3ccccc3)C2)c1C	817109005	ZLJQFNVNOZEYEZ-FPSAGYTBSA-N	405.542	4.626	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2c(Cl)nc(Cl)n2-c2ccccc2)c1	920065433	PJVRNXZWXSFLJM-RAXLEYEMSA-N	413.264	4.733	50	20	HJGD	
O=C(NN=Cc1ccc(OCC(F)(F)F)cc1)c1ccc(COc2ccccc2)o1	921256420	SHDOQOWBSDLHLT-UHFFFAOYSA-N	418.371	4.564	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(COc3ccc(C)c(C)c3)o2)c1C	1326082459	JICZSWFUCBQQLY-UTYYKHSJSA-N	420.513	4.955	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3sc(C)nc3C)cc2)CCC1	1787333006	HRPIHBRGDWKMCD-KRWDZBQOSA-N	419.978	4.915	50	20	HJGD	
Cc1nc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)sc1C	1789981805	XWUPAEGWUIITCO-UHFFFAOYSA-N	419.978	4.773	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cnc3Cl)CCC2)cc1	1790486157	VHJSLZQKCKHQHE-QGZVFWFLSA-N	420.340	4.809	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C(C)C)CCC2)n[nH]1	1823063075	HBKBIEYNUOLSKX-DOTOQJQBSA-N	408.974	4.636	50	20	HJGD	
CC1(C)CCC(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)CC1	1830420686	QWOQBLSLIOXWDH-ICSRJNTNSA-N	414.993	4.747	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cl)c1C	7459894	IGJAKJXEXSONLM-IQFISFIMSA-N	413.905	4.646	50	20	HJGD	
CCCN(CCC)C(=O)c1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1	728514940	QIGRBCWYNOMVQB-UHFFFAOYSA-N	407.436	4.725	50	20	HJGD	
Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)nnn1-c1cccc2cnccc12	731162417	OUWVJPAQSLXCIV-UHFFFAOYSA-N	420.476	4.607	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccccc1	732452085	ZBHQPVCJEZNVPO-VXKWHMMOSA-N	421.928	4.954	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1ncc(-c2ccc(Br)cc2)[nH]1)C1CCCCC1	732716794	ZSHSKGSDKXBGKO-RVDMUPIBSA-N	413.319	4.537	50	20	HJGD	
O=C(NNc1cnccn1)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	734243908	JCCNRJJSADJODF-QGZVFWFLSA-N	405.310	4.760	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)c1	735330114	OUSGIDJWLBZNDN-UHFFFAOYSA-N	421.472	4.553	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(CC(=O)OCC)c2)c1C	737739935	MRPHOROUDNQQBV-RCCKNPSSSA-N	407.514	4.556	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)c1C	743786490	KUPAVXBDJSQRNP-QSSXUJFUSA-N	415.541	4.875	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ccc(Cl)nc3)cc(-c3cccs3)nc21	743817323	WDQVQVARMQUWSB-UHFFFAOYSA-N	412.906	4.546	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(Cl)c(F)c2)o1	746699951	AKUCDSNQJLKPFP-UHFFFAOYSA-N	410.836	4.990	50	20	HJGD	
Cc1c(NNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cccc1[N+](=O)[O-]	748673723	PAQGNFZWQKXCTN-HUUCEWRRSA-N	408.483	4.706	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(-c3ccccc3)on2)c1C	749009670	HQXLZMLMODOWNH-QREGZJMFSA-N	419.481	4.618	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn([C@H](C)CC)c1C1CC1	753177380	XUKHPVWMIZASFG-GFCCVEGCSA-N	405.340	4.813	50	20	HJGD	
O=C(O)c1cc(F)cc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762457175	QEBJUXLBYFUQSS-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(-c3ncco3)c2)c1C	766054013	SWQUSNYYBSVYCA-BCUAHEQISA-N	418.497	4.821	50	20	HJGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	766444077	YMAJJLNNYWGMBB-LSDHHAIUSA-N	415.361	4.910	50	20	HJGD	
Cc1c(NC(=O)[C@H](Br)C(C)(C)C)cccc1C(=O)Nc1ccccc1	767931699	RTCUNVAVTRPGKS-KRWDZBQOSA-N	403.320	4.995	50	20	HJGD	
O=C1CCc2cc(F)c(NC(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc2N1	769956610	BTZLVZVDCXJYBD-UHFFFAOYSA-N	417.655	4.819	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)n1	770024092	SXOMRROGKIBLQO-UHFFFAOYSA-N	418.432	4.722	50	20	HJGD	
COc1ccccc1-c1cccc(NC(=O)NNc2ccnc(Br)c2)c1	771146326	YTWYTSFIVPNGMP-UHFFFAOYSA-N	413.275	4.668	50	20	HJGD	
Cc1nc(C)c(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)s1	773335090	OGMBUFSZULHUIL-UHFFFAOYSA-N	415.409	4.672	50	20	HJGD	
CCC1(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCOCC1	773354792	LNPOCJUWDUUPMY-UHFFFAOYSA-N	416.412	4.606	50	20	HJGD	
CSCCCCCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773577677	IGMXXLYYFGMBMK-UHFFFAOYSA-N	406.442	4.932	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	776640452	GZHSKQRSNAUZEE-QGOAFFKASA-N	401.491	4.562	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1occc1CN1c2ccccc2C[C@H]1C	777481523	KHKSRCSEYUGZIX-QGZVFWFLSA-N	412.493	4.844	50	20	HJGD	
COCCN(CC(F)(F)F)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777914681	HDGMMYGZMWCWSC-UHFFFAOYSA-N	423.347	4.543	50	20	HJGD	
C[C@H](CC(=O)NNc1ccccc1OC(F)(F)F)C(=O)c1ccc(Cl)cc1	779210057	WDNUYLSYGYKSHK-LLVKDONJSA-N	400.784	4.591	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1	780795745	BSVHKEHAKCKHOU-UHFFFAOYSA-N	422.293	4.660	50	20	HJGD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1C1CC1	782820801	JEIIKCRHDMPRDH-KRWDZBQOSA-N	417.513	4.540	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C(=O)Nc1ccccc1SC(F)F	784878112	JGHYAFFHIJIOMK-UHFFFAOYSA-N	424.231	4.529	50	20	HJGD	
COc1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c(O)c1	785491063	KOOQPNVIQLMNDA-UHFFFAOYSA-N	405.366	4.859	50	20	HJGD	
C[C@H](O)[C@H]1C[C@H](C)CCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	785532861	CTEXZTHZQYXOLG-UHIISALHSA-N	409.442	4.514	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NC2CCCC2)c(C)n1C1CCCCC1	786425400	GHDKPIQMGBBWPT-WRDGEJPTSA-N	411.546	4.508	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cccc(Cl)c2Cl)c1C	790089326	BZKDLHJCRRXWDC-WOJGMQOQSA-N	420.340	4.624	50	20	HJGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	794872728	MCZFSDRTENMSKU-GZTJUZNOSA-N	412.415	4.951	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1-n1cncn1)C(=O)Nc1cccc(Cl)c1Cl	794930521	DJHXNFAEGYIQQA-WUXMJOGZSA-N	418.671	4.773	50	20	HJGD	
Cc1ccc(-c2ncc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)s2)c(C)c1	802018233	KJZJXBNQTVRFJE-UHFFFAOYSA-N	400.891	4.547	50	20	HJGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCO1	802072943	ULPJUDOLQRNLCI-IINYFYTJSA-N	422.740	4.641	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	805464062	AXZMOWZYKCCGBR-UHFFFAOYSA-N	421.482	4.560	50	20	HJGD	
Cc1cnn([C@H]2CCN(C(=O)Nc3ccccc3S[C@@H](Cl)C(F)(F)F)C2)c1	810154188	LBFNUJCYJOHFRR-SWLSCSKDSA-N	418.872	4.890	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cn1	812242052	MDZXTUWNAFSRDL-MHWRWJLKSA-N	404.813	4.960	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(O)c3ccccc3n2)c(C)n1CC(C)C	849205562	KAVRXNHAMMKUCI-BEWREHSGSA-N	418.497	4.621	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)c3cccc(OC)c3)o2)cc1	915861835	BWCNVEHTQUUXDL-XMHGGMMESA-N	401.418	4.922	50	20	HJGD	
CC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1nc(C)sc1C	916357916	ROFKLSOOQJZLKH-UHFFFAOYSA-N	404.948	4.878	50	20	HJGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(C)s1	916479536	AFFDJLSUEMOZDD-MRXNPFEDSA-N	423.538	4.502	50	20	HJGD	
O=C(NNc1ccccc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	916571736	OBJJLOMIJIYBRN-IUCAKERBSA-N	403.754	4.876	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCC(C)(C)c2ccccc2)c1C	919935884	QXYAKWUDBMEEDP-UQRWVXEISA-N	407.558	4.703	50	20	HJGD	
Cc1ccc(NNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1	920805917	VLTGJYHXSOHWMP-UHFFFAOYSA-N	400.457	4.673	50	20	HJGD	
Cc1cnn(CC2CC2)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	1115934904	RZRQHNWVLOUUBW-RGVLZGJSSA-N	417.488	4.694	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@H]2OCCC[C@H]2C1	1190012076	YPSNIMHMZBSPRN-FZMZJTMJSA-N	407.426	4.534	50	20	HJGD	
CCOC(=O)C[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	1343110898	VHBSUXMMFDLTPI-NHYWBVRUSA-N	424.872	4.855	50	20	HJGD	
C[Si](C)(C)OCC(=O)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1	1787628923	ZAYDYSBATQDHJX-UHFFFAOYSA-N	402.611	4.552	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(OC)c3)cc2)CCC1	1790603183	DNRPNNCHFHDENW-HXUWFJFHSA-N	414.933	4.769	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)n3cccc3)cc2)CCC1	1791783922	BEHBDTAIOXRDHJ-QFBILLFUSA-N	401.938	4.591	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(C)cc3s1)C2	1793684264	UHNLLYCNAIWJSX-XMTFNYHQSA-N	418.990	4.869	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)cc2C)[nH]n1	1815320973	LIVTYCFFMCVTKN-MJGOQNOKSA-N	416.953	4.740	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1824611643	NIJALHKUFFFQBK-SFTDATJTSA-N	411.030	4.984	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1	1830314391	XVWJCVGKGFGWJZ-WOJBJXKFSA-N	416.949	4.684	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2cccnc2)Cc2ccco2)c1C	115563224	LVYYXHUICZZTMJ-XKZIYDEJSA-N	402.498	4.639	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(SCCOC)cc2)cc1	728879783	UZOCKALCFFWWEK-SWEXZPIWSA-N	410.539	4.608	50	20	HJGD	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNc2ccccc2)c(OC)c1	732265976	UZVBBJDDXDYKNZ-UHFFFAOYSA-N	415.493	4.928	50	20	HJGD	
CN(CCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)CC(F)(F)F	732697021	UJVJVXLPBAVKFS-NSHDSACASA-N	423.810	4.522	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(c2ccccc2)C2CCN(C)CC2)c1C	732732616	DOTOGUDPBPYDTD-XLNRJJMWSA-N	404.558	4.549	50	20	HJGD	
CCOc1nnc(COC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)s1	733412974	YVZSQYMCTDJTCC-GZTJUZNOSA-N	414.531	4.511	50	20	HJGD	
CCCc1cc(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)sc1C	734259995	ZXZFSZQPKVOBQK-UHFFFAOYSA-N	421.448	4.637	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1ccccc1Oc1ccc(Cl)cc1Cl	735687063	OBZBIYBSCWVQRC-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNC(=S)Nc1cccc(Cl)c1	738555653	FLZBUFPIJBZRIH-NSHDSACASA-N	415.868	4.555	50	20	HJGD	
Cc1cnc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)s1	742122357	ULUQGRFRYCZZCT-IUXPMGMMSA-N	410.930	4.736	50	20	HJGD	
CSc1cccc([C@H](NC(=O)NNC(=O)CC(C)(C)C)c2cc(F)ccc2F)c1	745903689	LVTPKQMZMDFFFB-IBGZPJMESA-N	421.513	4.543	50	20	HJGD	
O=C(NNc1ccccc1F)c1cccnc1Oc1ccc(Br)cc1	748055858	TVULOHWSSVHTLZ-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1c(F)cccc1F)c1ccc(Cl)cc1	748171689	YFZXRSSVTAZYBR-UHFFFAOYSA-N	401.800	4.627	50	20	HJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2cc(F)c(F)cc2F)cs1	748797217	QNPYERSLQNVJNX-UHFFFAOYSA-N	409.458	4.918	50	20	HJGD	
CCc1ccc(C(=O)Nc2sccc2C(=O)NNc2cc(F)c(F)c(F)c2)cc1	748812332	NCEXYMGDJCPKMV-UHFFFAOYSA-N	419.428	4.737	50	20	HJGD	
CC(C)(C(=O)NNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1	755583580	OJQNCBDPRKTESP-UHFFFAOYSA-N	414.465	4.625	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)Nc1ccc(COCc2ccccc2)cc1	756734404	WMXRHHANWDMPLS-UHFFFAOYSA-N	415.449	4.616	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H](C2OCCO2)C1	762978643	BHSHHXMDKZZAHQ-LLVKDONJSA-N	402.385	4.961	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccc(-n2ccc(C(F)(F)F)n2)c1	763611964	BANADHAUVDSWIR-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	772850217	YYENAYMSLCJARB-IBGZPJMESA-N	414.481	4.855	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccccc1COCc1ccccc1	775512555	LWHYRGCVRMXKNK-UHFFFAOYSA-N	416.403	4.966	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c(C)n1C[C@@H]1CCCO1	775557980	FACDYHCMTJEGAA-CVGPFBNFSA-N	414.509	4.825	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H](n2ccnc2)C1	777929234	IQQAUAAKEPXQJX-LBPRGKRZSA-N	417.425	4.566	50	20	HJGD	
Cc1cccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1NC(=O)c1ccncc1	781041464	MSWFGSNEFLJFDD-UHFFFAOYSA-N	402.498	4.697	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	781092328	UPGJJLGCLXBDBS-AVRWGWEMSA-N	422.388	4.884	50	20	HJGD	
O=P(CCN(Cc1cccnc1)Cc1ccco1)(c1ccccc1)c1ccccc1	781340761	XYLFHWPQFSMAKF-UHFFFAOYSA-N	416.461	4.691	50	20	HJGD	
CC(C)c1ccc(N2Cc3ccc(NC(=O)NNc4ncncc4Cl)cc3C2)cc1	782064641	JUYXCIZHOGLLKW-UHFFFAOYSA-N	422.920	4.922	50	20	HJGD	
Cc1cccc(NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1	782792819	NCEMIYBQEQQCRR-INIZCTEOSA-N	402.825	4.792	50	20	HJGD	
CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1C	782982036	UKJDGXHFSXYUJV-CHWSQXEVSA-N	422.485	4.837	50	20	HJGD	
C[C@@H](Cc1cccc(O)c1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982514	XHBVMQODIMYEST-NSHDSACASA-N	417.421	4.959	50	20	HJGD	
CCOC[C@H]1CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782983487	RFKSCBDHBIAIKW-LBPRGKRZSA-N	409.442	4.781	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1	787113474	VPHKHEHZGPOPNH-KEWOFRHOSA-N	411.299	4.719	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	788146804	BWAVJGLGZDEMEQ-UHFFFAOYSA-N	406.826	4.576	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(F)c(C(F)(F)F)cc3F)c(C)cc2c1	804540418	WZRPSIPUCWBTJE-UHFFFAOYSA-N	411.330	4.606	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(=O)c2ccccc2o1	817015897	WDHQJOGNOSZHBJ-UHFFFAOYSA-N	416.277	4.588	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1cnn(-c2ccccc2)c1C	818260872	PIOZDHWEOWZCQU-UHFFFAOYSA-N	414.465	4.507	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1sc(Oc2ccccc2)nc1Cl	915951169	HUPMFUKMAPZRKQ-UHFFFAOYSA-N	406.294	4.935	50	20	HJGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1sc(Oc2ccccc2)nc1Cl	915955319	YOFGBUSLQZGBEX-HNNXBMFYSA-N	420.966	4.551	50	20	HJGD	
N#C/C(=C\c1ccc(OCCN2CCCC2)cc1)C(=O)c1c[nH]c2cc(F)ccc12	915991114	VDXDZNWUKQOCFW-QGOAFFKASA-N	403.457	4.571	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(SCc2ccccc2)cc1	916736722	OBQGXAKXRQCTCV-UHFFFAOYSA-N	401.491	4.535	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1OCc1ccccc1	919657517	XLWJPMDZIYVROT-MRXNPFEDSA-N	423.900	4.624	50	20	HJGD	
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NNc1cc(C(F)(F)F)ccc1F	1116372223	GEYAFFFHSIZIPT-UHFFFAOYSA-N	412.774	4.655	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)c2nnc(Cc3cccc4ccccc34)o2)c1C	1117209594	GBVBRRGAKZQCEQ-HYARGMPZSA-N	412.493	4.943	50	20	HJGD	
C[Si](C)(C)OCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC2)cc1	1789650533	SSCWFXQYOPXGRG-IYARVYRRSA-N	416.638	4.798	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)s2)CC1	1824611939	RGVOCGGVXHIKCA-MSOLQXFVSA-N	411.011	4.697	50	20	HJGD	
O=C(C(Cl)Cl)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1	1832555715	FGHSKDYRLCBDQQ-LJQANCHMSA-N	423.384	4.601	50	20	HJGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	7714042	FPDDQRLDSIUYLP-HYARGMPZSA-N	419.502	4.754	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(C)C)c(C)c2)c1C	303950112	SXFSIVZKIZTJDC-UMUMUWHJSA-N	409.530	4.954	50	20	HJGD	
CCC[C@H](NC(=O)NNC(=O)CCCc1ccccc1)c1cccc(C(F)(F)F)c1	727845195	HHZRJDBWUGXWQG-IBGZPJMESA-N	421.463	4.900	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc([C@H]4C[C@@H]4C)o3)cc2)n1	732761367	FIAXQGGEDBQNKX-XOBRGWDASA-N	420.538	4.866	50	20	HJGD	
O=C(Cc1cccc(OCc2ccccc2Cl)c1)NNc1ccc(F)cc1F	733361939	KAPJBAFFIXIFCO-UHFFFAOYSA-N	402.828	4.883	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc(OCC#N)cc2)c(C)n1CCC(C)C	733414470	HBSXYTMDRQAKRH-HMAPJEAMSA-N	405.498	4.704	50	20	HJGD	
O=C(NNc1c(F)cccc1F)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	735759827	FQOLBRWNCBFRRT-INIZCTEOSA-N	418.444	4.931	50	20	HJGD	
C[C@](CO)(NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccccc1	735863841	LNTPFGRWZDDHKX-NVXWUHKLSA-N	418.868	4.935	50	20	HJGD	
O=C(/C=C/c1nc2ccccc2s1)Oc1ccc([N+](=O)[O-])cc1Br	739317784	RZDSMAGYTJMLPK-BQYQJAHWSA-N	405.229	4.586	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c3ccncc3)c2C)cc1	743723604	WZPUEOARKRXDGM-OSVNEOKWSA-N	414.509	4.624	50	20	HJGD	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NNC(=O)c1ccc2ccccc2c1	746211130	HGALPINJZIEPAL-UHFFFAOYSA-N	415.415	4.735	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2oc(C(C)C)nc2C#N)c(C)c1	746335433	MSOXINNECUOQRI-UHFFFAOYSA-N	407.499	4.590	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(OC)c1O	747034517	VFQGWYWHZBKQBX-NTEUORMPSA-N	403.265	4.982	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	748217712	QQIMCPOVGOJUFS-RYUDHWBXSA-N	403.429	4.907	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl	748750855	OCKFMAAKMBMHNU-UHFFFAOYSA-N	424.726	4.762	50	20	HJGD	
Cc1cc(N(C)C)cc(C)c1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	752854938	CCOWGTFAVMFXQO-FJWZAKCXSA-N	420.557	4.512	50	20	HJGD	
CC(=O)N1CC[C@H](CN(C)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752986818	MPQNZLYGCJIUEO-GFCCVEGCSA-N	401.401	4.676	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(CCC(F)(F)F)c2)c1C	753699680	RABJWEZXPKSBQC-UYRXBGFRSA-N	419.447	4.792	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cncc(-c2ccc3c(c2)CCO3)c1	754153261	FSDOEWNGYBFWNJ-UHFFFAOYSA-N	417.362	4.598	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc1NC(=O)OC(C)(C)C	754473800	OSPWGZOMYFDFKL-UHFFFAOYSA-N	419.485	4.556	50	20	HJGD	
CC(C)CSCCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762671130	XZUXCRSKUMPQAR-UHFFFAOYSA-N	406.442	4.788	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cccc(NC(=O)c2cccnc2)c1	768011544	BTUSWJLUDYRQKO-UHFFFAOYSA-N	419.243	4.537	50	20	HJGD	
N#C/C(=C\c1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccc2ccccc2n1	768496285	SJKCFMBSNFFTGW-HMMYKYKNSA-N	419.912	4.663	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)c1	768700634	GKFFDTQGPWYQEL-IBGZPJMESA-N	412.877	4.722	50	20	HJGD	
Cc1cccc(-c2cncc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1	768929617	NJKLZVYRKHNKOR-UHFFFAOYSA-N	416.359	4.741	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1	771700025	BOLYOBFGIGPUBQ-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CC[C@H](CN2CCCC2)C1	775293946	RESNXIOFDARRQU-CZUORRHYSA-N	421.916	4.856	50	20	HJGD	
O=P(CCN[C@@H](C[C@@H]1CCOC1)c1ccccc1)(c1ccccc1)c1ccccc1	775534582	BYIIOOLETBJMFK-NVQXNPDNSA-N	419.505	4.758	50	20	HJGD	
CCOc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)c(C(F)(F)F)c1	775562350	HFIUFTGQRVSGBH-UHFFFAOYSA-N	408.302	4.667	50	20	HJGD	
Cc1ccc(F)cc1C(=O)C(=O)NNc1c(Cl)cc(Br)cc1Cl	781683800	AUZCXAVNGFPFHD-UHFFFAOYSA-N	420.065	4.529	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1	782448902	XJXKQEXDHWVTGB-WPBJZHHJSA-N	409.829	4.610	50	20	HJGD	
NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	782911290	VJSYRISXFVAZQG-UHFFFAOYSA-N	417.381	4.635	50	20	HJGD	
O=S(=O)(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(S(F)(F)(F)(F)F)cc1	782983090	INHJQCXHFBNOOF-MCIONIFRSA-N	407.426	4.580	50	20	HJGD	
CC(C)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO1	782987961	QIQFAVIOOZIBPJ-SMDDNHRTSA-N	409.442	4.826	50	20	HJGD	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)NNc1ccccc1Cl	784779553	IWQCJMRFDYZNNP-INIZCTEOSA-N	423.900	4.870	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1	789847415	ZFOASPYTBKIDSQ-UHFFFAOYSA-N	404.344	4.509	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cn(-c2cc(C)cc(F)c2)nn1	790717929	UGWZYTAESZCDNP-UHFFFAOYSA-N	409.490	4.665	50	20	HJGD	
C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792883881	ZDLAFMJNZYEEBE-HXUWFJFHSA-N	418.698	4.894	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2c(-c3ccc(Cl)c(Cl)c3)noc2C)c1	797976230	YNPHZPKKMGAHRH-UHFFFAOYSA-N	420.252	4.500	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1ccc(Cl)s1	801505440	SPXSGPBKYXVWQN-UHFFFAOYSA-N	410.518	4.683	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1[nH]ccc1-c1c(Cl)cccc1Cl	805459818	PUPMYDTXAFFTME-UHFFFAOYSA-N	402.285	4.803	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	806500443	BZOLQQIRYCGTQC-UHFFFAOYSA-N	417.338	4.513	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)c(C)c1OC	806573705	QFOJDVGEPNJOIP-MDWZMJQESA-N	403.232	4.747	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N	813047384	UTXWGBBMTYBZIG-INIZCTEOSA-N	410.543	4.595	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c(C)n1C[C@@H]1CCCO1	903141535	OXSVZQANDDRFDI-BHEJFATLSA-N	412.559	4.584	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cc2ccccc2c2cccnc12	917197914	UHWBEHVGIONLSG-UHFFFAOYSA-N	405.457	4.545	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCO2)C(=O)c1cc2ccccc2o1	917519686	RKFAQNKZFUMGHT-AUWJEWJLSA-N	410.223	4.756	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)c1c[nH]c2cc(F)ccc12	917620929	BDYXXZBTDSZQEW-MHWRWJLKSA-N	418.428	4.995	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccnn2[C@H](C)CC(C)C)c(C)n1C[C@@H]1CCCO1	917667641	CYIJLLAGDPNTGP-SBNOBIEDSA-N	423.561	4.633	50	20	HJGD	
C[C@@H](c1ccccc1Cl)N(C)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	918002899	ZDJPQFHPQUCJMP-OLZOCXBDSA-N	405.951	4.574	50	20	HJGD	
COC(=O)c1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)oc1C	1317824225	BTZYMLVTIOIYEU-YBFXNURJSA-N	423.513	4.522	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1	1341867858	GJXMIZOFHDPLID-UHFFFAOYSA-N	400.360	4.680	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C=O)s3)cc2)CCC1	1788150164	TXFTUGNZDISOHY-KRWDZBQOSA-N	418.946	4.716	50	20	HJGD	
Cc1ccc(SCC(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)cc1	1789108223	ZXMMHUPNZMGGFG-IBGZPJMESA-N	420.937	4.756	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(F)(F)c3ccco3)cc2)CCC1	1791077197	VVWBNJBSGZEPIG-INIZCTEOSA-N	424.875	4.913	50	20	HJGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl)c1cocn1	1800011819	IVNIEKVODMUYMV-REPLKXPHSA-N	423.985	4.676	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1nccs1	5070338	ZOUVTISZHWWCJM-SDNWHVSQSA-N	403.492	4.603	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(C)nn(Cc3ccccc3)c2Cl)cc1	8321059	YWOBULQSRQJRGU-XDHOZWIPSA-N	411.914	4.540	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2CC)c1C	24013171	OZPSBEQXZLPVJS-QTCOBDOFSA-N	421.541	4.945	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NN(C)c3ccccc3)c2)cc1	727483403	PLILMXOVRZLZHF-UHFFFAOYSA-N	402.494	4.568	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(\C#N)C(=O)c3ccc(F)cc3)cc2)oc1C(=O)O	729936940	JLBPGYDYABWGLL-GZTJUZNOSA-N	405.381	4.794	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCCc3nccs3)c2C)c1	733255986	GDJAFRMVIOFESH-XSFVSMFZSA-N	404.539	4.515	50	20	HJGD	
CO[C@H](CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(F)(F)F	733618932	OVFUOUFUHKIZCI-ZJUUUORDSA-N	410.767	4.605	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1nccc2sccc12	734248521	VVRWLKMWRZGRNJ-UHFFFAOYSA-N	402.838	4.809	50	20	HJGD	
CCC[C@@H](C(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1	734257989	AMIPVXLFTBZDRE-OAHLLOKOSA-N	415.419	4.584	50	20	HJGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	734745193	IJHJJWYYOJTEPW-CYBMUJFWSA-N	406.983	4.612	50	20	HJGD	
O=C(NN=Cc1occc1Br)c1cc(-c2ccco2)nc2ccccc12	735228196	SSQPIQWZDGZIRK-UHFFFAOYSA-N	410.227	4.614	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@@H]1CCC[C@H](C(F)(F)F)C1	741976977	AECXPLFHJOPBQR-SFYZADRCSA-N	401.173	4.539	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1cc(F)cc2nc[nH]c12	742133391	XBYJENUHNSGOGV-UHFFFAOYSA-N	418.053	4.528	50	20	HJGD	
CCc1cc(NNC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)nc(-c2ccccn2)n1	743375081	LVWLQIKVFLJRPK-KRWDZBQOSA-N	418.545	4.623	50	20	HJGD	
C[C@@H](CNC(=O)NNc1ncc(C(F)(F)F)cc1Cl)Sc1ccccc1	743691423	JZZOLPSJFOFLRN-JTQLQIEISA-N	404.845	4.561	50	20	HJGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(CSc3ccccc3)cc2)cc1	743828137	ZZFOUJMKFOMZEP-UHFFFAOYSA-N	420.538	4.511	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccon2)c(C)n1-c1cccc(Cl)c1Cl	747336258	PFSZHYUGJSDWTI-OQLLNIDSSA-N	415.280	4.612	50	20	HJGD	
Cc1cccc(-n2ncc(C(=O)NNc3cccc4c3CCCC4)c2C(F)(F)F)c1	748581196	ZPNHKQWMVUFIIY-UHFFFAOYSA-N	414.431	4.835	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3c(C)noc3C)c2C)cc1	748636880	QXADSERNBRTZCU-UNOMPAQXSA-N	404.470	4.643	50	20	HJGD	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NNc3cccc4cnccc34)c12	748769578	MOGFKSRGIQLCAB-UHFFFAOYSA-N	413.437	4.911	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2-c2nncn2C(C)C)c1C	753272380	OAUVGZKVMSYQAV-DEDYPNTBSA-N	416.529	4.900	50	20	HJGD	
O=C(NCCc1ccsc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762633060	CLGMBMJSAZWDPH-UHFFFAOYSA-N	400.394	4.703	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)c1C	766554420	KZBMZAINIYNAPG-VQIMIIECSA-N	405.608	4.777	50	20	HJGD	
C[C@H](OC(=O)[C@H](Br)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1Cl	766748875	BCKZGRUWQZUKFU-UFBFGSQYSA-N	411.123	4.673	50	20	HJGD	
N#CCCCn1cc(C(=O)NNc2ccc(F)cc2Br)c2ccccc21	768093671	NWYUODOLOIAEQW-UHFFFAOYSA-N	415.266	4.604	50	20	HJGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)C(=O)Nc1nc2ccccc2nc1Cl	768466386	FKSOGSAQJHBTMT-PDGQHHTCSA-N	411.852	4.891	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3c(F)cccc3Cl)s2)cc1OC	770198040	OCANZVPHQSAOGJ-UHFFFAOYSA-N	421.881	4.685	50	20	HJGD	
Cc1ocnc1CNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc3ccccc23)c1C	770888535	ZFVIUFLVRNFUTF-MTJSOVHGSA-N	410.477	4.767	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@@H]1CCOC2(CCC2)C1	773417489	KYEUFQXPOMDKKP-GFCCVEGCSA-N	414.396	4.500	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1cc(-c2ccc(F)cc2)nc2ccccc12	774774903	CIJBXJFNIAWSCU-UHFFFAOYSA-N	409.424	4.741	50	20	HJGD	
N#CCc1ccc(OCc2cccc(NC(=O)NNc3c(F)cccc3F)c2)cc1	775519703	QNABRCOLHVAIBA-UHFFFAOYSA-N	408.408	4.758	50	20	HJGD	
O=S(=O)(NCc1ccc2c(c1)CCO2)c1cccc(S(F)(F)(F)(F)F)c1	777926060	AJWDHLISTQBRCX-UHFFFAOYSA-N	415.405	4.757	50	20	HJGD	
Cc1nc(C(=O)NNc2ccc(Br)cc2F)c(-c2ccccc2)s1	778935946	JFMPBBLTDJHMPK-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
O=C(NNc1ncncc1Cl)Nc1ccc(F)cc1-c1nc2ccccc2s1	782034813	LOFQEYSLBZFBCG-UHFFFAOYSA-N	414.853	4.694	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)O[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)cc(C#N)n1C	782626755	GPRJYQCJSWWXFI-RHUPODBASA-N	420.856	4.725	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(Oc3cccnc3)c(C)c2)cc1	787156434	ZJJNPPRHKCRYKB-MKYLKIGJSA-N	413.477	4.975	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)cc1	787682047	UENRTLAEJIMULQ-HMMYKYKNSA-N	417.509	4.566	50	20	HJGD	
COc1cc(NNC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)ccc1Cl	790181003	QSVBAGFZSMWSEJ-SKLAPFLYSA-N	413.743	4.526	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(NC(=O)c2ccccc2)cn1	794207880	XPBWTZAUYQGFLD-KRWDZBQOSA-N	401.557	4.987	50	20	HJGD	
CC(=NNC(=O)Cc1nc(O)c2c(C)c(C)sc2n1)[C@H](C)c1ccc(Cl)cc1	794477084	YULGPXVQXIFNFZ-JTQLQIEISA-N	416.934	4.505	50	20	HJGD	
CC(C)c1occc1C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	794914982	FLSCWVAZBSXCLV-UHFFFAOYSA-N	405.829	4.707	50	20	HJGD	
CCOc1ccc(C(=O)NN=C(C)CCc2ccc(C(F)(F)F)cc2)cc1OC	800808162	MZOPKQBWTOBSNB-UHFFFAOYSA-N	408.420	4.851	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(F)F)cc2F)c1C	801073955	HXDQXLLBTCTILD-MJOIQJIUSA-N	421.419	4.599	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2cccc(Cl)c2Cl)cc1	801816338	OHTYDAQWDKTGFI-UVTDQMKNSA-N	404.249	4.725	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1nccnc1C1CCC1	805475959	ZLKIBACHLQJNJG-UHFFFAOYSA-N	404.470	4.692	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1OC	812248169	FZVUECRMYRMTSB-WZUFQYTHSA-N	413.193	4.944	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCCC[C@@H]2c2ncon2)c(C)n1CCC(C)C	813517033	DGAFFGRBOVMPKN-NNVROAHOSA-N	409.534	4.585	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NCc1ccc(OCCCCl)cc1	814172702	ZWXXGWXHGMFWCX-IBGZPJMESA-N	408.970	4.574	50	20	HJGD	
CSC(C)(C)CC=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	814702358	QWTSRQSZHUIUGG-UHFFFAOYSA-N	402.589	4.633	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2cc(C(F)(F)F)ccn2)c1	857514144	SYORKIYJQBCWEQ-UHFFFAOYSA-N	401.388	4.923	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2ncnc(Cl)c2C(C)C)cc1	857546587	WNYDPHBGRMVNHR-UHFFFAOYSA-N	415.950	4.680	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1	898975726	LSPRLXRREYUGEZ-QYAIIROKSA-N	423.944	4.599	50	20	HJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNC(=O)c3cccc(Cl)c3)cs2)cc1	904192472	MYBWYFJFRTZWKV-UHFFFAOYSA-N	413.930	4.591	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)NC1CCN(C2CC2)CC1	915340807	CBKZFFTVHDWTGW-OAHLLOKOSA-N	407.889	4.654	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl	915845783	YNBPEXUHFIQRMU-VBKFSLOCSA-N	410.861	4.784	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(NC(=O)C3CC3)cc2)c1C	917051174	BUMYWZLBDBAYNR-ZHZULCJRSA-N	405.498	4.766	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(-n3cncn3)cc2)c(C)n1C1CCCCC1	1317786960	IZAFLLITPNXJQP-DEDYPNTBSA-N	414.513	4.737	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)cc2)cc1	1317945011	YQGGLVPDBBSPEC-LTGZKZEYSA-N	411.509	4.635	50	20	HJGD	
CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Br)CCC3)cc2)CC1	1789115169	VVTQTFUFBUUVJU-HOTGVXAUSA-N	419.363	4.650	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cscc2C)CC1	1824613167	HHVYGGWSPKTPJK-MOPGFXCFSA-N	411.011	4.697	50	20	HJGD	
Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1832548297	VJAFYANYYYDNMB-LJQANCHMSA-N	422.972	4.632	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845125046	ITXYFPZSUUQJMV-GOSISDBHSA-N	419.437	4.957	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nc(C)cs3)cc2OC)cc1	20621059	YQVKXMIUAJWXNP-VXLYETTFSA-N	420.490	4.890	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC)c(OCCCC#N)c2)c1C	64551394	DRVAZAHYLQOJFC-ZHZULCJRSA-N	403.482	4.772	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OCc1ccccc1	212119943	KARQENJYRLAJRV-ZHZULCJRSA-N	400.482	4.656	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2OC(F)F)cc1	213093246	BAJKBJXMLRDHMW-ZROIWOOFSA-N	408.351	4.997	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cnc3ccccc3n2)c(C)n1CCC(C)C	726342799	ANEDOKRWSYXBPV-UDWIEESQSA-N	402.498	4.745	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)c1ccccc1	732235804	KGLNZJZXVCYEKL-YPMHNXCESA-N	412.292	4.718	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2cnn(C(C)C)c2)c(C)n1-c1ccc(F)cc1	732749145	PVZXQUQHWRGFIR-MLHZQLSASA-N	419.504	4.795	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNc3nccc4sccc34)cc12	734249285	QWELWXBQDJZWDS-UHFFFAOYSA-N	423.498	4.901	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@H](C)c2c(Cl)cccc2Cl)c1C	734256964	WEQWATIQILDWJP-GFCCVEGCSA-N	416.312	4.709	50	20	HJGD	
COc1cccc(C[C@@]2(C(=O)NNc3ncccc3C(F)(F)F)C[C@H]3CC[C@H]2C3)c1	740086661	DADBNDNQPWRMJO-CKJXQJPGSA-N	419.447	4.601	50	20	HJGD	
CC(C)(C)c1cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)no1	742071730	PNZGKAGEJBOOFR-UHFFFAOYSA-N	406.202	4.510	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1ccc2cc(Br)ccc2c1	746294658	XVXHBDXXENJSIP-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3cc(F)c(F)c(F)c3)cc12	746703843	IOMBGDNODMUDTO-UHFFFAOYSA-N	402.401	4.570	50	20	HJGD	
O=C(/C=C\c1ccccc1OC(F)(F)F)NNc1ccccc1Br	748059869	GAALRFZIXFNNON-KTKRTIGZSA-N	401.182	4.504	50	20	HJGD	
Cc1ccccc1C(C)(C)CNC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	750774421	HJRJIQLYQYOWFL-DZSAKIAFSA-N	419.569	4.593	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1Cl	753317901	ZUYNCXYJGFPKOS-UHFFFAOYSA-N	405.889	4.558	50	20	HJGD	
N#C/C(=C/c1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)Nc1ccccc1Cl	754683457	BIFUGYYGVJSFCY-FLIBITNWSA-N	418.671	4.773	50	20	HJGD	
N#C/C(=C/c1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)c1c[nH]c2ccccc12	754685905	QIQHYDWECGJYDV-WQLSENKSSA-N	408.248	4.845	50	20	HJGD	
COc1ccc(CCC(C)=NNC(=O)c2sc(-c3ccccc3)nc2C)cc1O	754913454	GTAUYQGWJQFJMZ-UHFFFAOYSA-N	409.511	4.571	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1cccc(Sc2ccccc2)c1	756477015	VVSXJKXDUYRGKE-UHFFFAOYSA-N	414.490	4.853	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cccc(-c2c(F)cccc2F)c1	757900390	MMYMZMVCUTZWPQ-UHFFFAOYSA-N	402.404	4.846	50	20	HJGD	
Cc1cc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)ccc1Cl	759203328	ZAYFBVMZLJMYRZ-UHFFFAOYSA-N	422.259	4.952	50	20	HJGD	
Cc1c(I)cccc1C(=O)NNc1cc(Cl)ccc1Cl	761573139	SZFAJRLPGHAQIL-UHFFFAOYSA-N	421.065	4.663	50	20	HJGD	
CC(C)[C@@H](CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCOCC1	762978756	QHRNWEXUOXSRIZ-OAHLLOKOSA-N	417.444	4.822	50	20	HJGD	
Cc1nc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)sc1C	773352449	SORRBXQXFGVEMT-UHFFFAOYSA-N	415.409	4.672	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(-c2nnc3n2CCCCCC3)cc1	775470598	TXEQSRQRJZSSJZ-UHFFFAOYSA-N	410.909	4.864	50	20	HJGD	
CC(C)[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO1	778055322	PTXAUSUWCYZWHH-FZMZJTMJSA-N	409.442	4.826	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3csc(-c4ccccc4F)n3)c(C)cc2c1	778476512	JNHAVZXJMDFBND-UHFFFAOYSA-N	408.458	4.571	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)nc(O)n1	782415105	UJGYLNYNVANPEM-DEDYPNTBSA-N	423.476	4.597	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)cc1	782451333	PRCJCFPWJZHASA-CBIIRDDDSA-N	420.509	4.816	50	20	HJGD	
COc1ccc(CCN(Cc2ccccc2)C(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	787298068	DWJPSSGGVQEJFF-QJOMJCCJSA-N	412.489	4.579	50	20	HJGD	
Cc1cc(CN2CCN(Cc3ccc(CO[Si](C)(C)C(C)(C)C)cc3)CC2)no1	788010260	UCBCRNREAKWXLD-UHFFFAOYSA-N	415.654	4.823	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC(CN3CCOCC3)CC2)cc1	788013010	ZUEVLVGAYRWYDO-UHFFFAOYSA-N	418.698	4.753	50	20	HJGD	
C[C@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	788912988	MUSLSMGHUJSSOA-QWHCGFSZSA-N	422.485	4.743	50	20	HJGD	
O=C(Nc1nc2c(s1)CCCCCC2)C(=O)NN(c1ccccc1)c1ccccc1	789746265	JQLPAYKPSCGZPS-UHFFFAOYSA-N	420.538	4.610	50	20	HJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	794931098	JKQGNLHSQZOWNJ-NSIKDUERSA-N	410.278	4.647	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC=C(c3ccccc3)C2)c1C	803682657	ZUCRJGHYDFYHRT-QCYAWUEASA-N	403.526	4.535	50	20	HJGD	
CSSCCNC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21	807234037	WEHZUOQWHUMVGU-GFCCVEGCSA-N	407.424	4.639	50	20	HJGD	
N#C/C(=C\c1cn2ccc(Br)cc2n1)C(=O)c1c[nH]c2cc(F)ccc12	811688019	KPNZEGMWCJELJB-VZUCSPMQSA-N	409.218	4.507	50	20	HJGD	
Cn1cc(C(=O)NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c2ccccc21	812452187	DJAVROWWEKUQTK-UHFFFAOYSA-N	404.451	4.579	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCCC(F)(F)C2)c1C	814130122	NWDXAVMWBYCIKO-OVFJPYKSSA-N	407.505	4.551	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)cc(C#N)n1C	816802385	KEGNAIBHOXSFLW-OVCLIPMQSA-N	419.847	4.605	50	20	HJGD	
Cn1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21	817015324	XBWBLXRMZRMHHP-UHFFFAOYSA-N	401.310	4.973	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(NC(N)=O)cc2)c(C)n1C1CCCCC1	902000425	ZHZHDTYOAAZNTO-AQTBWJFISA-N	405.502	4.646	50	20	HJGD	
COc1cccc(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1	916287693	QHICEWKJRQIEJN-UHFFFAOYSA-N	416.506	4.628	50	20	HJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2cncc(Br)c2)cc1	1116395460	KWWPSOMGKHKCMD-UHFFFAOYSA-N	423.270	4.573	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1cc2sc(Nc3ccccc3)nc2s1	1320708380	QYFUTTYQJQNXSJ-UHFFFAOYSA-N	401.904	4.907	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc([S@@](C)=O)cc2)c(C)n1C1CCCCC1	1339532545	GNGPROCGQWIBKJ-NGNWLEOVSA-N	409.555	4.893	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1	1787596016	NGAJFTUAAOVJDB-GOSISDBHSA-N	415.921	4.707	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1	1789726524	DYDIXBIKVOUMAD-KRWDZBQOSA-N	420.340	4.890	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cnc(C)s3)cc2)CCC1	1791958845	MAXNTKWEJJTMDB-BBVFFXRHSA-N	417.962	4.616	50	20	HJGD	
CC(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)cc1	1830058054	TXLXZMZTPRPDEA-PMACEKPBSA-N	408.945	4.578	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)cc2)CC1	1831519793	YXFBPJSFWAEMNB-VXKWHMMOSA-N	419.009	4.565	50	20	HJGD	
Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccncc2)nc2ccccc21	19309533	LYVFXLOUIYVXTM-XDJHFCHBSA-N	402.461	4.885	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nnc4n3CCCCC4)o2)cc1	211500780	BZLCOCCQYHELHF-JXAWBTAJSA-N	402.454	4.505	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3F)s2)cc1	212801311	ZVQRDSAXROELAL-SSZFMOIBSA-N	419.481	4.802	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)c1ccc(Br)cc1	254499746	NQJMNCDZSZLFGJ-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
CCOc1cccc2cc([C@H](C)NC(=O)NNc3ccc(OC(F)F)cc3)oc12	726702218	HTMSUEWKMUQYSP-LBPRGKRZSA-N	405.401	4.820	50	20	HJGD	
CC(C)[C@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1nc(C2CC2)no1	727943928	UKZFUSVSPMTVNX-LBPRGKRZSA-N	418.712	4.931	50	20	HJGD	
COC1CCC(N(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)CC1	734353053	YLQCPAKUYGHRQX-RGEXLXHISA-N	409.505	4.556	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCOC[C@H]2c2ccco2)c1C	735025858	WLNSZZQKBWLTRT-YJADQXIJSA-N	415.493	4.503	50	20	HJGD	
Cc1ccc([C@H](O)CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)o1	741397801	WJDYTKPUCASYRP-RISCZKNCSA-N	408.829	4.662	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2c2ccc(C)cc2)c1C	741594822	PMMUYCNPYKPRDM-HDMRQQGGSA-N	405.542	4.721	50	20	HJGD	
O=C(CSc1cnccn1)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	742205052	WXZYGZHYNZRWDN-UHFFFAOYSA-N	416.428	4.655	50	20	HJGD	
CCOc1ccc(C(=O)NN=C(Cc2ccccn2)c2ccc(Cl)cc2)cc1OC	745198916	SPLYWKRIPRCMMI-UHFFFAOYSA-N	423.900	4.519	50	20	HJGD	
CCc1ccc(C(=O)Nc2sccc2C(=O)NNc2c(F)cccc2F)cc1	748171637	YBPPCOHQLABVTF-UHFFFAOYSA-N	401.438	4.598	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H](C[C@H]1CCOC1)c1ccccc1	754652703	GHHLFAFZRKEOMX-DYVFJYSZSA-N	411.399	4.639	50	20	HJGD	
C[C@@H](CNC(=O)NNc1c(Cl)cc(Br)cc1Cl)c1nccs1	758721988	CZAUCMAPGICLHO-ZETCQYMHSA-N	424.151	4.642	50	20	HJGD	
C[C@@H]1C[C@H](CCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	762680167	RRVZCDUDJIFMNG-VXGBXAGGSA-N	416.412	4.604	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2ncnc3ccsc23)c(C)n1C1CCCCC1	766679330	UUHWUSUXXISMIA-GZTJUZNOSA-N	420.542	4.665	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1Cl)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	767718819	ZXPSURJQMWJMTI-XGICHPGQSA-N	415.833	4.559	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NNc3nc4ccccc4[nH]3)cc12	768492286	MERINTWWULYJND-UHFFFAOYSA-N	422.901	4.682	50	20	HJGD	
CCc1ccc(C(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)cc1	768745474	ARLWFDJLGOBGAQ-VWDOLHBHSA-N	422.525	4.596	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c3ncc(C)o3)c2C)cc1	770903655	VXEOJLZHVOTLQP-HPKGMJOESA-N	405.454	4.611	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cn(C)nc2-c2ccccc2)c(C)n1CC(F)(F)F	771521576	TXWQNBRPAOUWKN-LICLKQGHSA-N	412.415	4.858	50	20	HJGD	
COc1ccc(Sc2ccc(NC(=O)NNc3ncc(F)cn3)cc2Cl)cc1	775565261	JXJAEJJRDNDXKE-UHFFFAOYSA-N	419.869	4.578	50	20	HJGD	
O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NNc1ccc2ccccc2n1	777464133	FJMOSPQGASJAPS-UHFFFAOYSA-N	416.428	4.939	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1	788190703	ZPTQJYUEGKUNEV-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc(Cl)n1	788697541	BGQVSJIPNYOSRB-UHFFFAOYSA-N	409.902	4.516	50	20	HJGD	
C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	788913361	OCCKJSWKTUOKPP-OLZOCXBDSA-N	422.485	4.743	50	20	HJGD	
CN(C)Cc1cnc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)s1	794695823	PTHOBTPGNNIQNK-VBKFSLOCSA-N	404.495	4.543	50	20	HJGD	
O=C(NNC(=O)[C@H]1CCC(F)(F)C1)c1ccc(CSc2ccc(Cl)cc2)cc1	794863947	ARGBGFPKPIUBPP-HNNXBMFYSA-N	424.900	4.829	50	20	HJGD	
CO[C@@H](C)c1nsc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)n1	800990264	MHINACUFNKFOOW-GYKGCMEESA-N	421.526	4.507	50	20	HJGD	
O=C(NNC(=O)c1cccn1Cc1cccs1)Nc1ccc(-c2ccccc2)cc1	802039454	IYAKSKZDJXFYPJ-UHFFFAOYSA-N	416.506	4.731	50	20	HJGD	
Cc1noc([C@@H]2CCCN2C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	807766164	ABQYODUALKSRJK-FNGUVFISSA-N	407.518	4.572	50	20	HJGD	
C[C@@H]1CN(Cc2ccc(CNCc3ccc(OCCCCl)cc3)cc2)C[C@@H](C)O1	811472750	JRLAQFXHQSOTQA-WOJBJXKFSA-N	416.993	4.593	50	20	HJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	815588843	AGTFJACGMHMOQW-UHFFFAOYSA-N	421.682	4.526	50	20	HJGD	
COC(=O)c1cc(NNC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)ccc1C	816690413	QSMKGHXMRCAJBW-YBEGLDIGSA-N	412.795	4.524	50	20	HJGD	
N#C/C(=C/c1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	912774549	IWIUKSQDNNHBRF-SILNSSARSA-N	423.472	4.917	50	20	HJGD	
C[C@H]1CN(Cc2ccc(CNC(=O)CCCC[C@H]3CCSS3)cc2)C[C@@H](C)O1	914870160	TXPYDCMIDZJZNG-UEXGIBASSA-N	422.660	4.626	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	915842806	UOXUJXIZAIHXIH-VBKFSLOCSA-N	410.861	4.784	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2)c2ccncc2)c(C)n1CC(C)C	917370404	UVPWQDALJJRFNH-VVIXHQMUSA-N	412.537	4.969	50	20	HJGD	
Cc1ccsc1CNC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918266045	LXCUXNADEJPJHX-OAHLLOKOSA-N	422.881	4.531	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3ccc(C)cc3)n2)cc1	918713237	QFKYEEBBZHKIQW-BOPFTXTBSA-N	402.479	4.623	50	20	HJGD	
C=CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1	919873157	KJWYFBLCRMJBMB-HKWRFOASSA-N	423.476	4.574	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2Br)c1C	1320461399	JFHZESNDWOTFSX-WJDWOHSUSA-N	416.319	4.832	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNC(=O)c1ccccc1Cl	1320522261	IOFCALZFOWBEHE-UHFFFAOYSA-N	413.930	4.506	50	20	HJGD	
C[C@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1	1786013310	AGEDRAYFAIPWQI-MRXNPFEDSA-N	416.949	4.857	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C=O)s3)cc2)CCC1	1788150166	TXFTUGNZDISOHY-QGZVFWFLSA-N	418.946	4.716	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4ccsc4[nH]3)cc2)CCC1	1790876641	AOPAVEDSXGINBS-MRXNPFEDSA-N	415.946	4.995	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1	1791363772	QYDJBJQUFPCEAJ-MAUKXSAKSA-N	419.363	4.650	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2C)n[nH]1	1814607089	SDTRPVHYKBBUIO-MAUKXSAKSA-N	420.916	4.571	50	20	HJGD	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](Cl)CCC)n[nH]1	1815315345	WSAZVUWOAYKJHD-WBVHZDCISA-N	408.974	4.802	50	20	HJGD	
C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1)c1cccs1	1822703233	HUQZZAQBQLSCIK-DZGCQCFKSA-N	422.982	4.532	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OCc1ccccc1	212594526	GPAWFJHFTNMKBE-UYRXBGFRSA-N	402.425	4.959	50	20	HJGD	
Cc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccccc2Br)c1	728787621	PYGZGAIPOWOBSN-XNTDXEJSSA-N	407.271	4.693	50	20	HJGD	
CC(C)(C)CCCCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	729388871	RIUKUVSNHDSKGC-CAPFRKAQSA-N	403.530	4.703	50	20	HJGD	
CCCCN(C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCOC)c2C)cc1	730508417	QDTGACXBZFUNQW-LTGZKZEYSA-N	408.546	4.533	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1ccccc1	731930705	INHMVBLNMDTPTA-GOSISDBHSA-N	407.426	4.507	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cc3ccccc3c3cccnc23)c1C	734256471	XIUYKFDDYHIKIQ-UHFFFAOYSA-N	420.476	4.614	50	20	HJGD	
C[C@@H]1CC(=NNC(=O)c2ccc(COc3ccccc3)o2)CCN1Cc1ccccc1	734297274	VWINBTZZQRMJHF-LJQANCHMSA-N	417.509	4.629	50	20	HJGD	
O=C(NCCC(c1ccccc1)c1ccccc1)NNC(=O)Nc1ccc(Cl)cc1	734515628	NZVCCXDBPWTBFV-UHFFFAOYSA-N	422.916	4.898	50	20	HJGD	
O=C(CCCCC(=O)NN=C1CCC[C@H](C2CC2)C1)NN=C1CCC[C@H](C2CC2)C1	737418195	RKCWLNMKUGXAAR-PMACEKPBSA-N	414.594	4.692	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(O)nc2ccc(F)cc12	737465052	BUQPHPSODFOJAY-UHFFFAOYSA-N	400.624	4.797	50	20	HJGD	
CCc1noc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	741819319	FLCZADBMHSEYGF-ZXMBATIKSA-N	424.888	4.904	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1	744571777	VPYLHPUBAZBXIS-YSKWHIJTSA-N	412.873	4.525	50	20	HJGD	
CCOc1ccc([C@@H](NC(=O)NNc2ccc(Cl)nc2)C(C)C)cc1OCC	745395040	WQNMDESAHBEDBK-IBGZPJMESA-N	406.914	4.556	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(F)(F)F	750898910	ACASSSDUATUMBO-NTEUORMPSA-N	408.351	4.711	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)N[C@@H](c1ncc(C)s1)C1CC1	753194134	CUNSWSWBWUJZQP-OAHLLOKOSA-N	409.353	4.554	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1c(C)nn(CCCl)c1C	754431264	HFWQOXDDWAYAQD-UHFFFAOYSA-N	406.914	4.646	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)c1C	755376729	JTMUCLBBLDIACG-MOSHPQCFSA-N	419.504	4.908	50	20	HJGD	
CCOc1cc(Cl)ccc1NC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	759485313	ZXTFEHDIJYQNMZ-PACYTGELSA-N	415.921	4.910	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2cccnc2Oc2cccc(Br)c2)c1	760134377	XTVIGACQYGMRLH-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(F)c(C(F)(F)F)c(F)c1	760463105	NLLYGIKXGMPRAF-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cccc(NC(=O)c2ccco2)c1	768011504	BILBFTSQNUSNFR-UHFFFAOYSA-N	408.216	4.735	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	772892512	LQYBTUVLYSJSQI-IBGZPJMESA-N	414.481	4.855	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)n1C1CCCCC1	773762192	VWPSGUJNJUXYKQ-ZFMLPXDISA-N	421.541	4.676	50	20	HJGD	
COc1c(Br)cccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	773905711	CCINADBSUNLBEB-LCYFTJDESA-N	405.679	4.965	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)c1	777465762	HDZSWDKBBDJELP-NVMNQCDNSA-N	411.383	4.749	50	20	HJGD	
C[S@](=O)c1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777632712	QWQRTMQDFGGEAW-QHCPKHFHSA-N	421.434	4.882	50	20	HJGD	
C[C@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1ccc(OC(F)F)cc1	779523995	XWTCXHAYPZXHRE-JTQLQIEISA-N	405.323	4.574	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1	784803532	MOOOIOBWXNZKOF-UHFFFAOYSA-N	413.493	4.526	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1csc(-c2cccc(OC)c2)n1)c1ccccc1	787140295	FZTFUILRZJQERY-MUPHDSPYSA-N	403.507	4.993	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(OC(F)F)c3ncccc23)ccc1Cl	788580815	PPZBRTCEMBJYIL-UHFFFAOYSA-N	408.792	4.647	50	20	HJGD	
COc1cc(NNC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)ccc1Cl	789099550	ITNBGVJGAZISDA-IBGZPJMESA-N	417.296	4.813	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)Nc1cccnc1Oc1ccc(Cl)cc1Cl	791904069	GHUFUKNZLLASIA-UHFFFAOYSA-N	409.273	4.524	50	20	HJGD	
CCCOc1c(Cl)cc(C=NNC(=O)c2cc(-c3ccccc3)on2)cc1OC	794778519	ACVQNQXWXMYOQU-UHFFFAOYSA-N	413.861	4.556	50	20	HJGD	
CCn1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(C(F)(F)F)n1	797787330	LWPHZJJKRPJNNP-UHFFFAOYSA-N	401.603	4.639	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1	799757015	QCEOPPOJGJAPSO-INIZCTEOSA-N	419.485	4.791	50	20	HJGD	
CO[C@H](C)c1nsc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)n1	800990266	MHINACUFNKFOOW-YCPFAOKUSA-N	421.526	4.507	50	20	HJGD	
CC(C)[C@H](C(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1cccnc1	802071118	QMQJYLDDBQNESM-AWEZNQCLSA-N	415.708	4.634	50	20	HJGD	
C/C(N)=C(/C#N)c1nc(-c2cc(Br)sc2Br)cs1	806553699	WDGKXWYVMJFXLQ-FNORWQNLSA-N	405.140	4.610	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	813046492	BQXIZTDPYORBHK-UHFFFAOYSA-N	413.827	4.872	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cc(F)c(Cl)cc1N1CCOCC1	813884047	ZSDVDMDMLMOWCK-ZDUSSCGKSA-N	418.987	4.968	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(Cl)nc2ccccn12	817016003	BEGLFRVZZSUGNE-UHFFFAOYSA-N	422.716	4.782	50	20	HJGD	
N#Cc1ccc(OCC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cc1	878640773	JLCVCWDBWDKWFX-INIZCTEOSA-N	400.809	4.795	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C)n1CCC(C)C	914728616	DANOUNUNGDOZQQ-FYJGNVAPSA-N	408.502	4.625	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)c1c[nH]c2ccccc12	915851490	ISGMUCFVJAAUNO-ATVHPVEESA-N	400.438	4.856	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1OC(F)F	916359688	KEWAJFSBYUONDS-UHFFFAOYSA-N	400.381	4.614	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1	916510222	FABMNBLXVDLTKU-GRSHGNNSSA-N	417.490	4.516	50	20	HJGD	
N#C/C(=C\c1cccc2c1OCCO2)C(=O)Nc1nc(-c2ccccc2Cl)cs1	917516774	FIGSBWKYDKHFSZ-GXDHUFHOSA-N	423.881	4.780	50	20	HJGD	
COc1ccc(Cl)cc1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	917539157	VINXVIHPQYYQGP-UHFFFAOYSA-N	405.841	4.921	50	20	HJGD	
O=S(=O)(Nc1ccccc1COCc1ccccc1)c1ccc(CCCl)cc1	917745953	BXZQWWDROBBITD-UHFFFAOYSA-N	415.942	4.986	50	20	HJGD	
O=P(CCN(Cc1ccccc1)C[C@@H]1CCCO1)(c1ccccc1)c1ccccc1	919674671	DVGFQFMFAHYODE-DEOSSOPVSA-N	419.505	4.682	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)c1c[nH]c2cc(Cl)ccc12	920243419	IYHCBLJMGZFZBY-ACAGNQJTSA-N	416.824	4.730	50	20	HJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cc(OC)c(O)cc2Br)c1C	921262737	XYOJOJMXDNMAFT-OVCLIPMQSA-N	417.303	4.782	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccn(C3CCCCC3)n2)c1C	1116798515	FAWJPXSEWPHMIU-IZQLPPHKSA-N	409.534	4.560	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1C	1322350268	CVGQDURJSWCEHZ-BWCLHNGZSA-N	415.541	4.704	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc3ccccc3n2Cc2ccccc2F)nn1	1323002092	UDEZBCZEKMFUJD-UHFFFAOYSA-N	417.488	4.673	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3F)CCC2)cc1	1790490242	YWJSTJXNNQNZJY-SFHVURJKSA-N	418.896	4.599	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]3C)CCC2)cc1	1791359726	WLKTWHSDDNFMJW-OLMNPRSZSA-N	421.379	4.730	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)[nH]n1	1815324098	JEYLKOGGEPISIU-OVWQWFNUSA-N	408.974	4.636	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3ccccc3[N+](=O)[O-])n2)c1	8200095	RKYCPBBBPIRKTN-MHWRWJLKSA-N	404.451	4.881	50	20	HJGD	
CCN(C(C)=O)c1nc(/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cs1	63278951	HGNMOXCMNZKNQX-DHDCSXOGSA-N	410.524	4.712	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C	105287464	KDQCCFHUMCYJSP-KDVQLTRESA-N	405.420	4.877	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1C[C@@H]1CCCO1	220063450	GLRRPCRUCNQWMX-PSXSOWLISA-N	417.431	4.848	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1C	301399767	QJNYLHUFNBGHEF-WJDWOHSUSA-N	405.470	4.612	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCOCC2)c(F)c1)C(=O)c1cc(Cl)cc(Cl)c1	727266792	FWXFPXPQIJNFGE-VIZOYTHASA-N	405.256	4.759	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CCCC[C@H]2CCSS2)cc1	727497111	HJBHLUOLUSFNNM-INIZCTEOSA-N	413.634	4.506	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c(C)n1-c1ccc(F)cc1	727806383	WWYXSWMGAXFZOU-UHFFFAOYSA-N	420.271	4.615	50	20	HJGD	
Cc1ccc(C(C)(C)CNC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	728484313	KUWBUXXHAMGITD-YMSBRDKKSA-N	419.569	4.593	50	20	HJGD	
CCOCc1cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)ccc1OC	730436400	KFFICGGXLQHQAB-MDWZMJQESA-N	406.301	4.846	50	20	HJGD	
CC1(C)CCc2cc(/C=C(/C#N)C(=O)Nc3nc(-c4ccncc4)cs3)ccc2O1	731563855	WTYBVXWLRBLJFI-PDGQHHTCSA-N	416.506	4.854	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc(COc2ccccc2)cc1	732977179	DLZXVGJSITYVEY-UHFFFAOYSA-N	420.856	4.726	50	20	HJGD	
CC[C@@H]1c2ccccc2CCN1C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	733943422	TXHZNCYUCSEIMI-PHZCAERGSA-N	405.542	4.755	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2(C(F)(F)F)CCCCC2)c(C)n1C[C@H]1CCCO1	735249238	SZFPRWOWGYZABJ-XLXASQRYSA-N	423.479	4.572	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](CC)C(=O)c2ccc(OC)cc2)c1C	738590399	IPZUTOKHKRGABY-FBHQFGEZSA-N	408.498	4.635	50	20	HJGD	
CCN(c1ccccc1)c1ccc(CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)cc1	742118592	NZWRBVSFNHJINJ-HMAPJEAMSA-N	423.520	4.587	50	20	HJGD	
C[C@@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccc(Br)s1	743295705	AOUSFMHVRKWBMB-SECBINFHSA-N	410.724	4.959	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1occc1COc1ccccc1	748200147	GVPYSGXDRAMZBU-UHFFFAOYSA-N	405.223	4.517	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1	748673160	ZIXHJLJALMHRGX-NRFANRHFSA-N	409.555	4.899	50	20	HJGD	
Cc1cccc([C@H](NC(=O)NNC(=O)c2ccc(Br)s2)C(C)(C)C)c1	749614558	CQLVGXMAGSHXKH-HNNXBMFYSA-N	424.364	4.550	50	20	HJGD	
CC(C)CC(C)(C)CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	752761284	MSXXJRQLIMPQTL-DEDYPNTBSA-N	403.530	4.559	50	20	HJGD	
NC(=O)CCC1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752972198	IYINYJDGIRUNQI-UHFFFAOYSA-N	401.401	4.853	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	755468130	HAYXSBAFUQYXDO-LRDDRELGSA-N	419.298	4.726	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1ncc(C2CCCCC2)s1	756201283	SGRXUZABINVGOV-UHFFFAOYSA-N	413.330	4.579	50	20	HJGD	
COc1ccc(-c2cncc(C(=O)NNC(=S)Nc3ccccc3C(C)C)c2)cc1	758154730	JITHXHJTUJMJCL-UHFFFAOYSA-N	420.538	4.512	50	20	HJGD	
COc1cc(/C=C(\C#N)c2ccncn2)ccc1OCc1ccc(Br)cc1	758911751	KQLAMWRMHBYLTF-LICLKQGHSA-N	422.282	4.891	50	20	HJGD	
COc1ccccc1CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772811365	PZLYJHWBZSGPOE-UHFFFAOYSA-N	410.364	4.608	50	20	HJGD	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NNc1ccc(OC(F)F)cc1	775175423	FECXKSKQUQSUSV-OAHLLOKOSA-N	403.351	4.916	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3ccc(C(F)(F)F)cn3)cs2)cc1	775251944	HTHBOZUHCSRRCM-UHFFFAOYSA-N	422.432	4.770	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)nc1	781520969	KTDISXJUSRMBPY-UHFFFAOYSA-N	410.886	4.777	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NN=c1cc[nH]c2ccccc12	782114313	JJWCSRVRSDIBMI-UHFFFAOYSA-N	413.264	4.684	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(-c2ccc(F)c(Cl)c2)nn1	782886210	AVEPEWBWWHOUOG-KPKJPENVSA-N	416.243	4.567	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2ccccc2SCc2ccccc2)c1	783366846	RSZUZPLWPXMCLI-UHFFFAOYSA-N	405.523	4.678	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3)c(C)s2)c1C	790041810	BNNAGRBCJQFTLV-MOSHPQCFSA-N	420.538	4.729	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(COc2ccc3ccccc3c2)o1	790590514	CLARXPWVMKJRPL-UHFFFAOYSA-N	421.384	4.816	50	20	HJGD	
Nc1c(Cl)ccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1Cl	791306736	TWYGCBIRGSWEFS-UHFFFAOYSA-N	424.284	4.518	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccc2cccc(Br)c12	805384787	KEMHSBBHNKTHGE-UHFFFAOYSA-N	400.232	4.576	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc3sccc3c2)c1C	811589587	YEYPNTSGNUOWBZ-SJJOQSKNSA-N	407.539	4.750	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1csc(COc2ccc(F)cc2)n1	891387523	INTKUEKIPIPNAH-UHFFFAOYSA-N	402.403	4.605	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNC(=O)C1CCCC1	914836686	WCOISIWQJFQKLW-UHFFFAOYSA-N	413.736	4.840	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc2ccccc2nc1N1CCCCC1	915847815	VFYQGCAPXMZINQ-SILNSSARSA-N	412.493	4.779	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1	916131176	DMHWUSYHYLJFIR-QGOAFFKASA-N	401.426	4.699	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2csc(Nc3ccccc3C)n2)cc1	916602017	ONAYWDODOVZFAA-BOPFTXTBSA-N	405.479	4.854	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C)on2)c1C	917034481	UUHCGHSUDGGANB-RQZCQDPDSA-N	424.888	4.907	50	20	HJGD	
N#C/C(=C\c1ccc(F)c(-c2cccs2)c1)C(=O)N1CCn2c1nc1ccccc12	917622107	NJMDPGSMXFCUPE-FOWTUZBSSA-N	414.465	4.858	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1	920065383	NMEOCZLGYCZRAC-QGOAFFKASA-N	423.432	4.694	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)cc2)cc1Cl	921259612	VWDHOVJSGYSGLQ-JYRVWZFOSA-N	410.779	4.835	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CCc2ccccc2)C(C)C)c1C	1115834759	QVNCFWREQUEHTH-ZOLHPDHPSA-N	407.558	4.699	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2c(OC(F)(F)F)cccc2[nH]1	1255296315	KVSASADFTWWPLS-UHFFFAOYSA-N	419.281	4.722	50	20	HJGD	
O=C(Nc1ccnc(Cc2ccccc2)n1)NN(Cc1ccccc1)c1ccccc1	1342176177	XEQVBYYDLVBGFV-UHFFFAOYSA-N	409.493	4.811	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccn3)CCC2)cc1	1786444187	DXMFUXOMRFWMID-KRWDZBQOSA-N	420.340	4.890	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c(C)cccc34)CCC2)cc1	1790489410	YVBLJMSWZTYQCZ-SFHVURJKSA-N	424.932	4.636	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)CCC1	1791533519	NDYSBAVVUMDASH-HKBOAZHASA-N	410.945	4.942	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CO[Si](C)(C)C)CC1	1831465380	MEFDZUFZTLEXQL-PZJWPPBQSA-N	424.702	4.674	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)ccc1OC(C)C	17475210	PKKFFDYMJKZCNO-LICLKQGHSA-N	420.494	4.547	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cc3ccccc3o2)c(C)n1C[C@H]1CCCO1	26386429	GWAINJSUDSWPFQ-FQAPVCTDSA-N	417.509	4.815	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(-n4cncn4)c(F)c3)n2)cc1	63278965	VUYMJTWLNASWTK-LZYBPNLTSA-N	403.442	4.603	50	20	HJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)o1	215874005	QJIDXOPBNGNEQS-OWBHPGMISA-N	406.825	4.932	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(Cc2ccccc2)ccc1O	727174451	OAUXRFDOKHVXDK-UHFFFAOYSA-N	419.550	4.738	50	20	HJGD	
O=C(NC[C@H](O)c1cccc(F)c1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	728735068	JUGJOOPVJFDYTG-DZGCQCFKSA-N	422.831	4.900	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccc2)C2CCC2)c1C	729657985	SARMCAMWYCCKRQ-KPLFKWQSSA-N	405.542	4.877	50	20	HJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)cc1OCC	730436825	MNZQOBCEUPOGGI-GXDHUFHOSA-N	416.296	4.711	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCc3cccc(F)c3[C@H]2C)c1C	737698630	DCCLPFIGJVBNOG-QGHRKWBVSA-N	409.505	4.504	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1csc(-c2ccccc2)n1	739312071	ZKHFQXNMYVCXER-UHFFFAOYSA-N	405.229	4.700	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc1OC	741469879	OBSPDKZAUHVGPN-NTUHNPAUSA-N	413.275	4.500	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C3CCCCC3)[nH]n2)c(C)n1C[C@H]1CCCO1	743454353	HTHSKUHCRJOSKX-FVIRYLMMSA-N	421.545	4.600	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c1C	744693015	UUNURHCGCDZOJS-MIDMBNTASA-N	415.541	4.875	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)c2cccc(C)c2)c1C	745100283	RNTWWWPESQSZEW-UUMRFZBWSA-N	407.558	4.622	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2Br)c(C)n1Cc1ccccc1	748077093	BWLIORISBZPDPJ-UHFFFAOYSA-N	416.294	4.812	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1	748407866	MLBGNRKXGXRLQF-INIZCTEOSA-N	405.458	4.537	50	20	HJGD	
Cc1c(NNC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)cccc1[N+](=O)[O-]	748666995	UITUYVZIRMQLDX-UHFFFAOYSA-N	423.473	4.662	50	20	HJGD	
COc1ccc(C(=O)NNC(=S)Nc2ccccc2C(C)C)cc1-c1ccccn1	754880496	HTTCJJLYKKAFSC-UHFFFAOYSA-N	420.538	4.512	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cn(-c2ccc(Cl)cc2Cl)nn1	755572173	KQHQGWMPQLQDEB-RIYZIHGNSA-N	412.280	4.737	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	756033561	YCMNXYHXHYLNNP-LLVKDONJSA-N	404.363	4.561	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cnccc2-c2ccccc2)c1C	759721538	FBMSIXLVCXQJAE-FPJJECCMSA-N	414.509	4.920	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H]1CCO[C@@]2(CCOC2)C1	762973415	XFKAMIZRACUYPB-WFASDCNBSA-N	402.385	4.804	50	20	HJGD	
CCC1(CO)CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	763915260	PPVCAZSDUDJKFX-AWEZNQCLSA-N	410.889	4.922	50	20	HJGD	
CC(=O)Nc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc(C(F)(F)F)c1	767396245	OEJKYPARLNQGRS-UHFFFAOYSA-N	424.181	4.867	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)c2c[nH]c3ncccc23)c1C	767543786	UBNRUXSGBGQGSB-UEXNTNOUSA-N	418.497	4.503	50	20	HJGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	773146355	XBCHESYMBLIUFG-CDCQXCROSA-N	421.346	4.575	50	20	HJGD	
C=CCCC[C@H](C)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	776016210	MRQQJFXFWULPJP-FJSNCCPHSA-N	421.932	4.885	50	20	HJGD	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNc1nc3ccccc3cc1C)O[C@H](C)C2	777479530	ZEUBQDFWKWAPJL-BPAFIMBUSA-N	417.509	4.512	50	20	HJGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccc(Br)cc2C(F)(F)F)CCO1	780496271	NPYCIPQUPSBDAE-PWSUYJOCSA-N	409.246	4.506	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)c(COC(C)C)c2)c(C)n1CC(C)C	811594057	KSAFMMRNLYRRJQ-KEBDBYFISA-N	409.530	4.937	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1	841249429	CFEKALXEEUWLRA-UHFFFAOYSA-N	413.865	4.545	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)c1c[nH]c2cc(F)ccc12	917620930	BDYXXZBTDSZQEW-YBEGLDIGSA-N	418.428	4.995	50	20	HJGD	
O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NNc1ccccc1C(F)(F)F	920239627	VHUBPKAKFFPSEJ-UHFFFAOYSA-N	420.366	4.858	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C(C)CCc2cccc(C)c2)c2ccccc2c1=O	920365075	JDZTWQDRGIGCSH-UHFFFAOYSA-N	418.541	4.634	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCCO2)C(=O)c1ccc(F)cc1	921266572	ZEJOFZFLMGUNCH-RIYZIHGNSA-N	402.219	4.539	50	20	HJGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	1318564786	PNGYXDUWNYJXPP-KRWDZBQOSA-N	415.559	4.537	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1	1786442009	HBFPIWRTVHOKLG-NRFANRHFSA-N	423.944	4.642	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3cc(C(C)(C)C)oc3C)C2)CC1	1808383625	SGWSQJYJDPBYAK-SFHVURJKSA-N	422.997	4.748	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2C)CC1	1832570707	WTJBWWKRVGPGMO-LEWJYISDSA-N	404.982	4.554	50	20	HJGD	
Cn1ccc(C(=O)N2CCCC23CN(C(=O)CCCCCCCCCCCl)C3)c1	1842345921	JWESXXSVCMCGOT-UHFFFAOYSA-N	422.013	4.592	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c1C	727395759	NOJRDHPELNGVPZ-RQLGBQGVSA-N	409.505	4.551	50	20	HJGD	
O=C(CCc1cccc(OC2CCCC2)c1)NNc1ccc(Cl)cc1[N+](=O)[O-]	727674305	QECZXZJBSQVYID-UHFFFAOYSA-N	403.866	4.646	50	20	HJGD	
N#Cc1ccccc1OCc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)o1	727759356	ZGZXJONOMURLLX-UHFFFAOYSA-N	401.344	4.506	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c(Cl)c1OC	730430589	HXQYATVFPFUDEQ-UHFFFAOYSA-N	418.877	4.989	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccccc1	731931692	NTQTVRLMQMTPPI-OAQYLSRUSA-N	420.538	4.780	50	20	HJGD	
Cc1ccc(CCNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cn1	732417491	VHYNYBRZLQQLQW-HNNXBMFYSA-N	403.857	4.974	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1cccnc1SCC1CCCCC1	734550720	ZSGGZUHXSXKFKF-UHFFFAOYSA-N	421.364	4.668	50	20	HJGD	
CC(C)(C)[S@@](=O)CCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	735864021	MXKKIMZYVVBOGM-YDBLSZJJSA-N	416.918	4.575	50	20	HJGD	
Cc1cc(C(=O)CCC(=O)NNc2c(F)cc(F)cc2Br)c(C)s1	742108037	AZOWARBVPGWINU-UHFFFAOYSA-N	417.275	4.512	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)Nc1ccccc1F	743057779	DGVLUKAJUWYYQO-IUYQLWOBSA-N	400.837	4.583	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2C(=O)c2ccccc2)cc1C(F)(F)F	746893773	GKGPHSZXTFZIMY-UHFFFAOYSA-N	409.367	4.565	50	20	HJGD	
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ccccc2F)c1	748050256	SZTMFIQMMJXKAO-UHFFFAOYSA-N	416.456	4.503	50	20	HJGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NNc1ccccc1Br	748070709	UVXGCQMUFFDAOB-UHFFFAOYSA-N	422.131	4.924	50	20	HJGD	
CSCc1c(C(=O)NNc2ccc(Br)cc2F)oc2ccccc12	748200841	GGEZXRBUEBHHOK-UHFFFAOYSA-N	409.280	4.954	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1	748300532	UKPXFYVOINCHDT-STZFKDTASA-N	417.534	4.783	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)Cc1csc(-c2ccccc2)n1	748737133	QTTKMYGFKBYCOC-UHFFFAOYSA-N	402.317	4.567	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccccc1NCc1cccnc1	749289198	KFORMUXLXJBTIH-UHFFFAOYSA-N	411.303	4.522	50	20	HJGD	
Cc1cscc1C(=O)NNc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1	749389901	PWWKIJXNCKMEEJ-UHFFFAOYSA-N	418.522	4.636	50	20	HJGD	
CCCC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccc(Cl)cc1Cl	755546251	QFCWVYYLCDWRIF-UHFFFAOYSA-N	403.269	4.576	50	20	HJGD	
O=C(NNc1nc(O)c2ccccc2n1)c1ccc(Oc2ccccc2Cl)cc1	758307530	NWQLXNHZGZSBMO-UHFFFAOYSA-N	406.829	4.538	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	760653151	KCRROFGCWITLAN-SVFBPWRDSA-N	411.608	4.730	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2ccc(F)c(C#N)c2Cl)cc1	761392547	NKEOZTCYLMSHFE-YBEGLDIGSA-N	419.847	4.699	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C3CCCCC3)nn2C)c1C	764162931	UXDIQLRAAUSRCA-WCEBZYJUSA-N	423.561	4.639	50	20	HJGD	
COc1cc(OC)c(OC)cc1NC(=O)NNc1c(Cl)cc(Cl)cc1Cl	770074094	UFQAGJUGDSCGQQ-UHFFFAOYSA-N	420.680	4.821	50	20	HJGD	
O=S(=O)(NCC1(c2ccccn2)CC1)c1cccc(S(F)(F)(F)(F)F)c1	774915241	ZOYPEKSFXRNPOV-UHFFFAOYSA-N	414.421	4.749	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc(-c2ccccc2)n(-c2ccccc2)n1	775265925	YSHKFPUWEGMQSI-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1	777513957	NIONYUYMEKUNHV-GHRIWEEISA-N	410.433	4.834	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(Cl)cn2)c(C)n1C[C@@H]1CCCO1	781717854	RUQIEJNMJQEDKI-MNKDURAMSA-N	413.905	4.544	50	20	HJGD	
O=C(NCC1CCC(F)(F)CC1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	800024894	UKVLXWOYQYYATF-UHFFFAOYSA-N	402.445	4.515	50	20	HJGD	
N#Cc1cccc(Oc2ccc(NC(=O)NNc3nccnc3C3CCC3)cc2)c1	806264814	HPOFJBKYGLELEG-UHFFFAOYSA-N	400.442	4.557	50	20	HJGD	
O=C(NNc1ccc(F)cc1)c1ccccc1OCc1cccc(Br)c1	912710047	KLWVPUNJQDUJCT-UHFFFAOYSA-N	415.262	4.924	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2C)C2CC2)c1C	914487168	GHKAFBICUCQFBL-VFOSSOBBSA-N	405.542	4.719	50	20	HJGD	
Cc1cc(C)n(-c2ccc(NC(=O)NN(Cc3ccccc3)c3ccccc3)cn2)n1	915700038	XOUQKUNWTSUHMC-UHFFFAOYSA-N	412.497	4.627	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccccc3Cl)c2C)c1	915842826	AGKIAQOWMBQWID-WQRHYEAKSA-N	420.900	4.756	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Oc2ccc(Cl)cc2)c(-c2ccccc2)n1	916851469	OSNWGKYNWKCBBD-LGMDPLHJSA-N	402.841	4.630	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1C	920006065	FSLAAROBGABZNH-BCGDRIGESA-N	405.542	4.630	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2ccccn2)nc1O	920243160	CRRIIOWJOLRSRJ-UHFFFAOYSA-N	409.660	4.566	50	20	HJGD	
CC(C)Oc1cccc(/C=C(/C#N)c2nc(O)c3cc(Br)ccc3n2)c1	921265328	DMOVFNMUKORCMK-ZSOIEALJSA-N	410.271	4.949	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(-c3cc4c(s3)CCC4)o2)c1C	1323956855	PZPQMUIJRLETRG-BBSXFRJVSA-N	408.527	4.977	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1	1786447172	VTZIKORTAVRSPW-LJQANCHMSA-N	402.922	4.672	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CSC3CCCC3)CCC2)cc1	1790487870	OUBYBVUNIMXOJW-GOSISDBHSA-N	408.995	4.814	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(F)c3)CCC2)cc1	1790489443	DBYYOGVQFRLHKC-GOSISDBHSA-N	406.860	4.730	50	20	HJGD	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](Br)CC)CCC2)cc1	1791254687	WETVEJKLIIZMPP-RHSMWYFYSA-N	407.352	4.506	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)[C@@H](CC)c3ccccc3)C2)CC1	1809007182	XWTIGAAQTVKZRQ-SFTDATJTSA-N	419.009	4.819	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)[nH]n1	1815322080	LDYFIEOQNQVEBC-HKUYNNGSSA-N	416.953	4.740	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2C)CC1	1824615212	CHBLCRJEARUHIB-VXKWHMMOSA-N	419.009	4.944	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2)CC1	1829997306	FORYSJMGEFWBFW-LEWJYISDSA-N	404.982	4.636	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(Cl)c(Cl)c2)c1C	5674598	NMOLNMMNUSUXOW-LICLKQGHSA-N	407.297	4.709	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2OC(F)F)cc1	196381685	IKGJYFIXYIGKMS-OVCLIPMQSA-N	415.364	4.536	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc(Br)c1O	207666632	IGGJQASHDVXSMV-NTUHNPAUSA-N	411.255	4.825	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COc1ccc2ccc(=O)oc2c1	301582895	USZDTLGEKJRODO-UHFFFAOYSA-N	408.479	4.508	50	20	HJGD	
CC(C)(C)OC(=O)NC1CCC(=NNC(=O)c2c(Cl)cccc2Cl)CC1	731926552	JZHLPSOPGGHLPS-UHFFFAOYSA-N	400.306	4.547	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)N(CC(F)(F)F)C1CC1	732714672	BUQPCADMJGDMIJ-UKTHLTGXSA-N	421.400	4.784	50	20	HJGD	
COc1cc(C(=O)NNc2nccc3sccc23)cc(Cl)c1OCC(C)C	734248901	AJTBSMLVDYCVAK-UHFFFAOYSA-N	405.907	4.750	50	20	HJGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)o1	749450734	DBCKYIXHIZMHCA-OQLLNIDSSA-N	421.478	4.661	50	20	HJGD	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1cc(F)c(F)c(F)c1	750247738	SVJUHMZQXSWSIC-VIFPVBQESA-N	411.836	4.929	50	20	HJGD	
CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1	751272018	XMABGCBZIDSSII-UHFFFAOYSA-N	422.978	4.577	50	20	HJGD	
CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	752631961	SNWIUHSSUZGUDT-NHYWBVRUSA-N	424.872	4.713	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	754403770	HPZQZNYCXTXZDV-QOWREQOWSA-N	420.884	4.985	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1cccc(C2SCCS2)c1)c1ccccc1	755535526	PPLBYGYBYYAGAW-KRWDZBQOSA-N	401.557	4.512	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)NNC(=O)c3cccc4ccccc34)cc2)nc1	756564993	WVSXETFQAUQXEJ-UHFFFAOYSA-N	412.449	4.802	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc(CSc2ccc(Cl)cc2)cc1	759292220	RRIBYDRIANNHMU-UHFFFAOYSA-N	414.874	4.692	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCO[C@H](C2CC2)C1	765121480	TUXIDLKTWLAWFC-ZLDLUXBVSA-N	408.873	4.985	50	20	HJGD	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NNC(=O)c1cccc2ccccc12	767815712	ZTNHLNYRNNOFEK-LJQANCHMSA-N	415.415	4.786	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3cnoc3C3CC3)c2C)cc1	773426794	DIJAJBJDTASRID-YBFXNURJSA-N	417.465	4.619	50	20	HJGD	
CN1C(=O)CCc2cc(/C=C(\C#N)C(=O)c3ccc(F)c(C(F)(F)F)c3)ccc21	773915366	LQKCMRXUWDBTLH-OQLLNIDSSA-N	402.347	4.543	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	776616695	QWSYZHLETSLRNX-CBIIRDDDSA-N	407.473	4.729	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cn(-c2ccccc2)nc1-c1ccccc1	777465652	URSBEXKPBUZPAX-UHFFFAOYSA-N	405.461	4.844	50	20	HJGD	
O=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)NN(c1ccccc1)c1ccccc1	782820406	AUAXWWXYXOYYTA-UHFFFAOYSA-N	412.449	4.513	50	20	HJGD	
CCOc1cc(/C=C(\C#N)S(=O)(=O)CC)ccc1OCc1c(F)cccc1Cl	786043011	PMGNINFFMYMWEI-XNTDXEJSSA-N	423.893	4.756	50	20	HJGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)C(=O)Nc1ccccc1Br	788100247	WJBJQOBIVFCTHX-DHZHZOJOSA-N	400.257	4.711	50	20	HJGD	
N#C/C(=C\c1cc(Br)c(Cl)s1)C(=O)c1cccc2c1OCCO2	790101202	WRYOXBFJDARFIK-RMKNXTFCSA-N	410.676	4.725	50	20	HJGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNc1ccc(Br)cc1F	793706570	NDEVBJGJUAOSGI-UHFFFAOYSA-N	404.239	4.617	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	798531198	NWJSWMDWJYQVFK-MQMHXKEQSA-N	412.704	4.537	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(F)c(C(F)(F)F)cc1F	804564960	VBVMFQAKHTYPFP-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
CCCN(NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1)C(=O)OC(C)(C)C	804595539	CJKITCFSUAXSAZ-UHFFFAOYSA-N	407.511	4.634	50	20	HJGD	
C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	805110646	CCLLFWLZNNOVEQ-SWLSCSKDSA-N	420.469	4.591	50	20	HJGD	
O=S(=O)(N[C@H](C1CC1)C(F)(F)F)c1cccc(S(F)(F)(F)(F)F)c1	808328027	JCIIVRYHBCQBLE-SNVBAGLBSA-N	405.332	4.963	50	20	HJGD	
O=C(NC[C@@H]1COc2ccccc21)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	808965925	NPKWUXFLNLXOGY-LLVKDONJSA-N	422.375	4.575	50	20	HJGD	
COc1cc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])cc1OC	810251707	ZOGNBJGFUNRLDA-KMKOMSMNSA-N	413.739	4.743	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(OCCCCl)cc2)c1C	811686231	RKQWUJFFPXWCIZ-ATVHPVEESA-N	414.889	4.606	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)sc2ccc(C#N)cc12	815855007	AOGMGUWJFVYXEC-UHFFFAOYSA-N	405.401	4.779	50	20	HJGD	
CC[S@@](=O)c1ccccc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016514	YRUPWPDLFYDOON-MUUNZHRXSA-N	424.366	4.609	50	20	HJGD	
CCc1nocc1CN(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C	818555359	AWZONGJKQFNMDT-UDWIEESQSA-N	402.498	4.519	50	20	HJGD	
CCc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	855283004	RFIJMRBMCJFSFA-PPRFWAEMSA-N	421.541	4.801	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(C(=O)NCC(F)(F)F)cc1	913500054	HNLCQRJPMWCKSP-AWEZNQCLSA-N	406.495	4.631	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@H](CC(C)C)c1ccccc1	914599117	QDOIKURUGXAISS-LJQANCHMSA-N	422.554	4.850	50	20	HJGD	
CC[C@H](C)C(=O)NN=Cc1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl	915974050	IJJSUGJHVJDRPV-JTQLQIEISA-N	401.725	4.696	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)n2)c1	916128874	HEMSTORMNMEJQF-NVNXTCNLSA-N	420.450	4.586	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1occc1CSc1ccccc1	917195577	QTYUBWOWRVUJQD-UHFFFAOYSA-N	416.502	4.729	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C3CCN(C(C)C)CC3)c2C)c1	1251443963	QJOBKMQMTHAQRQ-KQWNVCNZSA-N	418.585	4.641	50	20	HJGD	
O=C(CCc1ccc(F)c(F)c1)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1785990281	ITYPRECJZKTUQC-LJQANCHMSA-N	424.850	4.566	50	20	HJGD	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Br)cc2)CCC1	1791431730	FAVUCJHQERSKFF-OAHLLOKOSA-N	419.363	4.672	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)n3cccc3)cc2)CCC1	1791783920	BEHBDTAIOXRDHJ-APWZRJJASA-N	401.938	4.591	50	20	HJGD	
Cc1cccc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824014218	JITYZBCBMZNIIB-HXUWFJFHSA-N	419.009	4.802	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC	6209525	XXZMXSQVFYOTCA-OQLLNIDSSA-N	415.287	4.711	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	6242649	XVKCPQHXNVWAIR-NTCAYCPXSA-N	417.490	4.531	50	20	HJGD	
COc1ccc(-c2noc(CCC(=O)NN(c3ccccc3)c3ccccc3)n2)cc1	11328339	CQHLLJFKHYLHBV-UHFFFAOYSA-N	414.465	4.547	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccccc1	71794411	SKUPGUHRRHYPKA-UHFFFAOYSA-N	400.413	4.507	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)[C@H](C)CC)ccc1OCC(=O)Nc1ccccc1	726429255	HMMVFYHPHVQQRZ-MCRQTXEHSA-N	406.482	4.625	50	20	HJGD	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792082	IKRANRLEKJNNHH-QMMMGPOBSA-N	422.095	4.529	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl	727799825	UIIFTVQHIMWTOV-NEPJUHHUSA-N	418.107	4.865	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1C	729235948	GIZUWVDNOYWLHO-IAFWPLRWSA-N	407.514	4.609	50	20	HJGD	
N#C/C(C(=O)CSc1nnc(-c2ccccc2)s1)=C1\Nc2ccccc2S1	729940851	WCUSEBWGNOEBER-AQTBWJFISA-N	408.533	4.819	50	20	HJGD	
CN(C(=O)CCCC[C@H]1CCSS1)[C@@H]1CCN(c2ccccc2Cl)C1=O	732120171	ODNGZOYSHRUXDR-WMLDXEAASA-N	413.008	4.618	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1ccc(OCC2CCCCC2)cc1	732836512	NKFCEPXPHHVUCC-UHFFFAOYSA-N	404.308	4.560	50	20	HJGD	
CN(C)Cc1ccc(-c2ccccc2CNC(=O)NNc2c(F)cccc2F)cc1	735755973	KQLVAACULBHDNB-UHFFFAOYSA-N	410.468	4.520	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)c3nc(C)c(C)s3)cc2OC)o1	741474562	QMNLDTUQBXAFKC-SXGWCWSVSA-N	424.478	4.791	50	20	HJGD	
Cc1cccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1[N+](=O)[O-]	742006763	XPNZRHQIHSIEAX-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
C[C@@H](C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(F)c1	743300972	NSSXNELDFKTPQH-SECBINFHSA-N	419.831	4.619	50	20	HJGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1	743632521	HMPNDMFZYMIEOO-UHFFFAOYSA-N	410.301	4.662	50	20	HJGD	
CCC(CC)[C@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1	745524769	JAZPIQGUHSLUKR-SFHVURJKSA-N	420.460	4.801	50	20	HJGD	
COc1cc(C(C)=O)ccc1OCCCC(=O)NNc1ccc(Cl)cc1Cl	748019160	YHSFAAOBIIFERZ-UHFFFAOYSA-N	411.285	4.507	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2cccc(Br)c2)cc1	748019651	JWFJRDDABJPOAO-UHFFFAOYSA-N	416.344	4.875	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cnn(-c2cccc(Cl)c2)c1C	748730424	NLMLVASDGWXGCT-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
Cc1cccc([C@H](NC(=O)NNC(=O)c2cc(C)nc3ccccc23)C(C)(C)C)c1	749617537	ZDCTVYWXTROGEL-NRFANRHFSA-N	404.514	4.583	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(F)(F)F	750897651	ZTLQXGLXPVARRO-CXUHLZMHSA-N	404.388	4.799	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C)n1CC(C)C	754635600	MRRCDUCKXMDDDQ-OIACPEBLSA-N	423.532	4.844	50	20	HJGD	
C/C(=C\C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccccc1OC(F)F	761600516	XXXBEHCAEQBWMS-ZHACJKMWSA-N	402.319	4.733	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1cnn(CC2CC2)c1	762676052	YNZZAEUCRXMMHZ-UHFFFAOYSA-N	410.368	4.528	50	20	HJGD	
C[C@@H]([C@@H](C)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCOCC1	762965192	DXJJUYUGFWWULA-NEPJUHHUSA-N	403.417	4.575	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)c1	767271040	PSZKDFDGYNCBPP-NTUHNPAUSA-N	402.328	4.506	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	768693404	UWLHDTHXZNGHGB-GOSISDBHSA-N	419.378	4.617	50	20	HJGD	
O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)NNc1c(F)cccc1Cl	771674077	LAWDPRCCHDLPGU-HXUWFJFHSA-N	414.864	4.625	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc2c(s1)-c1ccccc1OC2	771691457	VHOQYSZHFARKOG-UHFFFAOYSA-N	419.275	4.966	50	20	HJGD	
CCCC(O)(CCC)CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773316278	ZKZWHGSWOPDHDQ-UHFFFAOYSA-N	418.428	4.730	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	774122911	ZLTCOVXIEDMNGR-UVTDQMKNSA-N	423.321	4.641	50	20	HJGD	
CCc1c(C(=O)NNc2ncc(Cl)cc2Cl)cnn1-c1ccc(Cl)cc1	775273765	QNFRHVAKLSIJAJ-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccccc1CSC1=NCCS1	777478264	SWZDBQPTBAQISS-UHFFFAOYSA-N	408.552	4.636	50	20	HJGD	
C[C@H](CC(C)(C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)O	777909676	BFOBJWSCZGOPGG-SECBINFHSA-N	411.414	4.512	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(Br)cc3Cl)c(C)cc2c1	778482702	FMSBHTGPKISENB-UHFFFAOYSA-N	420.694	4.725	50	20	HJGD	
Cc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2Br)oc2ccc(Cl)cc12	779146047	RHOOIHWQMAHYSA-UHFFFAOYSA-N	424.638	4.822	50	20	HJGD	
CC1(C)CC[C@@H](C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783465389	NUBXFSZXNCVHEU-SNVBAGLBSA-N	407.426	4.975	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)C(=O)NNc2ccc(Cl)c(F)c2)c1C	785178845	DABBHFZJRKDUAO-UHFFFAOYSA-N	421.900	4.575	50	20	HJGD	
CN(Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1)C(=O)OC(C)(C)C	785227207	CUTHIXDQHDSVBL-LDADJPATSA-N	409.461	4.738	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)ccc21	787326394	OGSKNROMVUFJJU-QGOAFFKASA-N	419.481	4.626	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1sc(-c2ccco2)nc1-c1ccccc1	791070505	MIDALMZJLZTMKD-UHFFFAOYSA-N	424.413	4.874	50	20	HJGD	
CCCOc1ccc(NC(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)cc1Cl	792435197	NFXGLQFAVTZXQM-UHFFFAOYSA-N	416.692	4.517	50	20	HJGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792548743	WOKVFVQANYNGRL-UHFFFAOYSA-N	407.368	4.824	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCCC[C@H]1C(F)F	800647441	ZSOOPCJDBWCUPD-NSHDSACASA-N	408.339	4.929	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cc2occc2s1	801502719	VGKYECAJTBGBEV-UHFFFAOYSA-N	416.094	4.776	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2Br)nn1)c1ccc2ccccc2n1	811686796	ALZUADYVZSMBCJ-PTNGSMBKSA-N	402.255	4.642	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cccc(COCc2ccco2)c1	813048830	LLGVTQNAYSNMSL-UHFFFAOYSA-N	421.497	4.510	50	20	HJGD	
COc1cccc(-c2noc([C@H](C)NC(=O)NNc3c(C)cccc3C(C)C)n2)c1	813089420	RVOXEJKHZDCWPS-HNNXBMFYSA-N	409.490	4.564	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3ccc(OC)cc3C(F)(F)F)cs2)cc1	816701627	CZJJVPXXBKTOAN-UHFFFAOYSA-N	423.416	4.603	50	20	HJGD	
CCOc1ccc(NNC(=O)c2csc(-c3cc(Br)cs3)n2)cc1	817889276	CMLDSIYJYQJEHP-UHFFFAOYSA-N	424.345	4.790	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1	818779601	DNGBTGHWZOLNTI-UHFFFAOYSA-N	413.865	4.545	50	20	HJGD	
CCCN(Cc1ccc(F)cc1)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	914505991	KEZYGKYPRDLALP-FPJJECCMSA-N	411.521	4.797	50	20	HJGD	
N#C/C(=C/c1c(F)cccc1Cl)c1nc(O)c2cc(Br)ccc2n1	914786639	LADNJLVDWYWWAY-TWGQIWQCSA-N	404.626	4.955	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(C)nn(Cc3ccccc3)c2C)c1	915905311	INPHBBJNRWBSPW-UHFFFAOYSA-N	418.541	4.509	50	20	HJGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1cccc(OCc2cn3ccccc3n2)c1	915939586	OUNSLQPACPHJSH-UHFFFAOYSA-N	423.476	4.549	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccccc3Cl)cc2)n1	916294905	JKJKVFRHKOGXRF-UHFFFAOYSA-N	410.930	4.803	50	20	HJGD	
CCCCn1nc(C(=O)NN=C(C)C23CC4CC(CC(C4)C2)C3)c2ccccc2c1=O	916324600	JPYBVTFMRSVKAN-UHFFFAOYSA-N	420.557	4.519	50	20	HJGD	
Cc1cc(OC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)ccc1[N+](=O)[O-]	917027766	HXMSAGBMGZNOIZ-UHFFFAOYSA-N	424.413	4.571	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Cl)nc(Cl)n2-c2ccccc2)cc1	920064992	PQYOVCAWMBMBMB-WJDWOHSUSA-N	418.305	4.826	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-n3cccc3)ccc2F)c1C	1318210231	OOFDEAHUMXUBLB-XNHPLOEXSA-N	420.488	4.788	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)on3)CCC2)cc1	1786444120	OVYPSRGSHWSXGL-QGZVFWFLSA-N	417.937	4.953	50	20	HJGD	
Cc1cc2[nH]c(C(=O)NC3(c4ccc(NC(=O)[C@H](F)Cl)cc4)CCC3)cc2s1	1788588895	NWPQWXUOUFVHIV-KRWDZBQOSA-N	419.909	4.820	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1	1799324789	LUJGZEZESYKNPB-JYYAWHABSA-N	423.340	4.746	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1824615547	DUUNXKSDRZRUCI-KUIZBPSLSA-N	409.014	4.760	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826366036	KAGPCDGHNOESPI-OAQYLSRUSA-N	419.009	4.504	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1	1830991005	PCIDJKNXWRHYQM-WOJBJXKFSA-N	416.949	4.684	50	20	HJGD	
Cc1nc2ccc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)cc2s1	7670259	ABYFTKDKQRJUNL-ACEGTKJHSA-N	420.538	4.748	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1OC	11333628	GUEWLYQENXXYPS-AWNIVKPZSA-N	406.663	4.910	50	20	HJGD	
Cc1ccc(-c2ncc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)s2)c(C)c1	727791738	SURLGBNNHUDWDK-UHFFFAOYSA-N	420.321	4.809	50	20	HJGD	
CCCCC[C@H](NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1)c1ccccc1	728133844	JDIZSTOYKISZFL-FQEVSTJZSA-N	419.529	4.651	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3ccc4c(c3)OCO4)n2)c(C)c1	728438520	YPWMYWFQNWYOED-PXNMLYILSA-N	403.463	4.701	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2coc(-c3ccc(F)c(F)c3)n2)cc1	728616651	CDTVDOLORNCMKF-SXGWCWSVSA-N	410.376	4.669	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2cccc(OC(C)C)c2)c(C)n1C[C@H]1CCCO1	730930839	JGSCATAHXZBLQY-MTCPJELPSA-N	408.498	4.584	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)s1	734067878	AIEQYBSVDVHSOV-LLVKDONJSA-N	406.722	4.804	50	20	HJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccc(Br)c(C)c3)o2)cc1	734254894	NNMFSYKGZYHHIZ-UHFFFAOYSA-N	414.303	4.797	50	20	HJGD	
O=P(CCN1CCSC[C@H]1c1ccccc1)(c1ccccc1)c1ccccc1	734487695	JNWRVPOIDRGOEJ-DEOSSOPVSA-N	407.519	4.791	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCc3cccc(F)c3[C@H]2C)c1C	737698635	DCCLPFIGJVBNOG-QVQQZCKUSA-N	409.505	4.504	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	737768557	WRLPYMKJPLMPQX-JTQLQIEISA-N	419.230	4.967	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2cccc(C(F)(F)F)n2)cc1C	740136686	XYIXJQVQLMRMPB-UHFFFAOYSA-N	413.399	4.705	50	20	HJGD	
COc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1OC	742004923	HAMHOZYMLFFLDZ-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
Cc1cc(C(=O)NNc2oc(C(C)C)nc2C#N)c(C)n1-c1cccc(C(C)C)c1	746521212	AFVZOAITDSYPIU-UHFFFAOYSA-N	405.502	4.958	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2F)ccc1NC(=O)CC(C)C	748192161	XJAXPBQZVIQVNW-UHFFFAOYSA-N	422.298	4.638	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1	748416382	PWHOHNRNEZKDSO-UHFFFAOYSA-N	400.482	4.595	50	20	HJGD	
CCc1nc(C(=O)NNc2ccc(Cl)cc2)nn1-c1c(Cl)cccc1Cl	749276287	QMBGLNWSYFDEKB-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
C[C@@H](CCNC(=O)NNC(=O)c1cc2ccccc2o1)c1cccc(C(F)(F)F)c1	749580783	UXRQUEMYLKTFPD-ZDUSSCGKSA-N	419.403	4.589	50	20	HJGD	
CCC1(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CCC1	752498288	PVNZLPAARPHCSJ-AQTBWJFISA-N	421.932	4.721	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl	753392016	YFIFIYMABMEHNV-GOSISDBHSA-N	406.313	4.603	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1F)c1nc(O)c2cc(Br)ccc2n1	753682105	ANEMQQQUVXQHDH-YHYXMXQVSA-N	404.626	4.955	50	20	HJGD	
Cc1sc([C@H](C)NC(=O)NNc2ccc(F)cn2)nc1-c1ccc(Cl)cc1	755319683	IYZYZAYMUJDKBL-JTQLQIEISA-N	405.886	4.693	50	20	HJGD	
Cc1ccc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1	755340618	URQTZGIKLJKRIH-UHFFFAOYSA-N	422.259	4.952	50	20	HJGD	
CC1(C)Cc2cc(C(=O)NNc3nc(O)c4ccccc4n3)sc2-c2ccccc21	758308130	VVVIATVQNQKTLK-UHFFFAOYSA-N	416.506	4.655	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc2sc(Nc3ccccc3)nc2s1	768512559	MKEDCSSAKPLQDG-UHFFFAOYSA-N	406.496	4.735	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(OCc2ccccn2)c(F)c1	770062370	WTSIWEIQEVSQIO-UHFFFAOYSA-N	420.366	4.967	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNc3ccc(Br)c(F)c3)c2)n1	771681185	HJKDLDOQBVDMAO-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
Cc1cc(C[C@H](C)NC(=O)CCCC[C@H]2CCSS2)n(-c2ccccc2)n1	773089948	KAZGIQDUIXXDBU-JXFKEZNVSA-N	403.617	4.942	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1cccc(-c2cccs2)c1	773696870	JRLDTFWEJMRQEK-UHFFFAOYSA-N	406.294	4.804	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(N3CCC[C@@H]3C(C)C)c(F)c2)cc(C#N)n1C	777836270	KIDCPKLUMBQMMF-JRWCFKBVSA-N	419.504	4.515	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1c[nH]nc1-c1cc2ccccc2o1	780965156	WQPQBLLPJBNNGQ-UHFFFAOYSA-N	404.323	4.738	50	20	HJGD	
COc1cc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)ccc1O	782982655	YIHNYZBTZVFFSH-UHFFFAOYSA-N	419.393	4.537	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1cccc(C(F)F)c1Cl	783369187	GDTWIEXPBMVKEC-UHFFFAOYSA-N	408.619	4.666	50	20	HJGD	
CC(C)(C)[C@H](CC(=O)O)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790616560	MUPTWRWEFGQSQT-NSHDSACASA-N	411.414	4.512	50	20	HJGD	
COCCN(C)c1ccc(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)cn1	790976049	AILVSXFRMJUILE-QGZVFWFLSA-N	419.900	4.996	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(O)c3ccccc3n2)c1C	801074932	GEOYVTDVFMQLCO-MCRQTXEHSA-N	418.497	4.765	50	20	HJGD	
O=C(NN=Cc1cc(F)ncc1F)c1ccc(COc2ccc3ccccc3c2)cc1	807946814	VAWDMAMKQBTRJF-UHFFFAOYSA-N	417.415	4.856	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)n1	857541524	VPZYHMWKLCUGDL-UHFFFAOYSA-N	419.819	4.540	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccccc2F)c(C)n1C[C@H]1CCCO1	914481682	TUDCWQRLQSXOHQ-GYHOXUORSA-N	409.505	4.550	50	20	HJGD	
O=C(NN=Cc1cccc(F)c1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	916287557	NFUIVLUITNGXSZ-UHFFFAOYSA-N	404.470	4.758	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc2cc(Br)ccc2o1	917215841	HOYBDURMJGCQRN-UHFFFAOYSA-N	410.611	4.514	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)c(C)n1-c1ccccc1Br	918013955	BAXGPUTUDLBJEZ-UHFFFAOYSA-N	402.267	4.753	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCCc2ccc(Cl)c(Cl)c2)c1	918689195	QRFIBFQCOSKXGI-UHFFFAOYSA-N	410.370	4.951	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2Cl)c1C	1341244277	QFLYTHQEQGECGJ-MHWRWJLKSA-N	406.313	4.912	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1	1790492026	QVKOZDKHJSJXCF-SFHVURJKSA-N	411.354	4.732	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1	1815322432	NBTYEJGMJRSCKJ-BCDMZGRMSA-N	420.985	4.636	50	20	HJGD	
Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c1	1824014344	LKWWORUPHVTBOC-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(CSC(F)F)o2)c1C	7167886	QAYSFOPVEQUORZ-KPKJPENVSA-N	408.426	4.647	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cc(C)n(Cc2ccco2)c1C	7208137	HPHHRDMKKNHGFR-YBFXNURJSA-N	419.481	4.658	50	20	HJGD	
O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccc(Cl)cc1	9790750	VMSRPEXVEFXGEC-UHFFFAOYSA-N	423.243	4.566	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2F)cc(Br)c1OC	11333804	VWAVPBGBAAXHFX-MDWZMJQESA-N	404.235	4.785	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1	17700558	PFHDWTWDEZDXIR-LICLKQGHSA-N	404.378	4.565	50	20	HJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)s2)cc1	63845598	VACLMIGPYIQJOG-RGEXLXHISA-N	415.518	4.971	50	20	HJGD	
CN1CCC2(CC1)C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1O2	302716775	CIPHKBYCTSOVIV-IEBWSBKVSA-N	420.644	4.805	50	20	HJGD	
COCCn1c(C)c(C)c2cc(C(=O)NNc3ccccc3C(F)(F)F)ccc21	728514683	KOPLYCQUNPOULQ-UHFFFAOYSA-N	405.420	4.680	50	20	HJGD	
CCCc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)cnn1Cc1ccccc1	729515160	VYPKWWVMHHEYSQ-UHFFFAOYSA-N	419.916	4.842	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2noc3c2CCCC3)c(C)n1-c1ccccc1F	731233913	SJMLLLYRJOKVLQ-PDGQHHTCSA-N	419.456	4.750	50	20	HJGD	
C[C@H](CC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)C1CCCCC1	734259848	VDWKYQXAJPAENZ-CYBMUJFWSA-N	407.440	4.607	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccccc1C(=O)c1ccc(Cl)cc1	734553354	MAHZMUGJISQBFG-UHFFFAOYSA-N	404.775	4.745	50	20	HJGD	
C[C@H](C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccsc1	738507799	WQLLLHKAAPRXTE-QMMMGPOBSA-N	407.870	4.542	50	20	HJGD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)Oc1ccc([N+](=O)[O-])cc1Br	740561704	ISPDGIWVDXTEPZ-UHFFFAOYSA-N	409.623	4.640	50	20	HJGD	
CCC[C@@H](CC)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	743837734	MSKPCLNWCHEEQJ-MBGNVJMVSA-N	409.921	4.719	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)c1C	747589601	YPZBPMVNNGXEPH-QFXXMJIKSA-N	421.541	4.803	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)C(C)C)c(C)n1C[C@@H]1CCCO1	747696795	AMJWZSPLKJXQML-JLIGMNHTSA-N	405.542	4.704	50	20	HJGD	
O=C(CSCc1coc(-c2ccccc2)n1)NNc1cccc(C(F)(F)F)c1	747995985	UXMGHKCDYITOMI-UHFFFAOYSA-N	407.417	4.737	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1F	754142231	CCKPLIKDNSUCOE-UHFFFAOYSA-N	415.362	4.725	50	20	HJGD	
Cc1sc([C@H](C)NC(=O)NNc2cncc(Cl)n2)nc1-c1ccc(Cl)cc1	756214083	DUOIKAQURGJVKW-VIFPVBQESA-N	423.329	4.603	50	20	HJGD	
Cc1cc(C(=O)NNc2c(F)cc(F)cc2Br)ccc1Br	757030795	OIAPFIZFRASPPC-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)c(F)c2)cc1	757920933	TZPHWHUEZDHZQK-NTEUORMPSA-N	408.351	4.711	50	20	HJGD	
COc1ccccc1OCc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)o1	761599501	ISTPYBAFXDBMEL-UHFFFAOYSA-N	422.359	4.523	50	20	HJGD	
CCO[C@H]1CCCC1=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	766430595	MGIAWVPRWNRCSP-FQEVSTJZSA-N	408.527	4.530	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccccc1OCc1ccc(Cl)cc1	766676175	HWQASCZRGCNTRZ-UHFFFAOYSA-N	410.886	4.681	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(CC(=O)NNc2c(Cl)cc(F)cc2Cl)CC1	768006821	CPDOKDVIEFXOLJ-UHFFFAOYSA-N	420.312	4.613	50	20	HJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(N4CCN(C)CC4)cc3)n2)cc1	771521177	RFBJEFMPXLVHKQ-RCCKNPSSSA-N	400.551	4.935	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1nnc(SCc2ccccc2)s1	775446533	YNSORWRUWLFKBB-UHFFFAOYSA-N	408.512	4.527	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1cccc(OCc2cscn2)c1	775586206	LKYHTQRFQQFPST-UHFFFAOYSA-N	408.405	4.890	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1ccccc1C(=O)c1ccc(Cl)cc1	777465660	VJEJPLZBSUHRQI-UHFFFAOYSA-N	401.853	4.876	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)NNc3cc(F)c(F)cc3F)cccc21	779018698	SCQGPVVBMGNOHX-UHFFFAOYSA-N	421.419	4.549	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2OC(C)C)c1C	779458515	IPGKLHVSGQGNRU-JJLFXSABSA-N	413.493	4.784	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1	780802027	BVLRRYZYRDGPMH-QGZVFWFLSA-N	403.935	4.584	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	781092331	UPGJJLGCLXBDBS-IQGLISFBSA-N	422.388	4.884	50	20	HJGD	
CC(C)c1ccc(Sc2ccc(NC(=O)C(=O)NNc3ccnc(F)c3)cc2)cc1	784846996	LMVMOPZVEPVVJA-UHFFFAOYSA-N	424.501	4.577	50	20	HJGD	
COC[C@H](OC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C)c1nccs1	785548331	YOFSLMRLAVTGLK-YWFITGJYSA-N	413.543	4.905	50	20	HJGD	
Cc1nc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)sc1Cc1ccc(F)cc1F	787588390	XSSKKBWUQJZOAY-NVNXTCNLSA-N	411.433	4.572	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1	793029849	SJJOAOIJRMFDQE-UHFFFAOYSA-N	416.868	4.637	50	20	HJGD	
N#C/C(=C\c1c(F)cccc1Br)S(=O)(=O)c1ccc(Cl)cc1	794935488	ZGRBIQGNSSYKDL-XYOKQWHBSA-N	400.656	4.580	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2c(OC(F)F)ccc3ccccc23)cc1	797304399	JIIVPVNCTQQCPY-JXAWBTAJSA-N	422.431	4.716	50	20	HJGD	
Cc1c(C(=O)NNc2cc([N+](=O)[O-])ccc2Br)sc2ccc(F)cc12	800618351	PLZVPEGSMLUDTD-UHFFFAOYSA-N	424.251	4.776	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cccc(OCc2cccc(Cl)c2)c1	803438698	AOTCFHMZOYKCFL-UHFFFAOYSA-N	419.868	4.517	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	805386942	OUKSPQMUHRMGHC-UHFFFAOYSA-N	402.410	4.633	50	20	HJGD	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)cc(OC)c1OCC(F)F	809158088	QBADFZYPLQBYDX-CHHVJCJISA-N	404.369	4.629	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)c(C)c1	815853536	PFXJCOVMRCXBFE-UHFFFAOYSA-N	412.921	4.766	50	20	HJGD	
CC(C)Oc1cncc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	817013891	IKISXRUECKBRIA-UHFFFAOYSA-N	407.314	4.663	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccc(F)cc2)C(C)C)c(C)n1C[C@H]1CCCO1	914502838	SJPGEHNNEADJCN-LYRGBEMXSA-N	423.532	4.767	50	20	HJGD	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	916129154	XKJBAVWWHZMNOM-WDZFZDKYSA-N	415.833	4.559	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccc(N2CCCCC2)s1	916295239	PHKVAIQTYMJJIY-UHFFFAOYSA-N	419.550	4.935	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)cnc2O)c(C)n1CCC(C)C	916391004	WKNZPJSCXYYNEM-PXNMLYILSA-N	420.435	4.816	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2COC(C)C)c(C)n1CC(C)C	918562795	QMWRPGRWKYBEMH-MSXFZWOLSA-N	407.558	4.909	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCC(C)(C)c2ccccc2)c1C	919935881	QXYAKWUDBMEEDP-QTCOBDOFSA-N	407.558	4.703	50	20	HJGD	
COc1ccc(CCC(=O)NN=Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)cc1	920380291	RPGZQUIEULCEAQ-UHFFFAOYSA-N	424.932	4.542	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3nc2Cl)cc1OCC	920991674	YQJKEGAVJGJFHB-RVDMUPIBSA-N	422.872	4.626	50	20	HJGD	
O=C(NCc1cccc(C(F)(F)F)c1)NN=Cc1csc(-c2ccc(F)cc2)n1	921259745	IHFSHTFWTLTJOH-UHFFFAOYSA-N	422.407	4.801	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)c1nc(O)c2cc(Br)ccc2n1	921265434	FXIPVLQXSHHXES-BJMVGYQFSA-N	404.626	4.955	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccnc3Cl)cc2)CCC1	1785751916	QEDWHZBIDQOQLS-QGZVFWFLSA-N	420.340	4.890	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)c2ccccc2)n[nH]1	1815554076	UOBQKZJFXVYHFA-VDZJLULYSA-N	420.916	4.520	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2C)CC1	1824612300	WZDPRKYWFNIRPB-QZTJIDSGSA-N	411.011	4.697	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(C(=O)O)cc1	23724270	IKUHISHNTSJBKO-NTEUORMPSA-N	409.854	4.707	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)NC(=O)CS3)c(C)n1CCC(C)C	26265120	ARGFRERWLRGXRA-VCHYOVAHSA-N	422.554	4.741	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)cc1	72057950	IRXSBPNWPONMNK-AUWJEWJLSA-N	401.249	4.866	50	20	HJGD	
O=C(CSc1nncs1)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	255431013	OUQYAXRORMNSRN-UHFFFAOYSA-N	422.457	4.716	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(Cl)c(C(F)(F)F)c2)o1	727257416	MLRRCHZZCRFZDV-UHFFFAOYSA-N	401.816	4.558	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1cccc(OCc2ccccc2C(=O)O)c1)c1ccccc1	731932004	WIEYOSZOELHZIG-QFIPXVFZSA-N	416.477	4.608	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ncccc2OCCCC#N)c(C)n1CCC(C)C	731992381	HRHIEZZWKOOKNG-RCCKNPSSSA-N	419.529	4.774	50	20	HJGD	
C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)NNC(=O)C3CCC3)c2C1	732140706	AQETUMLJAUJOOK-ARSNJYAISA-N	415.493	4.512	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	734248569	PAOYPVLRESBOCT-UHFFFAOYSA-N	405.439	4.705	50	20	HJGD	
O=C(NNc1cccnn1)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1	737048195	ALOBPYQFNFVHET-QGZVFWFLSA-N	420.275	4.533	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)c(C)n1[C@H](C)c1ccccc1	740140367	ZLZKHHWXJRPQOO-CQSZACIVSA-N	402.420	4.885	50	20	HJGD	
CC(CCc1ccccc1[N+](=O)[O-])=NNC(=O)c1sc(-c2ccccc2)nc1C	741454631	FGLZXYRVTYNPPD-UHFFFAOYSA-N	408.483	4.765	50	20	HJGD	
CN(C)c1nc(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cs1	746808262	WHTCKQYCELERCV-GFCCVEGCSA-N	424.901	4.750	50	20	HJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3ccccc3Br)c(C)c2c1	748070813	WKQZASCQYCSWEL-UHFFFAOYSA-N	415.287	4.782	50	20	HJGD	
Cc1cccn2cc(COc3ccc(C(=O)NNc4cccc5cnccc45)cc3)nc12	748769591	HZIAXRFVGBGVTC-UHFFFAOYSA-N	423.476	4.527	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cccnc1SCc1ccc(F)cc1	748810458	AGGYNXZLJZMOLH-UHFFFAOYSA-N	407.392	4.687	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)NCc1ccc(C2CCC2)cc1	755225194	CKKHELBXMOXPFB-UHFFFAOYSA-N	420.538	4.530	50	20	HJGD	
C[C@H](CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1nccs1	758625981	PGMUQKSAVJFEOR-SECBINFHSA-N	408.439	4.883	50	20	HJGD	
Cc1c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cnn1CC(C)C	767036457	BNBXGXALKGDUCS-UHFFFAOYSA-N	420.138	4.674	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ncoc1-c1ccc(F)cc1	771432700	ZTDGTYRXAPHEFK-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NNc1ccc(OCC(F)(F)F)cc1	772818699	XJKPAHPJTKMDSZ-OAHLLOKOSA-N	423.218	4.501	50	20	HJGD	
CC(C)c1ccc(NC(=O)C(=O)NNc2ncc(Cl)cc2Cl)c(C(C)C)c1	773673345	NTTXGPFIXHPEHI-UHFFFAOYSA-N	409.317	4.717	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)NNc3ccc4ccccc4n3)cccc21	775666626	MDKATAPPJRBTLF-UHFFFAOYSA-N	419.485	4.681	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)cc(C#N)n1C	779299421	FEMITHJNCZVQHM-LWRBDHNKSA-N	406.489	4.583	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccccc1NC(=O)Cc1cccs1	781085016	INAJSVXPIXGZKQ-INIZCTEOSA-N	409.349	4.677	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2csc(-c3cccc(OC)c3)n2)cc1	787153477	DXHFYXUVMCCECP-CLXYIWAZSA-N	419.506	4.612	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1	787309586	JQARGDLMRQZKEU-UKTHLTGXSA-N	413.405	4.663	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(F)c3F)o2)cc1OC	790101933	VEXIWAZZWUBRCF-JLHYYAGUSA-N	410.376	4.788	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1C	790138085	KANFBWBOYQBJLC-SKCQWOFPSA-N	419.447	4.555	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1ccc(C(F)F)cc1	801500987	GQTNHAJNQWGZJL-UHFFFAOYSA-N	420.051	4.906	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cccc3cccc(Br)c23)cc1Cl	803103661	WTMRYOMTGWQNDQ-UHFFFAOYSA-N	400.663	4.884	50	20	HJGD	
CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	805301595	QRWQCDLOFXZRSF-IAGOWNOFSA-N	416.653	4.996	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1	805380806	IJGRMFCLUXPCDV-UHFFFAOYSA-N	414.421	4.982	50	20	HJGD	
N#CCCCCCC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	806345728	JWAYAWAWKOAOJX-UHFFFAOYSA-N	420.900	4.790	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H]1c2ccccc2CC12CCOCC2	812561479	OVSKOBPYLRLMBL-SFHVURJKSA-N	423.410	4.565	50	20	HJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=C3CCC(c4ccc(O)cc4)CC3)sc2n1	814776868	KHQJCDSHTDRCFK-UHFFFAOYSA-N	408.527	4.645	50	20	HJGD	
C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	844131248	LRTCMBCUFYVPEV-PCGWCVDLSA-N	424.482	4.878	50	20	HJGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1OCc1ccccc1	884208623	GLEWMTRMONOBFX-UCQKPKSFSA-N	419.502	4.754	50	20	HJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	917622187	OLKWZUGQRWCALI-VZUCSPMQSA-N	420.321	4.578	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1	917912214	VLVMZCXFJZKHCG-SFHVURJKSA-N	402.947	4.518	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCC(C)(C)c2ccccc2)c(C)n1C[C@H]1CCCO1	919934795	GJJMAHRJWUXANP-FVIVVMBBSA-N	419.569	4.675	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1C	920231031	FGPCUXNTDMTPPU-XQPFJSBDSA-N	405.542	4.706	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C(=O)O)c1)c1nc(N)c2ccccc2n1	1318432482	RNZNSIWFHZXWRQ-LDADJPATSA-N	422.444	4.553	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)nn1	1318639115	DONNEPLJAIXURD-HXUWFJFHSA-N	410.518	4.890	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cccc2ncsc12	1789343939	UHDUYQIQMWGXIM-KRWDZBQOSA-N	417.893	4.578	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(C)n3)CCC2)cc1	1790484978	ZNFZNFSQVFDTBS-SJFMBGHLSA-N	411.933	4.555	50	20	HJGD	
Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)c1	1790660319	XKCWURIHXDJDOT-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
Cc1cc(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)c1	1792111544	HCVIJBHDZHGINZ-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cs2)CC1	1824672418	KJPAVCFPUQFHQY-QZTJIDSGSA-N	411.011	4.697	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1	1824854389	BGSDEUODRZHYMR-UXHICEINSA-N	422.972	4.582	50	20	HJGD	
CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)cc1	1831598750	XRQJZRQIDGUDGV-IRLDBZIGSA-N	422.972	4.507	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	7907826	VZPDSEPBXJLMOW-LZYBPNLTSA-N	404.278	4.517	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc3ccccc3n2C(F)F)c1C	14902755	WRUHUUTWHWFXRV-GZTJUZNOSA-N	412.440	4.910	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1nnc2n1CCCCC2	209997050	YAKHTTSGTQYZPS-LGMDPLHJSA-N	417.900	4.974	50	20	HJGD	
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CCCC[C@H]1CCSS1	727393369	SQVXAYCGIICVSJ-KRWDZBQOSA-N	424.657	4.837	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(OC(F)F)cc1	727432289	CXAYJAXGRLEYRK-GZTJUZNOSA-N	411.408	4.512	50	20	HJGD	
COc1ccccc1CC(=O)NNC(=O)c1sc2cc(C(C)C)ccc2c1Cl	732636970	ZVNYWLXQIDDQSX-UHFFFAOYSA-N	416.930	4.690	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	732927167	ZMFQSYQVCWQBEI-KPKJPENVSA-N	412.314	4.861	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@](C)(O)c2ccccc2)c(C)n1C1CCCCC1	734017904	SQFYVNXQJFGMIF-IJKLPWTBSA-N	405.542	4.541	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc(OC(C)C)cc2)c(C)n1C[C@@H]1CCCO1	735253544	MJESNJZKVGBGMB-CEMPLAKHSA-N	408.498	4.584	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2nc(-c3ccccc3)no2)cc1F	735273617	YRPQKJLOPNTXAC-UHFFFAOYSA-N	406.392	4.747	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cccc(-n2nccc2-c2ccccc2)c1	740091671	PQYOXNVFACDVBR-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cc(C)c(C)cc1OC(F)F	742349593	HOEYKRXSYYMZDW-CXUHLZMHSA-N	416.424	4.816	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCCc2cc(C(C)=O)ccc2O)c1C	744570575	NYCHLVBQUGILEO-HYARGMPZSA-N	408.498	4.506	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1c(-c2ccccc2)nc2ccccn12	744755062	HEQOAUXMWVNTSU-UHFFFAOYSA-N	418.497	4.773	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)cc(C#N)n1C	745135796	ICQFSYCXIQJRDW-PLABSGNVSA-N	416.525	4.846	50	20	HJGD	
CC(C)(C)Oc1ccc(CNC(=O)NNc2cccc(C#N)c2)c(C(F)(F)F)c1	745914732	SCONHPFXVAICBL-UHFFFAOYSA-N	406.408	4.581	50	20	HJGD	
O=C(NNc1ccccc1F)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12	748056742	SDWBKRLTAQWNKX-UHFFFAOYSA-N	415.424	4.569	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(Br)ccc1Cl	748203733	KBPFGYSLKWKDSS-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1c(NNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cccc1[N+](=O)[O-]	748665409	BPDPHGCMSPTPBL-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
O=C(NNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1cccc2ccccc12	751284748	AUYRBNMRZFISMN-BXBLUCELSA-N	416.443	4.750	50	20	HJGD	
O=C(NCCCNC(=O)C1CCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752991605	YWTRYSXJNWVDIY-UHFFFAOYSA-N	401.401	4.772	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1Cl	753303667	NHLQWLKKBDIMCZ-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	754152538	OOQCOQYMFTVNSU-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc1	754306449	GNBHHZZDADUGGI-HKWRFOASSA-N	417.534	4.783	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C	754568629	NHEDDQVKHPMELN-VCOLLSTESA-N	423.532	4.988	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1cccc(Sc2ccccc2)c1	756475633	KFCQDRORLGMZHW-UHFFFAOYSA-N	414.490	4.853	50	20	HJGD	
C[C@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)c1c(Cl)cccc1Cl	756490492	VMCNOSHQYXIMMZ-LLVKDONJSA-N	423.325	4.854	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1	760134397	YZFKBCJLTNQGBK-UHFFFAOYSA-N	419.250	4.826	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2c(Cl)cccc2N2CCCC2)cc1OC	763353897	FEWLGCVKQDYQFD-UHFFFAOYSA-N	415.921	4.502	50	20	HJGD	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)cc(Cl)c1O	765613354	KQFNAEUPTUDKSN-WMZJFQQLSA-N	409.623	4.789	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	766261782	KBIGQSSOMZXCCU-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nnc(-c3ccccc3)s2)c1C	766681620	WTHRCQNVESPJHM-UNOMPAQXSA-N	406.511	4.684	50	20	HJGD	
Cn1ccnc1SCc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)o1	768007094	JSTPNPOTIPLJRC-UHFFFAOYSA-N	415.277	4.508	50	20	HJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNc3cc(C#N)cc(Cl)n3)cs2)cc1	769063063	KDPWDXGLMNBVIE-UHFFFAOYSA-N	411.918	4.539	50	20	HJGD	
CC(=O)c1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)nc1	777676453	BIICIHJGTAMMJA-UHFFFAOYSA-N	402.366	4.742	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Br)s2)s1	782751550	BTJHWXMXPHKCIL-UHFFFAOYSA-N	424.301	4.904	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccnc2-c2csc(C)c2)c1C	782922907	FYUNVXWJHWMNNB-XDHOZWIPSA-N	420.538	4.729	50	20	HJGD	
C[C@H](O)c1ccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	782978532	BESQOXDDLPGTJH-NSHDSACASA-N	417.421	4.876	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c(C2CCCCC2)n1	783687500	DCECGVXSHFFDOG-BOPFTXTBSA-N	418.526	4.532	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2c(F)cccc2OC(F)(F)F)cc1	789148483	PUXCFITXTFKEIQ-HLVNSREUSA-N	408.351	4.517	50	20	HJGD	
O=C(NNc1nc2ccccn2n1)c1oc2ccccc2c1CSc1cccs1	791255481	CZWFLJQNSAOZGZ-UHFFFAOYSA-N	421.507	4.586	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(/C#N)C(=O)c1ccc(F)c(Cl)c1	794704210	YEESQYQYEAVRHS-JYRVWZFOSA-N	401.228	4.812	50	20	HJGD	
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NNc3c(C)cccc3C(C)C)C2)c1	794953323	NBHXWSILHMCHLN-LJQANCHMSA-N	408.546	4.814	50	20	HJGD	
CC(C)(C(=O)NNc1cccc(C(F)(F)F)n1)c1csc(-c2cccs2)n1	800692634	XHBJRQINLHJVKZ-UHFFFAOYSA-N	412.462	4.706	50	20	HJGD	
CSc1ccc(C(=O)NNc2c(Br)cccc2Br)cc1	801501708	UTLOAQUAXZKYFK-UHFFFAOYSA-N	416.138	4.690	50	20	HJGD	
O=C(NN=C1CC[C@H]1C1CC1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	814704308	UOTXWAXGNPIDMZ-FQEVSTJZSA-N	409.489	4.906	50	20	HJGD	
CCn1c(CNC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)nc2ccccc21	818931055	ZNYMMBBKPGRNPY-STZFKDTASA-N	417.557	4.744	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ncc(-c3ccccc3)s2)c1C	914872264	KJNBQUHDAYPQDU-IWEBCOIVSA-N	420.538	4.982	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3c(F)cccc3F)cc2)cc1	915914518	QUUHSZZXMCOJGY-UHFFFAOYSA-N	410.420	4.706	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N(C)[C@@H](C)c3cccc(Cl)c3)cc2C1	918002428	JLBWDRKPOCQXRD-STQMWFEESA-N	405.951	4.574	50	20	HJGD	
CC[C@@H](C)c1ccc([C@H](NC(=O)NNC(=O)CC(F)(F)F)c2cccs2)cc1	918059769	MHOJYRLHQAAAMQ-PXAZEXFGSA-N	413.465	4.634	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)NNc2cccc(C#N)c2)ccc1OCc1ccccc1	918232911	WUIICQJQDGPSSM-QGZVFWFLSA-N	416.481	4.533	50	20	HJGD	
CCCC1CCC(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1	919864441	DTXVTTRFLSZMNI-PGMHBOJBSA-N	415.541	4.846	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3cscn3)c2C)cc1	920280862	WSCKTQWUJICCQA-ODLFYWEKSA-N	420.538	4.515	50	20	HJGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	921151446	ZDOJXLAUOURDJF-HWWQOWPSSA-N	411.873	4.819	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@H]2OCCC[C@@H]2C1	1253191122	VYVNZDKKZSEBRW-KYOSRNDESA-N	408.873	4.939	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(OCC#N)c2)c1C	1318450348	XSSKTGHDFKGNDV-HAHDFKILSA-N	424.504	4.528	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cnc3Cl)cc2)CCC1	1787568478	ZWHIUFJKESOSQW-KRWDZBQOSA-N	420.340	4.809	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1	1815324706	UXDPRYIDORUOGR-XPIZARPCSA-N	406.958	4.556	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	1831476122	JMTSJAQNPQJQNQ-KMKNWIINSA-N	423.041	4.840	50	20	HJGD	
COc1ccc(P(c2ccccc2)c2ccccc2)c(C2=N[C@@H](C(C)(C)C)CO2)c1	2382215163	IPNLLJRWDFJXHX-XMMPIXPASA-N	417.489	4.645	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2C)cc1	17473821	VYVGQJAXWDBICI-GHRIWEEISA-N	404.445	4.573	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	303622151	DJEOWBFGAODZMW-CABCVRRESA-N	416.559	4.697	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2C)c1C	729235949	GIZUWVDNOYWLHO-UOIFGXKSSA-N	407.514	4.609	50	20	HJGD	
COC(=O)C1CCC(NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	730131767	OSJADNDLAOMKJB-QKFMDRJYSA-N	424.872	4.759	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=Cc3ccccc3C(F)(F)F)s2)cc1	730557303	BCWXDZQQKRPDDR-UHFFFAOYSA-N	419.428	4.789	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](N3CCCCC3)C2)c(C)n1C1CCCCC1	730795196	VHROHUMYUBNMIE-FVIVVMBBSA-N	408.590	4.604	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)N(CC(F)(F)F)C1CC1	732715147	MMLRVGCMFXLVGI-PDGQHHTCSA-N	400.400	4.726	50	20	HJGD	
C[C@@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(C)(C)C	734696157	NNMYAPUNHKUYPB-ZUZCIYMTSA-N	410.889	4.643	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](N3CCCC3)CC2)c(C)n1CCC(C)C	737691190	INADSVOTFRMALR-ICBIFTLVSA-N	410.606	4.535	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ncccc3C(F)(F)F)c(F)c2)c(F)c1	740091355	LEOPTQWMOKKXLV-UHFFFAOYSA-N	423.341	4.811	50	20	HJGD	
CC(C)(C)c1noc(-c2ccccc2C(=O)NNc2ccc(OC(F)(F)F)cc2)n1	748496939	DNWPNTMEQXDNFB-UHFFFAOYSA-N	420.391	4.690	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NNc1ccccc1C(F)(F)F	748694057	OFDZHSQHBWIODA-UHFFFAOYSA-N	422.838	4.977	50	20	HJGD	
Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NNc1cc(F)c(F)cc1F	748797161	PFJIXKVUYYTENE-UHFFFAOYSA-N	423.778	4.668	50	20	HJGD	
Cc1cnc([C@@H](C)NC(=O)NNc2c(Cl)cc(Br)cc2Cl)s1	750662105	JZRNEABBTHCRPS-SSDOTTSWSA-N	424.151	4.908	50	20	HJGD	
CCOc1ccccc1[C@H](CC)NC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	751196978	FONRGPSCDUZIQJ-PREUJALNSA-N	423.557	4.886	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3nccn3C(C)C)c2C)cc1	752062472	BIASYCLSPUHWTP-DEDYPNTBSA-N	418.497	4.531	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3ccc(C#N)c(Cl)c3)s2)cc1	753318073	ZMJMWCAXSHAOEB-UHFFFAOYSA-N	412.902	4.799	50	20	HJGD	
Cn1ccnc1SCc1cccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1	754153438	IBEYXSQDHVCLFL-UHFFFAOYSA-N	424.423	4.627	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)F)c(F)c1)C(=O)Nc1ccccc1Br	754680823	SCVVZKBQJFXBDG-XFFZJAGNSA-N	411.177	4.735	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(N2CCC[C@@H]2C(C)C)c(F)c1	760423684	LCJKBNZVUSUFEW-GOSISDBHSA-N	406.933	4.755	50	20	HJGD	
CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NNc3cccc4c3CCCC4)cc2C1	769606486	VCMRBVNQGIVQSJ-UHFFFAOYSA-N	407.514	4.573	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)Nc1cccc(NC(=O)C2CC2)c1	769949031	YXQYEMUMIOCGEQ-UHFFFAOYSA-N	423.698	4.600	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1cccc(-c2noc(C3CC3)n2)c1	770067068	MPOCQVQWMUPJTD-UHFFFAOYSA-N	419.363	4.661	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1C(F)(F)F	771340496	FFBBNRFYLBLKHT-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2cccc3ccccc23)ccc1NC(=O)OC(C)(C)C	772148384	RJJUYQMPEIVXFD-UHFFFAOYSA-N	419.481	4.570	50	20	HJGD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NNc2ccccc2[N+](=O)[O-])cc1	772632178	XHOGRNYDBCBQRU-UHFFFAOYSA-N	404.430	4.833	50	20	HJGD	
CC[C@@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CCOCC1	773355622	QTCJBOFAYPDBAV-CQSZACIVSA-N	416.412	4.604	50	20	HJGD	
CC1(C)C[C@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C(C)(C)O1	773463351	CWVQXUIPNCRXPU-LBPRGKRZSA-N	416.412	4.745	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1Cl	774816806	VTQQZEMRYGUZNL-UHFFFAOYSA-N	411.594	4.740	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1ccc(C(F)(F)F)cn1	775257905	ZYBHXVFGDNQHNQ-UHFFFAOYSA-N	414.359	4.567	50	20	HJGD	
CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NNc1nc2ccccc2s1	782813525	XBISMRIDSXYLIQ-UHFFFAOYSA-N	420.947	4.532	50	20	HJGD	
Cc1cc(Br)c2oc(C(=O)NNc3nccc4sccc34)cc2c1	782854239	QFMYVCMOUQHBSI-UHFFFAOYSA-N	402.273	4.870	50	20	HJGD	
O=C(O)c1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	782906892	GEJDMSBBISNXTJ-UHFFFAOYSA-N	403.350	4.843	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1	787141754	POUBROXFTNMBRM-MJSCBBHESA-N	414.259	4.532	50	20	HJGD	
Cc1ccc(C(=O)CCC(=O)CCC(=O)NNc2cc(Cl)cc(Cl)c2)s1	791729644	NOSBPTVJKQVBDA-UHFFFAOYSA-N	413.326	4.819	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1nn(-c2ccccc2F)c2c1CCC2	791734697	PRBQVQGNMCYELB-UHFFFAOYSA-N	405.260	4.564	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)c(C)n1-c1ccc(OC(F)F)cc1	794885730	ZYLKIGORFRZNTD-CJMVGXJBSA-N	400.425	4.598	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1cc(C#N)cc(Cl)n1	797966435	KZPPYZOSLSPSNT-UHFFFAOYSA-N	422.659	4.634	50	20	HJGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1c(Cl)cccc1Cl	802045968	VNTHCGNWLBWBRI-VIFPVBQESA-N	418.227	4.551	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cnc2ccsc2c1	804210710	TXRVAVKPESODSD-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@H](C(=O)N2CCCC2)C1	806422292	QHKDTJZSYYGSSD-LBPRGKRZSA-N	413.412	4.820	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1csc(C)n1	812381146	VSNQUMODGOWCJJ-UHFFFAOYSA-N	421.551	4.774	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1C	844146804	QNZXHOYCLWIPLY-BGLXERQDSA-N	409.505	4.722	50	20	HJGD	
CCOc1cc(C(=O)NNc2cc(C)cc(C)c2)ccc1OCCOc1ccccc1	857493823	KNTDRJDDNVKKEO-UHFFFAOYSA-N	420.509	4.917	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)CC(C)C)c(C)n1C[C@H]1CCCO1	914516835	CSOFBTXBTRULOS-RVEICJNFSA-N	419.569	4.876	50	20	HJGD	
COc1cc(C=NNC(=O)Cc2c[nH]c3ccccc23)c(-c2ccccc2)cc1OC	915270278	DPOYNNNVDLDMNI-UHFFFAOYSA-N	413.477	4.545	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	915982500	GAPWIWYMQKEECS-XWAFYUISSA-N	406.436	4.552	50	20	HJGD	
C[C@@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)C(C#N)=C1Nc2ccccc2N1	915994481	LNFSFOFYWWMMEI-LLVKDONJSA-N	409.902	4.549	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	918685112	FTOVLUKDPFCTGV-BABFWUTDSA-N	420.353	4.582	50	20	HJGD	
COC(=O)N(C)c1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	919913402	SHSNPWFUQGTGMT-UHFFFAOYSA-N	404.470	4.633	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)COc1cccc(C(F)(F)F)c1	921254400	ZXUFNFPLMNUKDT-UHFFFAOYSA-N	421.202	4.550	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCCc3ccncc3)cc2)CCC1	1786908161	CCNNYNGDCALCRJ-HXUWFJFHSA-N	413.949	4.556	50	20	HJGD	
Cc1cc(Cl)ccc1C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788580328	NESQMDUZFBBHKO-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
Cc1cccc2sc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)nc12	7725115	RFUILDAOYLWQKJ-MVDPLZLPSA-N	420.538	4.748	50	20	HJGD	
COc1cc(CN(C)C(=O)CCCC[C@@H]2CCSS2)ccc1OC(F)F	726158758	GVOPGKBKNJJPFE-CQSZACIVSA-N	405.532	4.969	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)C(C)(C)c2ccccc2)c(C)n1C[C@@H]1CCCO1	728003314	SGJARYJEVIGXOF-JMJQRSFSSA-N	419.569	4.673	50	20	HJGD	
CN(C)C(=O)c1ccc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cc1	728178995	GSNJVGBXSOOUAL-QGZVFWFLSA-N	416.852	4.860	50	20	HJGD	
COCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	730464373	QRKZISGVWRAHPD-QINSGFPZSA-N	404.438	4.572	50	20	HJGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)ccn1	731561262	WUWOQHHWLNMRGE-UHFFFAOYSA-N	418.444	4.659	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)N(C)C1CCCCC1	732716516	STJPOXJHQPIVFR-SFQUDFHCSA-N	414.912	4.730	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)ccc1OCc1ccccc1	732716634	WUSFJHLMDGIHSO-RCCKNPSSSA-N	404.510	4.972	50	20	HJGD	
Cc1cc(C(=O)NNc2nccc3sccc23)c2cc(Br)ccc2n1	734250365	UBJVGUKKPPMYHV-UHFFFAOYSA-N	413.300	4.672	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cs1)C1CC1	734304109	DXCOGVFKEBKTCK-SDQBBNPISA-N	410.886	4.583	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Cl)cc2Cl)cnn1Cc1ccccc1	748012213	LLQAJQBGYIXJET-UHFFFAOYSA-N	403.313	4.948	50	20	HJGD	
COCc1c(C(=O)NNc2ccccc2Br)sc2cccc(F)c12	748070338	MXLFKMNKMINQMH-UHFFFAOYSA-N	409.280	4.706	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(n3c(C)ccc3C)CC2)c1C	751410436	IHNJWPUYWYJEEU-SPMKTWQFSA-N	422.573	4.501	50	20	HJGD	
CCc1nc(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cs1	755482008	WCFIEZMVAFQVOG-UHFFFAOYSA-N	421.551	4.638	50	20	HJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NN=Cc3cnc([C@H]4CCCO4)s3)cc2C1	755571507	CCQVDBAMPBZFDY-GDBMZVCRSA-N	417.600	4.971	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	760131004	IOBDZKLGHXWXKD-UHFFFAOYSA-N	409.408	4.962	50	20	HJGD	
N#C/C(=C\c1cncc(Br)c1)C(=O)Nc1ccc(SC(F)F)cc1	767340786	GTVFEJFLXYURNP-VZUCSPMQSA-N	410.243	4.704	50	20	HJGD	
Cc1ocnc1CNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc3ccccc23)c1C	770888529	ZFVIUFLVRNFUTF-CIAFOILYSA-N	410.477	4.767	50	20	HJGD	
CSc1cc(/C(C#N)=C\c2csc(COc3ccc(Cl)cc3)n2)ncn1	773177132	UAHTUBYNLOYUAL-SDQBBNPISA-N	400.916	4.952	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1nnc(-c2c(F)cccc2Cl)s1	775898908	ZNLRFOSZCKVLMU-UHFFFAOYSA-N	420.882	4.756	50	20	HJGD	
CCOc1ccc([C@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)C(C)C)cc1OCC	776617942	WBVMOINMAYPKHT-UOCRBVKVSA-N	408.498	4.610	50	20	HJGD	
O=C(O)c1cc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)ccc1F	777602648	SLNGTPXTJNAZBW-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1	785374567	DUJZDCXARZGHKL-BVTUPMQUSA-N	413.355	4.967	50	20	HJGD	
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NNc1cccc(F)c1[N+](=O)[O-]	790588178	CRWCYYICOBIEDB-QPJJXVBHSA-N	403.719	4.563	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)Nc1ccc(F)cc1	794689219	QZFWWDJGUPIDHG-NTEUORMPSA-N	400.335	4.576	50	20	HJGD	
Cc1c(C(=O)NNc2ncnc(Cl)c2C(C)C)oc2ccc(Br)cc12	798141901	IGVDOCZCGWROBH-UHFFFAOYSA-N	423.698	4.827	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc2cc(Br)ccc2o1	798143264	LLVJBSPENKTOTO-UHFFFAOYSA-N	409.671	4.519	50	20	HJGD	
C[C@H](C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C(F)(F)F)cc1	798964233	KMQFKWLHBQAFLQ-JTQLQIEISA-N	410.783	4.656	50	20	HJGD	
CC(C)(C(=O)NNc1ncccc1C(F)(F)F)c1csc(-c2cccs2)n1	800692669	YLBUGOZWCCCZRJ-UHFFFAOYSA-N	412.462	4.706	50	20	HJGD	
O=C(NNc1ccccc1Br)c1nc2ccccc2cc1Br	809730586	UFXYUDTXQJDYTP-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc(-c2ccccc2)c(C)n1	813047275	TZFMKESQINKSKD-UHFFFAOYSA-N	402.498	4.571	50	20	HJGD	
CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCCO1	815110792	NFBHOLWOSRJIPD-AWEZNQCLSA-N	409.442	4.780	50	20	HJGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1	857485661	FPYFARGJPAFYFV-UHFFFAOYSA-N	413.808	4.541	50	20	HJGD	
COc1cc(C)c([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1OC	915868967	IWBAYZGWRXKATO-NIQDBXHUSA-N	423.557	4.871	50	20	HJGD	
COc1ccc(C(C)=NNC(=O)Nc2ccccc2C)cc1CSc1ncccn1	915971223	JLTQFJDCJUAXTH-UHFFFAOYSA-N	421.526	4.632	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@@H](c1ccccc1)C(C)(C)C	916518289	PIASJJNEKXAFDM-IBGZPJMESA-N	422.554	4.850	50	20	HJGD	
CC(C)c1ccsc1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1	919679727	FGJVUEFFDHGMNZ-UHFFFAOYSA-N	412.486	4.664	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2csc(C(F)(F)F)n2)c(C)n1CC(C)C	1320914362	FAXCNUJRIHPNKX-UUASQNMZSA-N	411.449	4.887	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(C)c2)n[nH]1	1820543347	SOAFKDBTBAOVSJ-HKUYNNGSSA-N	416.953	4.740	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)CC1	1827613537	FVBWZSWSZCNNFM-VBSBHUPXSA-N	414.993	4.747	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(OC)c(O)c3)n2)cc1	6284491	PLIQKHXYZJMNOS-LICLKQGHSA-N	405.479	4.632	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc(C#N)c2)c1	44023613	YRXLAIQIYMPDGS-BKUYFWCQSA-N	409.445	4.692	50	20	HJGD	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1O	60217074	PHZHMZYWWAKVFS-DHDCSXOGSA-N	402.372	4.694	50	20	HJGD	
CCCn1c(NC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)nc2ccccc21	115345847	GXXJWTHUNPTTCG-IZQLPPHKSA-N	419.529	4.618	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OC(F)F	212111903	CCLRESCLRZEPAJ-WQLSENKSSA-N	412.314	4.861	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cccc3ccccc23)c1C	302891391	GHGFIGGVSOEAEN-CEZZIEKDSA-N	401.510	4.689	50	20	HJGD	
COc1ccc(C(=O)NN=C2CCCc3nc(-c4ccc(C)cc4)sc32)cc1OC	727651005	YANORUDBBSUREZ-UHFFFAOYSA-N	421.522	4.606	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)ccc2Cl)c1	732308889	HRHOELKUFOLQAF-UHFFFAOYSA-N	405.910	4.620	50	20	HJGD	
C[C@@H](CC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)C1CCCCC1	734259850	VDWKYQXAJPAENZ-ZDUSSCGKSA-N	407.440	4.607	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc4c(c3)NC(=O)CC4)c2C)c1	741723026	ZDZGGYABSWCUHD-FYJGNVAPSA-N	424.504	4.833	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ncc(C(C)(C)C)s2)c(C)n1C[C@H]1CCCO1	742807051	XBTMTHBLRSCJGB-WAFWZSCLSA-N	412.559	4.584	50	20	HJGD	
N#Cc1cccc(NC(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	743812247	SYWSFUYWHYSZRF-UHFFFAOYSA-N	400.063	4.776	50	20	HJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1	746342688	YXBRLIKVYQAMBG-WOJGMQOQSA-N	420.431	4.872	50	20	HJGD	
CCc1nc2ccccc2n1C1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	752737522	ZOVJZXSMHWHLDO-SDXDJHTJSA-N	402.473	4.508	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccc(F)cc2)c(C)n1C[C@@H]1CCCO1	758608840	YAVACMWSFURENI-AUZLAZJXSA-N	409.505	4.550	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2OCC#N)c(C)n1CCC(C)C	760785998	KFYMZCIDZLYOPC-XDHOZWIPSA-N	408.477	4.738	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	763019005	GBBGCAWJMKGJPK-UHFFFAOYSA-N	406.244	4.539	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)c1ccc(Cl)c2ccccc12	765918588	LVTBDPAZVHVXHG-ZDUSSCGKSA-N	407.857	4.945	50	20	HJGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3c(Cl)cc(F)cc3Cl)cc2F)n1	768011303	LZCBWZYNGDCBDD-UHFFFAOYSA-N	411.239	4.831	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cnc(-c2ccccc2F)s1	771679329	YSTBBCHZQRLXNR-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1nccnc1C(C)C	772874489	BOMMAPGBUBIVOL-UHFFFAOYSA-N	406.273	4.627	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCO2)C(=O)c1ccc(Cl)cc1F	773148194	CVKIDSZDWOGYBR-WZUFQYTHSA-N	422.637	4.803	50	20	HJGD	
Cc1nc(NC(=O)c2c(C)nn(CCCl)c2C)sc1Cc1c(F)cccc1F	773525480	QMJNKXUJNWGUQD-UHFFFAOYSA-N	424.904	4.625	50	20	HJGD	
COc1c(Br)cc(Cl)cc1NC(=O)NNc1c(F)cccc1F	775604733	SORALNJTSPMTGS-UHFFFAOYSA-N	406.614	4.538	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2Cl)nn1C1CCCCC1	776474755	PXVIPYHXWAQTLJ-UHFFFAOYSA-N	411.731	4.870	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H](c2ncc[nH]2)C1	777999078	JPYDBUOQLSFSIA-LLVKDONJSA-N	417.425	4.635	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)o1	780516005	PDOKUDKQWKZFBE-UHFFFAOYSA-N	420.347	4.585	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(C3CC3)no2)c(C)n1-c1ccccc1F	781868089	UVDQUDUSHIISEN-CLXYIWAZSA-N	420.444	4.705	50	20	HJGD	
CNC(=O)c1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782909685	CVKXOFLQZZNABO-UHFFFAOYSA-N	416.393	4.504	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)c(C)c1	783368280	LIAQSMVQOACYJA-UHFFFAOYSA-N	413.877	4.662	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	787051387	XGWQRSZBPQCZFY-OEHGHSTBSA-N	406.844	4.997	50	20	HJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	788263242	WSQGVHQGIASBRQ-UHFFFAOYSA-N	424.526	4.664	50	20	HJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)sc2c1	788687039	CTVAGRYRSIOVQI-KPKJPENVSA-N	413.886	4.821	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1	790496570	GNRGMZHCTOEWTI-UHFFFAOYSA-N	407.361	4.546	50	20	HJGD	
N#Cc1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)ccc1F	790567228	FXDPVPHOZMCTSY-UHFFFAOYSA-N	403.038	4.524	50	20	HJGD	
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	806183814	KTUCTJGAZNMSQR-XNRPHZJLSA-N	421.916	4.996	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc2ccccc2n1	916242892	MDPKALNURFXUOI-UHFFFAOYSA-N	423.501	4.913	50	20	HJGD	
Cc1nc2ccccn2c1C=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	916307047	OJHSOLWTLPFECH-UHFFFAOYSA-N	418.884	4.639	50	20	HJGD	
O=C(NNC(=O)c1occc1CSc1ccccc1)c1ccc2ccccc2c1	918111669	BXBGCAHTYZQRDC-UHFFFAOYSA-N	402.475	4.800	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCC(=O)O)cc3)n2)cc1	920067558	ILTVOALTBNHJSJ-SFQUDFHCSA-N	406.463	4.736	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2csc(COc3ccc(C)cc3)n2)n1	920387853	PSLLCJFGXVWCMK-ZSOIEALJSA-N	411.508	4.728	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(C(=O)OCC)cs3)o2)cc1	920388183	SXJPMERFMYUVQD-LFIBNONCSA-N	422.462	4.821	50	20	HJGD	
COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=NNC(=O)C(C)C)ccc2c1	920826273	BZNQZUDEZBAGJN-UHFFFAOYSA-N	412.493	4.807	50	20	HJGD	
O=C(NCc1ccccc1CO)Nc1ccccc1S[C@H](Cl)C(F)(F)F	921061032	KROWJMHMRNFKHR-HNNXBMFYSA-N	404.841	4.720	50	20	HJGD	
O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NNc1ccc([N+](=O)[O-])cc1	1253411795	OYRCQVRYRSLJEO-UHFFFAOYSA-N	423.281	4.711	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1ccccc1SCc1cccs1	1320252180	JMQQOUFYOFQCMQ-UHFFFAOYSA-N	420.357	4.955	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1	1325040783	VMGRXRXWYVRUMB-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)cc3)cc2)CCC1	1790303297	MZLUYLXOYSRQRA-IBGZPJMESA-N	400.906	4.547	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)C(=O)CC4)CCC2)cc1	1790489552	FITIMLSCFPTGQM-FQEVSTJZSA-N	424.928	4.581	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)CCl)[C@H]1c1cccnc1	1802901391	BTVRLSFGWUPNLK-DFQSSKMNSA-N	422.013	4.569	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1	1820860169	QYIIHTPEDPHYOZ-PKOBYXMFSA-N	414.937	4.610	50	20	HJGD	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)CSc1nc3ccccc3s1)C(O)=N2	8227528	WFYONLOLAOCQII-UHFFFAOYSA-N	410.524	4.634	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OC(=O)c1cccs1	57395683	WXTAXIQTZWXHBH-ATVHPVEESA-N	418.474	4.830	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1	107842985	KFEBEPJBYFJJJH-JAIQZWGSSA-N	413.429	4.793	50	20	HJGD	
CC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C	206852191	LTBUWYWRGOUUCB-CHHVJCJISA-N	424.806	4.806	50	20	HJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1	726427986	CELVDERRRRBKCE-SDLDRHLBSA-N	407.466	4.583	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)C(C)(C)c2ccccc2)c(C)n1C[C@H]1CCCO1	728003316	SGJARYJEVIGXOF-VORDPDGWSA-N	419.569	4.673	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)cc1	730223243	ZXALRPYGZBMVLJ-IQFISFIMSA-N	404.466	4.933	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2occc2C(=O)O)cc1)C(=O)c1c[nH]c2ccccc12	730952481	XEWVTYLWMZCRHV-WJDWOHSUSA-N	412.401	4.828	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCN(CC2CC2)C1	731107423	ANDJTAMHZNUJCH-DOMZBBRYSA-N	407.889	4.512	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc([S@@](C)=O)c2)c(C)n1C1CCCCC1	732123290	VTRASGRGRHYZGA-CHLKZYANSA-N	409.555	4.893	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C)c1ccc(Cl)s1	733935726	BOUWBQKLYUVVMK-NIFLVVHWSA-N	405.951	4.641	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(C3CCCCC3)cc2)c1C	734256918	SOCZEVMBJXZUAA-UHFFFAOYSA-N	401.514	4.960	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cs1)C1CC1	734306844	UALMMMVVRCSICV-WDZFZDKYSA-N	421.309	4.511	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cc(F)c(F)cc2F)o1	734553615	QSRSQLYSLFQPFX-UHFFFAOYSA-N	412.371	4.615	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1	734553745	XHRNHVQSASDSIS-UHFFFAOYSA-N	400.360	4.505	50	20	HJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=Cc1occc1Br	735226926	GGNVNGNKCHTFIK-UHFFFAOYSA-N	424.707	4.770	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cnc2ccc(Br)cn12	736409690	LVIKDYGDAKWDNJ-MDWZMJQESA-N	405.255	4.676	50	20	HJGD	
Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)CCCC[C@@H]2CCSS2)o1	737882882	QHDSSQMYZCLESQ-QZTJIDSGSA-N	403.573	4.718	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(OCC(F)F)cc1	741840321	OYDJCUWCIKDEML-ZSOIEALJSA-N	406.816	4.847	50	20	HJGD	
COc1ccc(/C=C\C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1	742005966	BYWWAGJEGNAHSL-DAXSKMNVSA-N	416.102	4.921	50	20	HJGD	
Cc1ccccc1OCCCOC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	742862848	PKWPWUBEOIFSAM-DWFNGTSHSA-N	422.525	4.512	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1)c1ccccc1	746420176	DEQHIMRPRQUOKD-HNAYVOBHSA-N	421.463	4.723	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1NC(=O)NC(C)(C)C	747590957	PAOOBXJDJBSBPC-UHFFFAOYSA-N	408.424	4.691	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1	748722303	QBKBMTYNJZWBKO-UHFFFAOYSA-N	416.890	4.674	50	20	HJGD	
CCSc1ccc(Cl)cc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	752625389	LSNKEZLEFVYRFH-UHFFFAOYSA-N	409.298	4.912	50	20	HJGD	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752980216	GGLIRKRFSRQDNV-NXEZZACHSA-N	410.430	4.629	50	20	HJGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1	756164921	HQMMUXXDGBLXLI-UHFFFAOYSA-N	403.813	4.596	50	20	HJGD	
CCCc1nnc(S)n1CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762747292	KTSUBMMQTKIWIO-UHFFFAOYSA-N	402.414	4.815	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H](Cn2ccnn2)C1	762966921	ANYYZNICEGQJHF-GFCCVEGCSA-N	411.400	4.880	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(C3CCC3)cs2)c(C)n1C[C@H]1CCCO1	767105344	DXCPQZHFFBESPL-XLYVWGIVSA-N	410.543	4.554	50	20	HJGD	
Cc1nnc([C@@H](C)NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)s1	778070727	CHOXWUJJOOASKK-SSDOTTSWSA-N	409.427	4.543	50	20	HJGD	
CC[C@H]1C[C@H](CC(=O)NNc2c(Cl)cc(Br)cc2Cl)CCO1	781684990	RIQFWNCCEJLIQQ-KOLCDFICSA-N	410.139	4.794	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1ccc(Oc2cccc(Cl)c2Cl)cc1	781818865	OOBZGXHXQZYLAV-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
CCCCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)ccc1OC	787150518	COMVHDXMSZCVID-TYSUYXETSA-N	408.498	4.667	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)ccc1Cl	790176368	RGOQHVQVBSUMAX-UHFFFAOYSA-N	407.901	4.668	50	20	HJGD	
CC(=O)N1C[C@H]2[C@@H](NCc3ccc(CO[Si](C)(C)C(C)(C)C)cc3)CCC[C@H]2C1	808783210	LXTQEUKGYSZWPQ-ZRBLBEILSA-N	416.682	4.945	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1	875907304	VFVKBXUMYIXNTH-UHFFFAOYSA-N	414.799	4.821	50	20	HJGD	
O=C(Nc1nnc(-c2ccccc2)s1)NN(Cc1ccccc1)c1ccccc1	915320637	SXEWTBNOLCTCOM-UHFFFAOYSA-N	401.495	4.948	50	20	HJGD	
N#C/C(=C/c1ccc(F)c(Br)c1)S(=O)(=O)c1ccc(Cl)cc1	916152881	WIMXWANLUNANDM-QPEQYQDCSA-N	400.656	4.580	50	20	HJGD	
CCCOc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	917743414	YJDUSPMEVNHMRJ-LDADJPATSA-N	415.921	4.739	50	20	HJGD	
O=C(NNc1ccc(F)cc1)[C@H](Oc1cccc(Br)c1)c1ccccc1	918014421	ZWQAXZCRCBDVNU-LJQANCHMSA-N	415.262	4.852	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(OC)c(OCc3ccccc3)c2)n1	920387710	NWDBZLSHLBCFIW-WQRHYEAKSA-N	420.490	4.972	50	20	HJGD	
COc1cc(Br)c(OC)c(C(=O)NNc2ccc(C(C)(C)C)cc2)c1	1116517317	RTKVKEVHPARCQG-UHFFFAOYSA-N	407.308	4.521	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	1321184145	ISOIZDCBBNCMIL-HAQNSBGRSA-N	412.704	4.537	50	20	HJGD	
N#C/C(=C\c1ccc2c(c1)CCN2Cc1ccccc1)c1nc(N)c2ccccc2n1	1325842317	ZZCZIZUJKAZEJE-RCCKNPSSSA-N	403.489	4.839	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C4CC4)on3)CCC2)cc1	1786009890	VDOPDRZLZHQWQM-UHFFFAOYSA-N	415.921	4.565	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccoc1C(F)(F)F	1788583896	GJXBWPANMRYUEJ-AWEZNQCLSA-N	418.774	4.581	50	20	HJGD	
CCOc1ccsc1C(=O)NC1(c2ccc(NC(=O)[C@@H](Cl)CC)cc2)CCC1	1790484138	FFBWHNGWHOWIKU-INIZCTEOSA-N	420.962	4.912	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccc(C2CC2)cc1	1790782591	GHZRHYZBXNUBCA-LJQANCHMSA-N	400.881	4.846	50	20	HJGD	
CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)CC1	1827614606	PZRKJUOBOSDHOD-AFYVEPGGSA-N	414.993	4.603	50	20	HJGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1	212639269	CWAQMYJQXWDYMM-WQRHYEAKSA-N	416.506	4.931	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1	303532424	RMMLNCQBVMOZAY-SXGWCWSVSA-N	404.451	4.881	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	725908290	IWBHDKUGNODHOH-UHFFFAOYSA-N	420.416	4.604	50	20	HJGD	
COc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1O	729859276	JYYAOUFDTPVVFD-MOSHPQCFSA-N	407.514	4.548	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC3CC3)cc2)c(C)n1C[C@H]1CCCO1	733117027	KJJGUOPQEPCQCU-QYAMMSNYSA-N	419.525	4.618	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2c(C)noc2C)c1C	733764176	PTYWYBNNJOWRED-IXGURIBZSA-N	402.498	4.792	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1ccc(-c2ccc(OC(F)F)cc2)s1	733810075	SQBCVJGXJNWPMM-UHFFFAOYSA-N	412.421	4.717	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(-c3ccc(Cl)cc3)on2)ccc1Br	734252898	DSYQUZMSDQHNHR-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@@H](Cc1ccccc1)c1cccs1	735090840	JJWOXFGIKHIBIF-NRFANRHFSA-N	415.518	4.829	50	20	HJGD	
CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)CCCC[C@@H]1CCSS1	741702968	TZHYVLNOZACIBS-CYBMUJFWSA-N	419.515	4.689	50	20	HJGD	
O=C(NNC(=O)c1c[nH]cc1-c1ccc(F)cc1)c1ccc(-c2ccc(F)cc2)s1	742035809	ABPZJQXLTZRLDR-UHFFFAOYSA-N	423.444	4.763	50	20	HJGD	
C/C(=C/C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1	742627324	HAHZDQYLAMPNSC-NTMALXAHSA-N	417.214	4.877	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)cc1	748117169	POOXRPYERDVQBP-VKAVYKQESA-N	406.445	4.943	50	20	HJGD	
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NNc3ccc(Cl)c(F)c3)c12	748897381	FJBZZGRGHKUMDY-UHFFFAOYSA-N	415.881	4.555	50	20	HJGD	
COc1ccc2[nH]cc(C3=CCN(/C(=C\C#N)c4cccc([N+](=O)[O-])c4)CC3)c2c1	750040432	XBVWHJFBQLVXHZ-FINSYCMTSA-N	400.438	4.738	50	20	HJGD	
CCN(C(=O)NNC(=O)c1cc2ccccc2o1)[C@@H](C)c1cccc(C(F)(F)F)c1	750284445	KFOCFIWTFWUXRF-ZDUSSCGKSA-N	419.403	4.889	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1[nH]c2ccccc2c1Br	754142330	FIBGKFWXACCDGD-UHFFFAOYSA-N	416.172	4.845	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H](c1ccccc1)c1nccs1	754641339	QYKKSBRCNCRIIF-HNNXBMFYSA-N	410.396	4.717	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)Nc1cccc(COCc2ccco2)c1	755970623	SGFGMACAQYOAMD-UHFFFAOYSA-N	415.449	4.616	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccccc1SC(F)(F)F	756057579	XBOMXLZGOFKQLL-UHFFFAOYSA-N	421.400	4.624	50	20	HJGD	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NNC(=O)c1cccc2ccccc12	756071142	PAQIOAQGLKKMFW-OAHLLOKOSA-N	410.543	4.776	50	20	HJGD	
Cc1ccncc1[C@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762672351	RBCCMDXQYSNHHB-NSHDSACASA-N	409.380	4.863	50	20	HJGD	
CC(=O)CCCCCCC(=O)NNc1ccc(Br)cc1C(F)(F)F	764200957	CZXUZWCVPBEIDM-UHFFFAOYSA-N	409.246	4.841	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1	765181807	PQLGTMNVMDLKGM-UHFFFAOYSA-N	402.451	4.664	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(Br)cc3[N+](=O)[O-])c[nH]c2c1	767713517	KFHHRVCKGAKQSQ-QPEQYQDCSA-N	410.227	4.937	50	20	HJGD	
C[C@H](C#N)CSc1ccccc1NC(=O)NNc1ccc(F)cc1Br	770026119	WUBSVTLUFBISIX-LLVKDONJSA-N	423.311	4.989	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc3ccc(Br)cc3n2)cc1	771522220	ZXQHNLXFLWRQRI-WQRHYEAKSA-N	413.296	4.644	50	20	HJGD	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)NNc2ccc3ccccc3n2)cc1	775653091	OIMITKYALIGAIM-OAHLLOKOSA-N	421.501	4.969	50	20	HJGD	
COc1ccccc1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777845009	QKRHXOVOGGANDH-UHFFFAOYSA-N	403.394	4.831	50	20	HJGD	
O=S(=O)(NCc1ccc(Cl)nc1)c1cccc(S(F)(F)(F)(F)F)c1	777896232	BJPDCGAIVFUWHS-UHFFFAOYSA-N	408.801	4.871	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3ccc(O)cc23)c1C	782739655	BWWVIHPTZWKSGS-VBNMEBLOSA-N	403.482	4.717	50	20	HJGD	
Cc1cccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	782792820	NCEMIYBQEQQCRR-MRXNPFEDSA-N	402.825	4.792	50	20	HJGD	
CC1CCN([C@@H](C)CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782980177	SXLMAZQVXVUJJB-ZDUSSCGKSA-N	422.485	4.743	50	20	HJGD	
Cc1nnc(COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1	783518173	MNBWWUVSQSDKEE-SXGWCWSVSA-N	412.902	4.558	50	20	HJGD	
Cc1ccnc(-n2nc(C)cc2NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	786093765	SAXVHKLJFYUBMA-UHFFFAOYSA-N	412.497	4.627	50	20	HJGD	
COc1ccccc1COc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1C	787475532	SXTPTAPOBWZNDA-XSFVSMFZSA-N	414.461	4.834	50	20	HJGD	
Cc1cscc1CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	787587939	NQDNKVJZLFDKKQ-UHFFFAOYSA-N	400.394	4.969	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccnc(Br)c2)cc1)c1ccccc1	788528528	LCWBXNGWILVYEJ-CQSZACIVSA-N	412.287	4.741	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2OC(F)(F)F)c1C	790522739	IEFRMBIUSQOLQD-XGHPXPSOSA-N	421.419	4.757	50	20	HJGD	
CSc1ccccc1[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	799405274	QCPVADOGVOLHEF-BVWSBTSUSA-N	423.582	4.790	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)[C@@H](Sc1ccccc1F)c1ccccc1	805462952	HVRIVMZEOYVEMD-FQEVSTJZSA-N	408.502	4.860	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1C	806554668	XJLUOHCSOQYLAQ-DHDCSXOGSA-N	400.862	4.528	50	20	HJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1C	809145685	CYOFLEAOXXVFQP-UDWIEESQSA-N	413.477	4.655	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813494647	VOVXPOHXVJZPHX-UHFFFAOYSA-N	410.135	4.557	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cccc(OCc2cccs2)c1	816486066	MVHCYUVVLVBXOS-UHFFFAOYSA-N	402.907	4.651	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(N3CCOC3=O)c2)c(C)n1CCC(C)C	914727189	YGTUYEOIDCJPFP-MOSHPQCFSA-N	420.513	4.653	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1	916605465	CNBZDVWKIVJJFA-LSPINASFSA-N	406.482	4.604	50	20	HJGD	
CCCCN1C(=O)CC[C@H](C(=O)NNc2cc(C)cc(C)c2)[C@H]1c1ccc(OC)cc1	917155052	QFSKXXDHERXMOE-LADGPHEKSA-N	423.557	4.535	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(C3CC3)no2)c1C	918808145	LUFRAVQWUYVOSU-XNHPLOEXSA-N	416.481	4.874	50	20	HJGD	
CC(C)=CCOc1ccc(CCC(C)=NNC(=O)c2c(C)nc3ccccn23)cc1	920359584	CMSRVGIQNCLZDJ-UHFFFAOYSA-N	404.514	4.726	50	20	HJGD	
O=C(NCc1ccco1)NN=Cc1ccc(-c2ccccc2Br)s1	920828485	ARMBCHUDDYVDDO-UHFFFAOYSA-N	404.289	4.604	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1	921259323	NXLUDXNIDIQNLL-VGOFMYFVSA-N	402.686	4.994	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(/C#N)c1nc2ccccc2[nH]1	921262557	UEPKAMUYJLEDKK-PTNGSMBKSA-N	412.287	4.805	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)c1C	1318941944	QWOIJLGRAASHMA-RLGUWMIQSA-N	417.962	4.737	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](Cl)CCC)[nH]n1	1819303347	UGGFVZZQWSLQQN-NUJGCVRESA-N	406.958	4.578	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)cc2C)n[nH]1	1823315038	NUKCMJFLEIDFLU-AEFFLSMTSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)CC1	1829964198	WOFMQTUVLXAOJI-PZJWPPBQSA-N	422.972	4.775	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1830313953	UYVGKUSHMGWIJJ-WLRLJWMZSA-N	411.030	4.840	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1	22235455	NHVAARVQGROWGG-UHFFFAOYSA-N	402.376	4.661	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1C	45328194	WJFJKQRGVNMHFQ-CEMPLAKHSA-N	407.514	4.618	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c1	64925576	KNMAJVUAFOFKSU-NVNXTCNLSA-N	401.369	4.667	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc(Cl)c1OC	207871747	IQZIQYFYNMPFCP-QPEQYQDCSA-N	421.280	4.955	50	20	HJGD	
Cc1csc(CC(=O)NN=Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)n1	725857458	MBWZXTYBBMDCSI-UHFFFAOYSA-N	420.460	4.571	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CC2CC2)C2CCCCC2)c(C)n1C[C@H]1CCCO1	727715089	JGCCURHEDIHUJW-MGSPXPDISA-N	409.574	4.762	50	20	HJGD	
CCCCOc1ccc(C=NNC(=O)c2cc(F)ccc2Br)cc1OC	728436338	QAYZRBZUULOSQR-UHFFFAOYSA-N	423.282	4.540	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1	729616712	WYJLIERBWRQZFP-GFCCVEGCSA-N	415.450	4.553	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NNC(=O)OC(C)(C)C	730142255	VRGUEXCLYNJEQX-LLVKDONJSA-N	410.927	4.572	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(\C#N)c1nc2cc(F)ccc2s1	730149799	ZLZIRPBLQZVFCR-GXDHUFHOSA-N	418.453	4.862	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CC[C@@H](N2CCCCC2)C1	730897610	OFYVPYRRAJNWAQ-CZUORRHYSA-N	421.916	4.998	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cccc(OCc3ccccc3C#N)c2)n1	731319236	MPRPZVDDOMMGKD-VXLYETTFSA-N	415.474	4.835	50	20	HJGD	
COC(=O)c1ccc(NC(=O)CCCC[C@@H]2CCSS2)c(OC(F)F)c1	732178738	UJNLMBGGOBJITR-GFCCVEGCSA-N	405.488	4.727	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccc(Cl)cc2)n1)C(=O)N(CC(F)(F)F)C1CC1	732715114	LEQSTYVMQPLIKO-GHXNOFRVSA-N	411.836	4.924	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3cnnc4ccccc34)oc2c1	733811637	JMIYDZJDQNAAQK-UHFFFAOYSA-N	410.433	4.809	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](c2ccccc2)C2CCCC2)c(Cl)c1	745656960	DSIPJPXJDOOCET-IBGZPJMESA-N	400.910	4.916	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1	746058852	RMEJOVATTKCGHI-KWWJGWKXSA-N	409.829	4.610	50	20	HJGD	
O=C(NNc1ccccc1)c1cccnc1SCc1ccc(Br)cc1	747988984	JSYJJOWQQQHQLL-UHFFFAOYSA-N	414.328	4.893	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc2ccc(OC(F)(F)F)cc2[nH]1	748070341	MZUBKOQRWTYZJB-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
C[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H](C)N1CCOCC1	752976301	NYNUAGUUXMHUQQ-RYUDHWBXSA-N	403.417	4.575	50	20	HJGD	
CN(c1ccccc1)c1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cn1	754153523	ITGDKJUFGVZUGS-UHFFFAOYSA-N	404.367	4.764	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	755407059	HTRZEMXBAQYQQO-QPEQYQDCSA-N	408.351	4.756	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccccn1	760861712	GLPKEBPKUJJRJB-LJQANCHMSA-N	417.296	4.813	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1F)c1ccc(Br)cc1	767083720	FGZQIRRUDJMGQT-SECBINFHSA-N	416.088	4.598	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccc(Br)c(F)c3)o2)cc1	771675376	SDRCEVPDOKVDKA-UHFFFAOYSA-N	417.234	4.808	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1ccc2nc(C(F)F)[nH]c2c1	772430185	XKQVVAHLYPWKNN-UHFFFAOYSA-N	414.185	4.551	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cn(Cc2ccccc2)c2ccccc12	775243861	WSDWHJBTFLLINE-UHFFFAOYSA-N	410.399	4.860	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc23)c1	780796615	HGXSDUXZHJWOMW-UHFFFAOYSA-N	421.497	4.617	50	20	HJGD	
O=S(=O)(NCC[C@@H](O)c1ccccc1)c1ccc(S(F)(F)(F)(F)F)cc1	782978588	CTZIUWVQJXTVOM-OAHLLOKOSA-N	417.421	4.746	50	20	HJGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)cc1	783034745	GZGSZQXWIRCDIN-MRXNPFEDSA-N	421.522	4.630	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2csc(COc3ccccc3)n2)cc1	787153615	FTSOLWRDRGXRQF-YAJBTMAUSA-N	419.506	4.515	50	20	HJGD	
C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)CCCC[C@@H]1CCSS1	790210705	RIBWKLCGFDUJIK-CRAIPNDOSA-N	408.589	4.877	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(C(F)F)c1Cl	792437248	FDNGIYXJMDEIAY-UHFFFAOYSA-N	408.619	4.666	50	20	HJGD	
Cc1csc(C(=O)NNC(=S)Nc2ccccc2C(C)C)c1Br	792597707	LXWFRTHURBXNRM-UHFFFAOYSA-N	412.378	4.574	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cccc(C2CCC2)c1	799099641	BQYIIQQJMDUZPS-UHFFFAOYSA-N	413.403	4.582	50	20	HJGD	
O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2cccc(CCl)c2)s1	799891031	IOZRCSZGABNBLZ-YBEGLDIGSA-N	404.322	4.944	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	805384921	UEXDKAINYRBMHL-HOTGVXAUSA-N	408.483	4.706	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(OCC(F)(F)F)cc1	807121000	OWKZZMJTESGRPK-UHFFFAOYSA-N	420.387	4.571	50	20	HJGD	
CCCCCn1nc(C(=O)NN=Cc2csc3ccccc23)c2ccccc2c1=O	812431210	BEXUOGLBXFYKEX-UHFFFAOYSA-N	418.522	4.565	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](c2ccco2)N(C)C)c(C)n1C1CCCCC1	858537428	NOCGTSAKJXDEJL-FBHQFGEZSA-N	408.546	4.529	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cccnc1Nc1cccc(C(F)(F)F)c1	876993939	XFAOIEHMSAZEBO-UHFFFAOYSA-N	408.330	4.879	50	20	HJGD	
COc1ccc2cc(-c3cc(C(=O)NNc4ncccn4)c4ccccc4n3)ccc2c1	913498201	QJLUETCFAAWCDA-UHFFFAOYSA-N	421.460	4.611	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2F)C(C)C)c1C	914502378	RSVCQXLZBNCXDV-YPKZHZFPSA-N	411.521	4.796	50	20	HJGD	
CC(=NNC(=O)c1ccc(Br)s1)c1sc(C(C)(C)C)nc1C	915112315	ZJWSBIDAMINAGP-UHFFFAOYSA-N	400.367	4.727	50	20	HJGD	
CCc1cccc(CC)c1Nc1nc(Cl)c(C=NNC(=O)c2ccncc2)s1	916243218	OYGVUDQSDQDRDR-UHFFFAOYSA-N	413.934	4.824	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(Cl)nc2)c1C	917725485	PQCAJEKRYVMSIO-RGVLZGJSSA-N	404.901	4.674	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1C	917760900	LYYMKFHQENGKJZ-TUVRHOMCSA-N	420.557	4.674	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N(C)Cc3csc4ccccc34)cc2C1	920963162	PLWDTRMEDOUXOK-CYBMUJFWSA-N	413.568	4.574	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccccc2Cl)c(C)n1-c1ccc(F)c(F)c1F	1115837602	OTTJABXPYWNDPJ-UHFFFAOYSA-N	405.807	4.929	50	20	HJGD	
CC(C)c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)cc1	1827614103	KXTLRRXHZOVGFU-IFMALSPDSA-N	422.972	4.507	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)cc1	7210617	ZONBFJLFCHQMHE-KGENOOAVSA-N	411.461	4.770	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2sc3cc(F)ccc3c2Cl)cc1	15429361	DDJYQGIVVARTQZ-UHFFFAOYSA-N	423.922	4.724	50	20	HJGD	
CSc1nc(C)c(CCC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(C)n1	27569196	JZBMPBDFUPHHJN-UHFFFAOYSA-N	419.765	4.851	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2ccccn2)ccc1OCC(=O)N(C(C)C)C(C)C	98067950	SUOPGBZUHSVLMH-MOSHPQCFSA-N	407.514	4.569	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(c3ccc(F)cc3)CCOCC2)c1C	730502128	XKDWSALEPUMFQY-LTGZKZEYSA-N	423.532	4.773	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cccc(OCc2ccccc2C(=O)O)c1)C1CCCCC1	732715803	ADSXDZDNEBEZMW-ZHZULCJRSA-N	418.493	4.662	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](N3CCCC3)CC2)c(C)n1C1CCCCC1	737691733	NTNVIFRGQGIXAK-UDJLBMROSA-N	422.617	4.994	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)c1ccc(C2SCCCS2)cc1	741582257	WEHVJLRRNNBJKI-UHFFFAOYSA-N	408.548	4.783	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)ccc1Br	743415622	AEIRBDDKRUAVGW-UHFFFAOYSA-N	418.335	4.807	50	20	HJGD	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NNc1cccc(F)c1	748089788	RKNKMKHVKULHCR-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NNc1cccc2c1CCCC2	748573735	IJMZMYHXOREJCX-UHFFFAOYSA-N	408.933	4.837	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1	748672871	NRDZOBIDYLGXRP-IBGZPJMESA-N	415.465	4.794	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1Cl	753317478	VJYCXDPPSDRWJU-UHFFFAOYSA-N	404.882	4.991	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)C2CCN(C)CC2)c(C)n1C1CCCCC1	754406574	PHHWVUWGPKRSBU-KMYAOZERSA-N	410.606	4.706	50	20	HJGD	
Cc1cnc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(Br)c1	754423769	HILRODTXFNAZCD-CAOOACKPSA-N	415.335	4.773	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(-c3c(C)noc3C)cc2)c1C	759915954	SVTZHFAOOCDXDF-FYJGNVAPSA-N	419.481	4.536	50	20	HJGD	
O=C(NN=C1CCC(O)CC1)c1ccc(COc2ccccc2-c2ccccc2)cc1	761746827	YQZWACSVJMJZQN-UHFFFAOYSA-N	414.505	4.953	50	20	HJGD	
CS[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1N(C)C	762974466	IMGIVHGABSZVBM-STQMWFEESA-N	405.458	4.853	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccc(-c2noc(C(F)(F)F)n2)c1	764118306	XVSXXVMVURFAHZ-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNc1c(Cl)cc(Br)cc1Cl	772316343	RONJPOOISDOOOB-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
CC(C)c1nc2ccc(NC(=O)C(=O)NNc3cccc(C(F)(F)F)c3)cc2s1	773750369	GCCOWSGEJDNZFD-UHFFFAOYSA-N	422.432	4.520	50	20	HJGD	
COc1ccccc1/C=C(\C(=O)NNc1ccc(C(F)(F)F)cn1)c1ccccc1	775252404	JXLWIVRTNZQWSK-AQTBWJFISA-N	413.399	4.793	50	20	HJGD	
C[C@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(C)(C)CN(C)C	777999345	MELDYVJRULSNLD-NSHDSACASA-N	410.474	4.599	50	20	HJGD	
C[C@H](CBr)COC(=O)Cc1csc(Cc2cccc(Cl)c2)n1	787012567	HHJNCUCKMSVWGG-LLVKDONJSA-N	402.741	4.504	50	20	HJGD	
Cc1cccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)c1C(=O)N1CCCC1	792235431	AMJXDIOSUTUYBJ-UHFFFAOYSA-N	407.301	4.686	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C	805384097	BEUVYUNEGGGFDM-UHFFFAOYSA-N	424.505	4.592	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805386348	BEXWDUGQIQIEEK-UHFFFAOYSA-N	407.426	4.851	50	20	HJGD	
CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	808976964	MNIIHWQRLLZFLI-LBPRGKRZSA-N	417.444	4.519	50	20	HJGD	
COc1ccc(C(=O)NN=C2CCC(c3ccc(O)cc3)CC2)cc1Br	814846587	UZPALVKBLIWSJY-UHFFFAOYSA-N	417.303	4.607	50	20	HJGD	
Cc1noc(C)c1C(C)(C)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016563	ATCGDUMBTALVKF-UHFFFAOYSA-N	409.330	4.750	50	20	HJGD	
CCOc1ccc(NNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	857513178	XEAMFWFQEGTVOQ-UHFFFAOYSA-N	422.325	4.645	50	20	HJGD	
CCCN(C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C)[C@H](C)c1ccccc1OC	914507099	BSROROIQGROBBM-JFLDFIPSSA-N	423.557	4.667	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	915878192	NHDBBZZVNGPSGK-UHFFFAOYSA-N	421.309	4.892	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccncc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	916243052	DUGMCQLPGGWZNW-UHFFFAOYSA-N	420.822	4.925	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cc(-c3ccccc3)cs2)cc1OC	917516306	RWZALPTUHFXRQW-CPNJWEJPSA-N	418.518	4.698	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3nccs3)c2C)cc1	917953414	PUIRDYZAMHJRPQ-LDADJPATSA-N	407.495	4.600	50	20	HJGD	
C[C@H](Sc1ccc(Br)cn1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	919676610	IKSIOELSPGDIJV-MFGFFKQHSA-N	418.341	4.847	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	921036420	LEXVXVHHFYZLEE-HOCLYGCPSA-N	400.560	4.621	50	20	HJGD	
C=C(Br)CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	921113480	NDQNBCYBYYCHNB-SNVBAGLBSA-N	403.651	4.936	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C3(c4ccccc4F)CC3)CCC2)cc1)[C@@H](F)Cl	1788588475	UGRZAWVKQGMWSK-GOSISDBHSA-N	418.871	4.526	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2cccs2)n[nH]1	1822703833	OTKFTBNABNEPGO-OFQRWUPVSA-N	422.982	4.675	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](Cl)CCC)CC1	1824615911	JINFYMOLOFOGFH-NJDAHSKKSA-N	409.014	4.782	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(CN3CCSCC3)c2)c1C	109484856	SOXRNENWIOSZMQ-JCMHNJIXSA-N	422.598	4.609	50	20	HJGD	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NNc3ccc(F)c(F)c3F)c12	110963144	VGGRQORIQYIQPC-UHFFFAOYSA-N	418.419	4.863	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)Nc2ccccc2C)cs1	207821103	QOOFUPJMMIKNJE-ATVHPVEESA-N	402.479	4.682	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1C	209184778	MXJCNFMDBNIQGJ-DUBROFONSA-N	403.530	4.812	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=Cc3ccccc3OC(C)C)s2)cc1	730557795	QCIWTXMEYHYXNJ-UHFFFAOYSA-N	409.511	4.557	50	20	HJGD	
CC(C)(C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1	731151408	YXTFSUQLHBOZTA-UHFFFAOYSA-N	408.505	4.967	50	20	HJGD	
Cc1nnc(Sc2ccc(NC(=O)c3c(C)nn(CCCl)c3C)c(C)c2)s1	733929843	PDVQNYUCZLEGKX-UHFFFAOYSA-N	421.979	4.611	50	20	HJGD	
Cc1csc(C(C)(C)NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)n1	734804805	CHBSLILWLVONJN-WQRHYEAKSA-N	422.529	4.957	50	20	HJGD	
Cc1cc(NNC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)nc(C)n1	736717194	ULEXZFUDBDJUFD-IBGZPJMESA-N	416.909	4.863	50	20	HJGD	
CCN(CC)C(=O)c1ccc(OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	741599076	AWFMEUGGDDJFIP-HYARGMPZSA-N	421.541	4.756	50	20	HJGD	
CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCCC[C@@H]1CCSS1	744109104	PXYHYJVPDQDLHT-GOSISDBHSA-N	401.041	4.944	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccccc2OCC(F)(F)F)cc1	744572171	XMDNDTSTKAFACL-GZTJUZNOSA-N	405.372	4.677	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cc3ccccc3o2)c(C)n1C[C@H]1CCCO1	746561236	SJWKHMSAVDMUCL-UHSICZIDSA-N	417.509	4.596	50	20	HJGD	
Cc1nc(COc2ccccc2C(=O)NNc2ccc(C(F)(F)F)cc2)cs1	747589982	WDLDIKBNKZJFJQ-UHFFFAOYSA-N	407.417	4.806	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(C2CC2)nc2ccccc12	748185570	WSTNMUHNRVQSDE-UHFFFAOYSA-N	400.251	4.771	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c1C	748647641	VFYDWCBLBMQQCF-NDENLUEZSA-N	416.481	4.906	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cccc1[N+](=O)[O-]	748682659	JHPVCRJPSDJSJE-UHFFFAOYSA-N	420.853	4.661	50	20	HJGD	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC	751443705	PSICJDTVHOUVQI-ZROIWOOFSA-N	404.438	4.873	50	20	HJGD	
CCOc1ccc(C(=O)NNc2ccc(Br)cc2CC)cc1OCC	753169909	MUSJOEUYFHMLNJ-UHFFFAOYSA-N	407.308	4.566	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(Cl)c(N)c(Cl)c1	753506532	WTTDFKCOYPIXHZ-UHFFFAOYSA-N	403.107	4.657	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2cc(Cl)ccc2Cl)cc1Br	753700577	LXWFHIIZYFIENE-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2O[C@@H]2CCOC2)c1C	760154130	KXSYKWHFEXJKPY-JCZXDDDQSA-N	407.514	4.618	50	20	HJGD	
CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762641963	RTGDBIKPYWQQOU-UHFFFAOYSA-N	424.391	4.998	50	20	HJGD	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1ncnc2ccsc12	766676418	JNXDVWHAPVHSEZ-JTQLQIEISA-N	415.931	4.517	50	20	HJGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1cccc(NC(=O)c2ccccc2)c1	767032388	LKGOIZFOHWQZLV-RDTXWAMCSA-N	417.347	4.926	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(Cl)ccc(C(=O)OC)c2C)c1C	767229273	WEKHFGGHKVJKLY-GZTJUZNOSA-N	413.905	4.809	50	20	HJGD	
Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H](Br)C(C)(C)C	767301379	ADBMSDRVPXJYSG-KRWDZBQOSA-N	403.320	4.995	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	772888629	IQNZMUDISDVGBT-UHFFFAOYSA-N	415.519	4.547	50	20	HJGD	
COc1cc(/C=C(\C(=O)NNc2cccc3c2CCCC3)c2ccccc2)ccc1O	773460136	VUYNSAQLZXYVCJ-JWGURIENSA-N	414.505	4.964	50	20	HJGD	
Cc1cc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)nn1CCC#N	777644423	HACZXSMKTPKPJA-UHFFFAOYSA-N	416.397	4.563	50	20	HJGD	
CCCc1nnc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)s1	777669396	MBYTYJNHVQSPFE-UHFFFAOYSA-N	409.427	4.949	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C	777828517	RCIGZVDYNCQMHO-UHFFFAOYSA-N	420.252	4.500	50	20	HJGD	
C=CCC(CC=C)C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783463333	QAOILGDYWANIBA-UHFFFAOYSA-N	405.410	4.917	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2cc3ccccc3o2)c(C)n1C[C@@H]1CCCO1	785615282	GWAINJSUDSWPFQ-OSEXAILYSA-N	417.509	4.815	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	786042980	OKYWPBINZWFQEX-YBEGLDIGSA-N	423.321	4.935	50	20	HJGD	
COc1cc(NNC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)ccc1Cl	788657680	POQUINXPPDPQMR-UHFFFAOYSA-N	406.273	4.645	50	20	HJGD	
CCC(CC)(C(=O)NNc1ccc(Cl)c(OC)c1)c1ccc(OC)c(OC)c1	790197323	UWJBNEANJDSBDL-UHFFFAOYSA-N	406.910	4.567	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C#N)c2cnc3ccccc3n2)cs1	790231593	SNMYDUGEOCHKIH-XNTDXEJSSA-N	415.453	4.974	50	20	HJGD	
CCCOc1cn(-c2ccccc2)nc1C(=O)NNc1cc(Cl)cc(Cl)c1	791718531	RIKZMOIGHLZKII-UHFFFAOYSA-N	405.285	4.725	50	20	HJGD	
Cn1c(Cl)cnc1C=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	799466934	VPHLSGBYVJAIBA-UHFFFAOYSA-N	418.884	4.570	50	20	HJGD	
CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)CCCC[C@H]1CCSS1	800689952	UXTCCFNQMMKMTQ-GOEBONIOSA-N	413.630	4.841	50	20	HJGD	
CCOC(=O)c1csc(=O)n1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	806592145	OROZDXBQGUKWJT-UHFFFAOYSA-N	407.608	4.657	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1	807122033	RUTVAWCYXOLCIS-UHFFFAOYSA-N	423.217	4.502	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1cscc1C(F)(F)F	811630200	CDIKNXRAIFDUJB-UHFFFAOYSA-N	404.413	4.963	50	20	HJGD	
CC[C@H](C)n1nc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C	817015250	TYSZJNGWFRYNBG-VIFPVBQESA-N	408.346	4.957	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc([C@@H](C)CC)cc2)cc1	849205059	MZHNSOCLSZFDFM-PNWWAVQQSA-N	406.482	4.688	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc3cnn(C(C)C)c3nc2Cl)cc1	873874501	POEJSCMNSRKYAZ-OQLLNIDSSA-N	409.877	4.610	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc(C)c1OCc1ccccn1	915989163	AKBOFSMNOXFLJB-JAIQZWGSSA-N	412.445	4.796	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)c1c[nH]c2cc(F)ccc12	915989775	DDXWJWAOQAJPRL-FRKPEAEDSA-N	404.832	4.995	50	20	HJGD	
COCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	916058225	JTPMSMZPACUDJW-STZFKDTASA-N	415.493	4.795	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCCO2	917034623	VWFTWACDOWTKJI-MLPAPPSSSA-N	419.264	4.627	50	20	HJGD	
CN(C(=O)CCCC[C@H]1CCSS1)C1CCN(C(=O)OC(C)(C)C)CC1	918124120	SLZZUUXSSRSAJT-INIZCTEOSA-N	402.626	4.558	50	20	HJGD	
N#C/C(=C/c1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)c1ccc2c(c1)OCO2	920069138	VEKRWSKIWRZXOK-JYRVWZFOSA-N	412.232	4.698	50	20	HJGD	
CC(CCc1cccc(C(F)(F)F)c1)=NNC(=O)c1cc(Br)c[nH]1	920370430	JFTPXTICRHHZBW-UHFFFAOYSA-N	402.214	4.535	50	20	HJGD	
Cc1ccc2[nH]c(C(=O)NNc3ccc([N+](=O)[O-])cc3Br)c(Cl)c2c1	1321504761	KRXWDKTXERCRCP-UHFFFAOYSA-N	423.654	4.557	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(/C#N)S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cn1	1326874770	WSFOQFCYNIDKQA-IUXPMGMMSA-N	418.305	4.732	50	20	HJGD	
CCC1(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)CBr)cc3)CCC2)CCC1	1786070640	KFKJJEDGOAZOPE-HNNXBMFYSA-N	421.379	4.732	50	20	HJGD	
C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCCCCCCl)CC1	1830278284	RTVGKCYZJKLEQZ-QFIPXVFZSA-N	423.041	4.989	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)c3nc4ccccc4n3C)c2)cc1	207881531	UFVYHXGZQOAEAX-RGEXLXHISA-N	408.461	4.898	50	20	HJGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NNc1nc(-c2ccccc2)no1	732111540	ARQUPYDLCBVSKA-UHFFFAOYSA-N	421.526	4.839	50	20	HJGD	
O=C(NN=Cc1sc(Oc2ccccc2)nc1Cl)c1cnn(-c2ccccc2)c1	733077278	QIYKTTJTUKSHIG-UHFFFAOYSA-N	423.885	4.538	50	20	HJGD	
Cc1cccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1C	734412836	NBWWCZUBGHZHKE-JRQRZOSUSA-N	405.542	4.685	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@H]1C[C@H]1c1c(F)cccc1F	734947732	ZBOQGOPYCLOKDO-KBUNVGBDSA-N	407.635	4.502	50	20	HJGD	
Cc1c(C(=O)NNc2cccc(C(F)(F)F)n2)oc2ccc(Br)cc12	740132658	QIMINUAOCPVXRW-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
Cc1cccc(COc2cccc(CC(=O)NNc3cccc(C(F)(F)F)n3)c2)c1	740141485	HMKLXNSZXYHECI-UHFFFAOYSA-N	415.415	4.674	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1ccc2c(c1)COC2	742005914	KOOHPJPKNAKDAB-UHFFFAOYSA-N	402.075	4.543	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(Br)cc1Cl)C(=O)c1cccc(F)c1	746411381	NPMODMYVOLJJQB-SNVBAGLBSA-N	413.674	4.594	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccccc3C(F)(F)F)s2)cc1	747406233	YMAYYLBTKCZGEB-UHFFFAOYSA-N	407.417	4.903	50	20	HJGD	
Cc1ccc(-c2nnc(-c3ccc(C(=O)NNc4c(F)cccc4F)cc3)o2)cc1	748175744	LSFAYOGLLLUAPN-UHFFFAOYSA-N	406.392	4.747	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12	750303099	XPYGLZMLOJEWKS-CYBMUJFWSA-N	414.918	4.530	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2c(-c3cccc(Br)c3)noc2C)c1	752144520	ZVXFMCDHZRNZQN-UHFFFAOYSA-N	400.276	4.786	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(C)n(-c2ccccn2)c1C	753169634	PAYVNZKPNVDQBF-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C3CCOCC3)C2)c(C)n1C1CCCCC1	754883554	AETGRMMLWYVDCV-XUVWKZFSSA-N	409.574	4.792	50	20	HJGD	
CC(C)OCc1ccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1	756213019	JYLFCXILEZCKDV-UHFFFAOYSA-N	417.918	4.946	50	20	HJGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2cccc(CSC3CCCCC3)c2)c1	756597375	MHIKLNPHWLOSAM-UHFFFAOYSA-N	408.527	4.591	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cc2ccccc2nc1Br	760164358	GLRKQUGMHGHCKS-UHFFFAOYSA-N	408.259	4.694	50	20	HJGD	
CCc1c(C(=O)NNc2ccccc2C(F)(F)F)cnn1-c1ccc(Cl)cc1	769726745	JCJHWUHXXLYSLZ-UHFFFAOYSA-N	408.811	4.864	50	20	HJGD	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OC[C@H](C)CBr	770416819	YNTRIGOHLCKJFG-SECBINFHSA-N	406.198	4.857	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	770823568	JLDATOTYTMPCIW-UHFFFAOYSA-N	413.343	4.873	50	20	HJGD	
CN1CCC2(CCCN2S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	778045904	GVJBHZBEODNXQW-UHFFFAOYSA-N	420.469	4.593	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)NC2CC2)cc1	780821312	PYJOHQITRMZKNS-OAHLLOKOSA-N	409.534	4.655	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(Cl)cn2)c(C)n1C[C@@H]1CCCO1	781608706	RUQIEJNMJQEDKI-BYQPJIRUSA-N	413.905	4.544	50	20	HJGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)NNc1nc2ccccc2cc1C	785154315	HOPSMYSESLYKHY-UHFFFAOYSA-N	410.477	4.600	50	20	HJGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc3ccc(Br)cc3n2)c1	786056730	QTHKSOHFNXKKQJ-YVLHZVERSA-N	406.283	4.529	50	20	HJGD	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	798910145	IHFNIFXBFLWSPE-ZHZULCJRSA-N	405.473	4.552	50	20	HJGD	
CCCN(NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC(C)(C)C	804591796	IIKQLDIOJWOYHP-UHFFFAOYSA-N	407.898	4.606	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@@H]1COc2ccccc2[C@@H]1O	808843468	GBBPQBLHYTUREF-HIFRSBDPSA-N	410.364	4.960	50	20	HJGD	
CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NNc3ccccc3)c2)cc1	825131069	PRSYPKYGDBXNCV-UHFFFAOYSA-N	423.538	4.587	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	915198761	WSSBIKKJFHCKSN-XDHOZWIPSA-N	410.433	4.690	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ccc(F)cc2F)cc1	916552301	IAXAGLGAEMKULQ-UHFFFAOYSA-N	418.447	4.942	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1csc(-c2ccc(Cl)cc2)n1	917214835	YINDCJNQLGYIHA-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(NC(C)=O)cc1	921262413	VPSAOFKWKHNJPA-QPEQYQDCSA-N	404.253	4.506	50	20	HJGD	
COc1ccc(C(=O)NNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	1320717413	NQUIWABYQBCNHF-UHFFFAOYSA-N	411.352	4.819	50	20	HJGD	
COc1cc(NNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)ccc1Cl	1339500885	LANPGLFOBVCADR-UHFFFAOYSA-N	414.893	4.598	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccnc3S)cc2)CCC1	1785843234	PYXJQGHZSGFZPA-KRWDZBQOSA-N	417.962	4.526	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1	1790495191	XDVYPFSYQQMUGO-FQEVSTJZSA-N	423.340	4.583	50	20	HJGD	
CCCCC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](Cl)COC)cc2)CCC1	1791571741	JTZBCFKATJKHRG-QFBILLFUSA-N	408.970	4.591	50	20	HJGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)cc1C	1800791049	HWUSFHHHEVPXIU-XFMPKHEZSA-N	417.764	4.571	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1	6086119	XXXYLAOZQSUGQE-VCHYOVAHSA-N	417.461	4.884	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1	7258235	CCPMKMIXIPLZOB-INIZCTEOSA-N	421.566	4.841	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)c1ccc(Cl)cc1Cl	15811221	MRPZBAOVCXNVEM-UHFFFAOYSA-N	421.255	4.786	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	28911559	YLWFUSBKRVTATF-UZUMKDMXSA-N	422.891	4.817	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	207056184	GFCLLHWHKVEDAE-GHRIWEEISA-N	424.460	4.629	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OCc1cccs1	213280126	RXIHJWZMIOIUSN-ATVHPVEESA-N	406.511	4.718	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C/C=C/c3ccccc3)cc2)n1	252457531	PDSWTELKLXMJOF-ZVUAKRATSA-N	402.523	4.815	50	20	HJGD	
C[C@@H](Oc1ccc(F)cc1Br)C(=O)NNc1cccc(C(F)(F)F)c1	727759223	SXSJNSUPQCDUEA-SECBINFHSA-N	421.188	4.518	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)c1cc(Cl)cc(Cl)c1	728158304	NOMNQNSOZAQTHS-DXNYSGJVSA-N	412.232	4.902	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)cc1	728553168	BSMAIVUQFVKPNO-ZHZULCJRSA-N	420.509	4.639	50	20	HJGD	
Cc1ccc(C(N)=O)cc1OC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	728843156	KEIPWJQFFXYTRA-NDENLUEZSA-N	405.498	4.530	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2csc3ccccc23)c1C	729957991	AHKRVGMJTWBDSL-QUYZQLMHSA-N	407.539	4.750	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2ccccc2OC2CCCC2)cc1Br	731934639	FUEOEWVLCPQKSM-UHFFFAOYSA-N	417.303	4.543	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1ccc(Br)nc1	732835201	WLCZOOUVDDCUMX-UHFFFAOYSA-N	423.723	4.686	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](N3CCCC3)CC2)c(C)n1CCC(C)C	737691191	INADSVOTFRMALR-PSJJOBAMSA-N	410.606	4.535	50	20	HJGD	
CCc1noc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	741819317	FLCZADBMHSEYGF-HAKPAVFJSA-N	424.888	4.904	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1	743819908	KHQJRYVTKQOXCT-HZPDHXFCSA-N	408.354	4.732	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)NNc1ccc(Cl)nc1)c1ccccc1Cl	745842979	WIRRORWQHKMHEY-IBGZPJMESA-N	417.296	4.813	50	20	HJGD	
CC(C)(C)OC(=O)Cc1ccccc1NS(=O)(=O)c1ccc(CCCCl)cc1	745978906	VIQAMGOKCJBUAI-UHFFFAOYSA-N	423.962	4.543	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(-c3nc4ccccc4s3)o2)o1	746490946	UFOKGAQWOGZUHV-UHFFFAOYSA-N	422.510	4.755	50	20	HJGD	
CCOCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)ccc1OC	747612930	NNHKYHPEDIVAIQ-XNTDXEJSSA-N	415.287	4.540	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1	748001682	BPPQEUMJTYWGLZ-UHFFFAOYSA-N	414.421	4.576	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2SCc2cn3ccccc3n2)c1	748913217	WKALQJVHLWDPSR-UHFFFAOYSA-N	422.485	4.531	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1C	753262223	MUMHVVCRICHCMT-UYRXBGFRSA-N	419.447	4.792	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	755852071	DMBNGBHFNQEIJF-UHFFFAOYSA-N	423.260	4.956	50	20	HJGD	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)cc1	755855595	ZWGLDHZWSIINMM-UHFFFAOYSA-N	422.363	4.722	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(F)c1	757918805	GTAUJCQFTQWTRV-NTEUORMPSA-N	408.351	4.711	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	762724444	QZRWHCGZWYMBRV-ZJUUUORDSA-N	412.302	4.740	50	20	HJGD	
CC(=O)c1cc(F)c(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(F)c1F	763538357	ARVJAFGNOFEUPS-APSNUPSMSA-N	417.431	4.927	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1	767094460	VNTRPHFSAJNVPY-LLVKDONJSA-N	417.225	4.637	50	20	HJGD	
COCCOc1ccc(Cl)cc1C(=O)NNc1c(Cl)cc(F)cc1Cl	768007433	KDYBQRDUIJFSSU-UHFFFAOYSA-N	407.656	4.568	50	20	HJGD	
O=C(NNC(=O)N[C@H]1CCCc2sccc21)Nc1ccc(-c2ccccc2)cc1	768518468	UVGVACYZODPPRY-IBGZPJMESA-N	406.511	4.828	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1ncccc1C(F)(F)F	770401227	IMNZWOQMIWPDDX-UHFFFAOYSA-N	420.460	4.948	50	20	HJGD	
CN(C)c1ccc(-c2cncc(C(=O)NNc3cccc(C(F)(F)F)c3)c2)cc1	771544741	IZQFXLYNYFGGQT-UHFFFAOYSA-N	400.404	4.590	50	20	HJGD	
CC(C)OCCOCc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1	775572656	SOOFAKSQGZGXFN-UHFFFAOYSA-N	411.424	4.796	50	20	HJGD	
O=S(=O)(Nc1cccc2c1OCCO2)c1cccc(S(F)(F)(F)(F)F)c1	777613573	SPFVGPULDLPFCG-UHFFFAOYSA-N	417.377	4.916	50	20	HJGD	
COc1ccc(NNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nc1	782017820	AWSFNIOWGFUNPI-SFHVURJKSA-N	407.861	4.548	50	20	HJGD	
CO[C@H](C)c1nc(COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cs1	782069596	IUQQBBMTURHGMR-LQZLHMKNSA-N	401.532	4.575	50	20	HJGD	
C[C@@H](CCc1cccn1C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782979570	INLFHXLNDBCWPM-LBPRGKRZSA-N	418.453	4.982	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(/C#N)C(=O)c3c[nH]c4cc(F)ccc34)cnc12	783706030	NQPAHJBAILSAGF-XGICHPGQSA-N	423.245	4.816	50	20	HJGD	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)NNc1c(C)cccc1F	793840370	ZXKWWBZWJLQIJU-UHFFFAOYSA-N	418.266	4.871	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)C1CCOCC1	794958461	LUBSGTIFNQANTP-LFIBNONCSA-N	412.829	4.943	50	20	HJGD	
CC(C)CNC(=O)/C(C#N)=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	797333626	UHSRXINSONSNKP-OVCLIPMQSA-N	416.308	4.925	50	20	HJGD	
Cc1c(C(=O)NNc2cc([N+](=O)[O-])ccc2Br)sc2cccc(F)c12	800618592	CALIINTWPCHJJC-UHFFFAOYSA-N	424.251	4.776	50	20	HJGD	
Cc1cc(C(=O)NNc2c(Br)cccc2Br)c(C)s1	801502896	CKUPEBTXOXOETH-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
COCCCn1nccc1/C=C(/C#N)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12	801647312	JJJMADAGNPMPOP-JZJYNLBNSA-N	424.504	4.868	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(C(F)F)cc1	804208941	FHXVSVMLBAVXNX-UHFFFAOYSA-N	408.330	4.857	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1c(F)cc(C(F)(F)F)cc1F	810536567	UOLQDPGZTKWWKA-UHFFFAOYSA-N	400.225	4.639	50	20	HJGD	
N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(OCCBr)c(Cl)c1)C2	811697339	ZSKWSECLMFPSIU-VIZOYTHASA-N	402.675	4.808	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCCC(F)(F)C2)c(C)n1C[C@@H]1CCCO1	814131733	KPADZBZURIFTTG-GDLZVWPASA-N	419.516	4.523	50	20	HJGD	
CC(C)c1cnc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1	814695429	BDEOLCSEPIUHII-UHFFFAOYSA-N	401.495	4.641	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](c2ccccc2)C2CC2)c(C)n1C[C@H]1CCCO1	817089449	HFSPLGRERLESGB-PCELIYQRSA-N	417.553	4.501	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2	830556573	HJVAQJSMVBDUNE-YPKPFQOOSA-N	421.522	4.953	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNc3ccc(Cl)cc3)cc12	866013397	PSCMQDGYGKXVPY-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)c1sc2cccc(C)c2c1Cl	871180206	YWQNRZYBFRRGQY-UHFFFAOYSA-N	405.932	4.503	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNc3ccc(F)cc3F)cc12	876993686	NEDCVVFDHWVTNS-UHFFFAOYSA-N	402.401	4.570	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc(C(C)=NNC(=O)Cc2cccc3ccccc23)cc1	914773428	HKWZUDJIVDPEIG-UHFFFAOYSA-N	416.525	4.796	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c(C)n1CCC(C)C	916844313	YZJGRGYEFCLQOF-NNVROAHOSA-N	413.525	4.821	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cs1	917561793	OEIQLJZSTYUUDY-WJDWOHSUSA-N	420.469	4.821	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCCc2ccc(Cl)c(Cl)c2)c(C)c1	918688588	GBQWLYVUHCZSHE-UHFFFAOYSA-N	410.370	4.951	50	20	HJGD	
COc1ccc(OCc2nc(C=NNC(=O)c3ccc4ccccc4c3)cs2)cc1	920375168	PUFOAJZZZVHGEG-UHFFFAOYSA-N	417.490	4.648	50	20	HJGD	
COc1ccc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1-c1ccccc1	1251558794	GKGNVCQKAHVZMH-UHFFFAOYSA-N	415.276	4.744	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C4CC4)on3)CCC2)cc1	1786442544	OVGHGPUIMDUTRO-QGZVFWFLSA-N	415.921	4.707	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1	1790493191	DFZCPUGHEKVAAQ-MGPUTAFESA-N	409.357	4.713	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2F)CC1	1824728127	XGAWCLDXJLKGIY-WBVHZDCISA-N	414.974	4.528	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1	1824855720	NRSLAVQXGYXECG-PWRODBHTSA-N	422.972	4.724	50	20	HJGD	
CC(=O)Nc1cccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	45257568	SNNHBVYDYCTDSH-SXOHWRJOSA-N	406.530	4.504	50	20	HJGD	
CC(C)NC(=O)Nc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)cc1	71946552	RVBCDVCYGLLYET-UHFFFAOYSA-N	402.498	4.568	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)N[C@H](c1ccc(F)cc1)C1CCC1	729614956	REDZCGZRXARGDU-KRWDZBQOSA-N	410.276	4.618	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCO[C@@H](c3ccccc3)C2)c1C	729835458	MSFQQJSEPVPTSD-VOGGAGISSA-N	405.542	4.802	50	20	HJGD	
O=C(CCc1ccccc1O)NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	729934906	UKZBHCXIISRZLQ-UHFFFAOYSA-N	419.428	4.617	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1)c1ccccc1F	729944448	OAMRJALRGNVYHK-LJQANCHMSA-N	414.889	4.774	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cc2sc(Nc3ccccc3)nc2s1	730287063	AKVPHIOFZLOPPZ-UHFFFAOYSA-N	417.519	4.828	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cc2c(s1)-c1ccccc1OC2	732977820	TZQKOUKSVYOKKM-UHFFFAOYSA-N	424.869	4.768	50	20	HJGD	
Cc1nc(-c2c[nH]c(C(=O)NNc3ccc(Br)cc3Cl)c2)cs1	733805442	ITXCUDAPFLNCAK-UHFFFAOYSA-N	411.712	4.619	50	20	HJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1nccc2ccccc12	740760173	MKQBBKGQMKGOOS-UHFFFAOYSA-N	402.281	4.851	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccc2cccnc12	747424729	JECWFYTUOCXGIR-QFIPXVFZSA-N	413.502	4.529	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2Cl)o1)NNc1ccccc1Br	748068912	UNUOACRIIZNUEV-UHFFFAOYSA-N	420.694	4.833	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccc(F)cc3Br)o2)cc1	748074721	OUULUDFRTFRHEA-UHFFFAOYSA-N	417.234	4.808	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1c[nH]nc1-c1cccc(OC(F)F)c1	752810511	ROHLTPIIHQGBTM-UHFFFAOYSA-N	413.211	4.742	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1Cl	753298969	KCIMVGKZIBRHRH-UHFFFAOYSA-N	400.869	4.972	50	20	HJGD	
C[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1nc2ccccc2s1	754702772	PMYLPDHFEVPTMU-SFHVURJKSA-N	406.491	4.961	50	20	HJGD	
Cc1cc(C)cc(COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1	761417620	JUSRHVZQQBEENO-HYARGMPZSA-N	410.477	4.731	50	20	HJGD	
C[C@H](C(=O)NNc1ncccc1C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1	762247575	MOPIIDGBWFLMKH-AWEZNQCLSA-N	413.399	4.578	50	20	HJGD	
CS(=O)(=O)c1ccccc1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762518001	LMJRFVHDACWJTO-UHFFFAOYSA-N	401.378	5.000	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)cc3c2OCC3)c(C)c1	764887485	MXLKPVHGXYCMRG-CAOOACKPSA-N	411.299	4.855	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)NNc1ccccc1C(F)(F)F)c1ccco1	769203622	SAIPNHFKXXVAPA-GOSISDBHSA-N	405.376	4.723	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)CCc1nc2cc(Br)ccc2s1	771693113	PQEPRFOBVNHQHQ-UHFFFAOYSA-N	408.296	4.582	50	20	HJGD	
COc1cc(/C(C#N)=C\c2cn(-c3ccc(Cl)cc3Cl)nn2)ccc1[N+](=O)[O-]	774560728	NRYABKVCZWVEJL-SDQBBNPISA-N	416.224	4.555	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1C	774811540	POERNCWHFKCCNA-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)/C(=C/c1ccc(F)cc1)c1cccs1	775249154	FKWCLRMXHXVBDY-XNTDXEJSSA-N	407.392	4.985	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc2nc(-c3ccccn3)oc2c1	775719193	MSULNMSWKZCQSC-UHFFFAOYSA-N	415.240	4.740	50	20	HJGD	
C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	776065920	KJYHOIKERPEZIQ-ZBEGNZNMSA-N	408.873	4.705	50	20	HJGD	
O=C(O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	776521214	MOBQDLRFBRLTIA-XYPYZODXSA-N	423.425	4.513	50	20	HJGD	
C[C@](O)(CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1	777964000	NIOMHCXKDHVECP-HNNXBMFYSA-N	417.421	4.530	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccccc3COc3ccccc3)c(C)cc2c1	778476461	OBXVQAXDJDJWGB-UHFFFAOYSA-N	413.477	4.888	50	20	HJGD	
C[C@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1cccc(N2CCCC2)c1	779629844	MMNHPCZRCMNSTK-AWEZNQCLSA-N	408.424	4.573	50	20	HJGD	
COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782911712	ZMFMAWUGXMUNFH-UHFFFAOYSA-N	420.381	4.568	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1Cl)C(=O)c1ccc(OC(F)F)cc1	789147159	GCPQJLQIPWQYHY-MHWRWJLKSA-N	413.811	4.976	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cccc(Oc2ccc(Cl)cc2)c1	803428963	JNLQIXZKKWTVOQ-UHFFFAOYSA-N	405.841	4.731	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1	877255582	YHGQHPBGUFVQQQ-FYJGNVAPSA-N	412.493	4.907	50	20	HJGD	
Nc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3Br)s2)cc1	912777523	FAEAJQRUICQDGJ-UHFFFAOYSA-N	400.301	4.524	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2noc(-c3ccsc3)n2)c(C)n1CCC(C)C	913262112	VTCBCPGJFMHJRN-VXLYETTFSA-N	424.526	4.913	50	20	HJGD	
CCN(Cc1ccc(Cl)cc1)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	914502222	UUONPTAEGWLFGN-KKJJZKEWSA-N	413.949	4.921	50	20	HJGD	
COc1ccc2cc(C=NNC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)ccc2c1	916284964	JNMJCKPVNTZKTP-UHFFFAOYSA-N	423.687	4.550	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)c2ccccc2c1=O	916326111	ZWGKVNRQHPHFNY-MSOLQXFVSA-N	408.546	4.663	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1c(-c2ccccc2)nc2sccn12	917033497	HXFNBPNXTFDGCH-SSZFMOIBSA-N	400.463	4.617	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc2ccccc2cc1NC(=O)C1CC1	932532650	JDQYLWSZHGONHF-UHFFFAOYSA-N	424.298	4.708	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3ccc(C(C)(C)C)nn3)cc2)cs1	1318639120	FEHQOMDTPPFKLD-UHFFFAOYSA-N	413.572	4.588	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(O)c(Cl)c1	1322868788	HHEKBROLPNRJON-UHFFFAOYSA-N	420.208	4.631	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(COc3cc(C)cc(C)c3)o2)c1C	1323869405	ZJAJGQVQUVGIHZ-PGNNWUFWSA-N	420.513	4.955	50	20	HJGD	
CC(C)(C(=O)NNc1ccnc(Br)c1)c1ccc(Cl)c(Cl)c1	1342844899	ZFJDBUPLLQRSKJ-UHFFFAOYSA-N	403.107	4.572	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)c(C)n3)CCC2)cc1	1786443308	FFTDKUBBYNEFPQ-IBGZPJMESA-N	413.949	4.854	50	20	HJGD	
C[Si](C)(C)OCC(=O)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1	1789648451	DOFNFABJWZETEV-UHFFFAOYSA-N	402.611	4.552	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CCC1	1790222252	VDZDDPINOBLDNR-OAHLLOKOSA-N	406.860	4.730	50	20	HJGD	
Cc1cccc(C)c1C(=O)Nc1ccc(C2(NC(=O)CO[Si](C)(C)C)CCC2)cc1	1790712879	PGUQIJBLHAOZIV-UHFFFAOYSA-N	424.617	4.903	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)[nH]n1	1815322083	LDYFIEOQNQVEBC-PKOBYXMFSA-N	416.953	4.740	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Cl)CC1	1829895514	ZDZAIDBYHWJVOK-MJGOQNOKSA-N	411.373	4.591	50	20	HJGD	
N#CC1(C(=O)N2CC3(CCCN3C(=O)CCCCCCCCCCCl)C2)CCC1	1845125270	IPWHKXSOOFYYHH-UHFFFAOYSA-N	422.013	4.633	50	20	HJGD	
C[C@@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)C(C#N)=C1Nc2ccccc2N1	105027700	OYPJCHCHYGQXAZ-CYBMUJFWSA-N	421.913	4.848	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)cc1	212165175	QNDYUYQYSVRELN-HKWRFOASSA-N	411.461	4.726	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccccc1CSC1=NCCS1	215789673	DAXVDZQTFWBYGU-UHFFFAOYSA-N	411.474	4.798	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCc3cscn3)c2)cc1	725733065	SUVSTZZQEXUTCM-YVLHZVERSA-N	405.479	4.666	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccc(-c2ccc(OC(F)F)cc2)s1	730288335	DKLXYLHHPKBJLL-UHFFFAOYSA-N	411.433	4.744	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1	730596572	BSTFANHGXRWOEQ-UHFFFAOYSA-N	424.595	4.713	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccc1	732133202	SPRAIDFQWWOSKA-IPMKNSEASA-N	419.550	4.687	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(F)cccc1F)c1cccc(NC(=O)c2ccccc2)c1	735755418	FDIKVSLPISLIFL-CQSZACIVSA-N	410.424	4.604	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1cccc(-n2cccn2)n1	736462672	YDGJSRMBDTXFJH-MRXNPFEDSA-N	412.824	4.739	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(Br)c1	741767436	IVCSNBLJUFLRAG-UHFFFAOYSA-N	405.601	4.885	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CCC#N)Cc2cccnc2)c(C)n1C1CCCCC1	741936384	JCETYZCWVOSONS-HAHDFKILSA-N	415.541	4.855	50	20	HJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)ccc1OC	747033983	MRXNQJSCZAVFDE-CXUHLZMHSA-N	411.527	4.950	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1F)c1ccccc1C(F)(F)F	748190553	DXBQPBODFVEKKD-VIFPVBQESA-N	405.189	4.854	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3ccc(OC(F)F)cc3)ccc2n1-c1ccccc1	748654728	ZOCWUSOQXILVHG-UHFFFAOYSA-N	408.408	4.692	50	20	HJGD	
CC(C)Oc1cc(Br)cc(C(=O)NNc2cccc3cnccc23)c1	748767587	TTYQRJSFELLXOL-UHFFFAOYSA-N	400.276	4.541	50	20	HJGD	
CN(C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1)C1CCCCC1	750807780	ITHYGWLCISXCPI-CYVLTUHYSA-N	405.473	4.776	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c[nH]cc1-c1ccc(F)cc1	753169372	IUFMKCLPEITATH-UHFFFAOYSA-N	402.267	4.903	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(C#N)c(Cl)c2)cc1NC(=O)OC(C)(C)C	753296849	DNEARKGZWNXCFR-UHFFFAOYSA-N	400.866	4.624	50	20	HJGD	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)Cc1ccc(F)cc1	754714542	UYJRQZZXNWKFPG-UHFFFAOYSA-N	412.896	4.540	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc(Br)cc(C(F)(F)F)c1	756772196	GDKLFHGRZYWLQN-UHFFFAOYSA-N	416.222	4.835	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(C#N)CCC2)c(C)n1-c1cccc(C(F)(F)F)c1	760587603	MDMKAIBQMJZCDJ-LICLKQGHSA-N	412.415	4.582	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H](Cn2ccnn2)C1	762966924	ANYYZNICEGQJHF-LBPRGKRZSA-N	411.400	4.880	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1	765981830	LFRKKSJOVXEOMO-ZSOIEALJSA-N	408.395	4.699	50	20	HJGD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNc1c(Cl)cc(F)cc1Cl	767406305	CZPIQABCZHWNRS-KRWDZBQOSA-N	408.260	4.540	50	20	HJGD	
COc1ccccc1CCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772815755	MGPWAEQIJCGWNY-UHFFFAOYSA-N	424.391	4.650	50	20	HJGD	
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NNc1c(Cl)cccc1Cl	775477199	HGYRBWFKJPLWFK-UHFFFAOYSA-N	407.301	4.686	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)NNc2ncc(Cl)cc2Cl)cc1	775606710	RNXDGLRWNBHXDW-UHFFFAOYSA-N	412.277	4.884	50	20	HJGD	
COc1cc(O)cc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777648789	YFGMHBOUHYMXPL-UHFFFAOYSA-N	405.366	4.859	50	20	HJGD	
CC(C)Sc1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1Br	779140556	MQZUNBCYSLEWJB-UHFFFAOYSA-N	410.293	4.615	50	20	HJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)Nc1nc(-c2ccncc2)cs1	779797899	LHXAYGJQTSQLJU-GDNBJRDFSA-N	410.886	4.803	50	20	HJGD	
COC(=O)c1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782909662	BVAWIDSZEBKVAD-UHFFFAOYSA-N	417.377	4.931	50	20	HJGD	
CC(C)(C)N1CCC(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782982593	KAWMFOUCRWXZIX-UHFFFAOYSA-N	422.485	4.885	50	20	HJGD	
CCCCOc1ccc(-c2nnc(COC(=O)/C(C#N)=C\c3ccccc3)o2)cc1	785377957	JEOLLUIRBCLEBO-RGEXLXHISA-N	403.438	4.566	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cccc(I)c2)c(C)c1	789126976	JHIJGMFRXZYZNV-SXGWCWSVSA-N	416.262	4.762	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1	792633732	OSWQMPOVXZBNMN-JCMHNJIXSA-N	421.522	4.627	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1C(F)(F)F)c1ccc(O)c(Cl)c1	794511561	FDGHIILDKNCSCW-UHFFFAOYSA-N	421.600	4.591	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(/C#N)C(=O)Nc1c(Cl)cccc1Cl	797397885	IBMKKMJKFGTEHB-QBFSEMIESA-N	413.264	4.733	50	20	HJGD	
CCOC(=O)Oc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	799855171	XHPOULRKACRDAM-UHFFFAOYSA-N	403.649	4.939	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@@H](CCc1ccccc1)c1ccccc1	806464622	JNWFWHOEECOJSH-QHCPKHFHSA-N	412.493	4.528	50	20	HJGD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)s1	808109059	MWSHPDDTKMLJHZ-UHFFFAOYSA-N	423.410	4.560	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	849210253	MKVRHIFYJGBCEO-ZSOIEALJSA-N	422.790	4.756	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2ccccc2[N+](=O)[O-])c(C)n1C1CCCCC1	886317788	AJZUIOCAYZKGPR-AQTBWJFISA-N	407.474	4.569	50	20	HJGD	
CCOc1ccccc1C=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	916273105	QFRCKEVVCOYSHK-UHFFFAOYSA-N	404.495	4.558	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)cc2)n1	916295459	WKYZPZWAFLUVQH-MHTWAQMVSA-N	420.582	4.928	50	20	HJGD	
COc1ccc(F)cc1[C@@H](C)NC(=O)NNc1nc(Cl)c(Cl)cc1Cl	916591700	DXLVNGPIGLHPDK-SSDOTTSWSA-N	407.660	4.577	50	20	HJGD	
CCCCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(Br)cc2)c1C	917144159	AXTPLJPWOFCGSV-RVDMUPIBSA-N	402.292	4.502	50	20	HJGD	
CCCOc1c(Br)cc(C=NN(C)C(=O)OC(C)(C)C)cc1OCC	920381161	LQBZLQCIWINZRN-UHFFFAOYSA-N	415.328	4.837	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(Oc2ccc(Cl)cn2)cc1	1320719983	NXBFKKVLBHICMA-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(C)n(-c3ccccc3OC)c2C)n1	1324230222	BRYJARPKNLDXBB-GZTJUZNOSA-N	407.495	4.800	50	20	HJGD	
Cc1cc(Cl)ccc1OCCCc1nnc(/C(C#N)=C/c2cc(C#N)n(C)c2C)o1	1328174999	OSZWASZPHDDKDY-LICLKQGHSA-N	421.888	4.626	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3)CCC2)cc1	1786441766	BDFWFWAEVVBVHB-QGZVFWFLSA-N	420.340	4.890	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H]3C)cc2)CCC1	1789207067	VOCZGSLJXDLMCJ-RKVPGOIHSA-N	421.379	4.588	50	20	HJGD	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@](C)(Cl)CCl)cc2)CCC1	1790495104	SQXKICPDWVRHMC-FQEVSTJZSA-N	409.357	4.550	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C)CCCCC2)n[nH]1	1822328369	PWHVVBHIJVSTNJ-NVXWUHKLSA-N	408.974	4.780	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cs1	7163663	SCXVQVSALFTEEA-LDADJPATSA-N	416.506	4.990	50	20	HJGD	
Cc1noc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)n1	29136578	SHFQJDSGLPUQDL-UDWIEESQSA-N	412.449	4.589	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c(Br)cc1O	72042019	IOLGAPDXRUOUPH-DHDCSXOGSA-N	423.266	4.862	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CCOC)c2nc3ccccc3s2)c1C	206154033	AUXNWMVKITZHMK-XMHGGMMESA-N	422.554	4.711	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/C1=Cc2cc(Cl)cc(Cl)c2OC1	207874366	UYVFAXCQKKTXMT-VGOFMYFVSA-N	401.249	4.866	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	301218252	MSJVGHPLEKHITH-VDQHWBOFSA-N	417.269	4.882	50	20	HJGD	
CN1/C(=C(\C#N)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)Nc2ccccc21	302764813	BHQNOGYITYTZCJ-LFIBNONCSA-N	424.835	4.712	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	728176312	SHFOAPTYLHDIGW-RIYZIHGNSA-N	400.335	4.576	50	20	HJGD	
COc1cc(C=NNC(=O)c2cccc3ncccc23)ccc1OCc1cccs1	730146842	HDPYRGCDHRWHFX-UHFFFAOYSA-N	417.490	4.648	50	20	HJGD	
CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)NNC(=O)C(C)(C)C	731502596	MZODGRNKXFYYKE-UHFFFAOYSA-N	411.424	4.574	50	20	HJGD	
Cn1c(-c2ccccc2)c(C=NNC(=O)c2cnn(-c3ccccc3)c2)c2ccccc21	733078267	JNZSTSPFRMIAFM-UHFFFAOYSA-N	419.488	4.795	50	20	HJGD	
CCc1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)on1	741191736	UXTNSZDLEIJLRC-YVLHZVERSA-N	408.889	4.521	50	20	HJGD	
COCc1ccc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1	741756252	CDRSRXHULNDFDR-UHFFFAOYSA-N	408.885	4.829	50	20	HJGD	
Cc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1[N+](=O)[O-]	742005578	BLUDDTLFSGEGKP-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
COc1ccccc1-c1ccc([C@H](C)NC(=O)NNc2cccc([N+](=O)[O-])c2C)cc1	745856736	KSAPCTCVXHMATD-INIZCTEOSA-N	420.469	4.966	50	20	HJGD	
C[C@@H](CCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	749875066	SHODHTBLSDXDMP-UZXYXVAJSA-N	423.520	4.681	50	20	HJGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	750818030	MWUMBOLMLXCXDG-QGOAFFKASA-N	407.901	4.600	50	20	HJGD	
C[C@@H]([C@@H](C)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCOCC1	752976289	NYNUAGUUXMHUQQ-NEPJUHHUSA-N	403.417	4.575	50	20	HJGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752980959	MFIKTJMNQFFROL-UHFFFAOYSA-N	413.343	4.879	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2cc3cccc(Cl)c3o2)cc1	753429521	VAHLPIREBHXLBV-UHFFFAOYSA-N	403.891	4.505	50	20	HJGD	
CC(C)(C)c1noc(-c2ccccc2C(=O)NNc2cc(C(F)(F)F)ccc2F)n1	754142304	DYLKTFJGPRSAHP-UHFFFAOYSA-N	422.382	4.949	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1	759321070	BTYOTFKVEVQZPQ-UHFFFAOYSA-N	407.467	4.638	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2nc3ccccc3[nH]2)c(C)n1C1CCCCC1	768495721	OQUIAMROWZHDCC-AQTBWJFISA-N	402.502	4.537	50	20	HJGD	
O=C(CCc1ccccc1O)NN=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	771883769	ICWHMYZGGOYVEP-UHFFFAOYSA-N	404.310	4.513	50	20	HJGD	
Cc1ccccc1OCCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772945541	HMSPXOTVCZQTRY-UHFFFAOYSA-N	424.391	4.786	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2sc(-c3ccccc3C)nc2C)c1	773795602	VZUKHJPRDYEIRQ-UHFFFAOYSA-N	414.531	4.506	50	20	HJGD	
COc1ccnc(NNC(=O)c2cc(Cl)ccc2Sc2ccc(Cl)cc2)n1	775524181	CYRCCVXPFPOFKE-UHFFFAOYSA-N	421.309	4.700	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)c1	777465761	HDZSWDKBBDJELP-GIJQJNRQSA-N	411.383	4.749	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccccc3OC(F)(F)F)s2)cc1	779210943	TYRPZPRFEAIPHA-UHFFFAOYSA-N	423.416	4.783	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2OC(F)(F)F)o1	780948729	PXQZWRYLPOKSBR-UHFFFAOYSA-N	407.304	4.510	50	20	HJGD	
CCc1cc(=O)c2cc(NC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)ccc2[nH]1	781433044	VJMXPKZONZEGGX-VXLYETTFSA-N	416.525	4.711	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2cnccn2)c(C)n1-c1cccc(Cl)c1	781822833	PPAJNRGGCJFFIZ-LTKMBJGESA-N	406.873	4.749	50	20	HJGD	
CN(C[C@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782984847	UYGLZMZNXNOSLX-RISCZKNCSA-N	409.442	4.516	50	20	HJGD	
CCn1c2ccccc2c2cc(NC(=O)C(=O)NNc3cc(C)cc(C)c3)ccc21	783359362	NEZBGPBHISDXBQ-UHFFFAOYSA-N	400.482	4.513	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C/c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1	786042769	IQQSBVGRDKGRBJ-LPYMAVHISA-N	405.523	4.514	50	20	HJGD	
COc1cc(NNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)ccc1Cl	790181887	ZYUGADOHIHMLMX-UHFFFAOYSA-N	424.810	4.618	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H](Sc1ccccc1F)c1ccccc1	791076645	RMDJQRGDQYIJCY-LJQANCHMSA-N	415.421	4.850	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F	794955636	YEMRDVNXGQAUPG-UHFFFAOYSA-N	418.534	4.731	50	20	HJGD	
COc1cc(C)c(Br)cc1C(=O)NNc1ccccc1C(F)(F)F	795021790	YFJPITVETGBTEO-UHFFFAOYSA-N	403.198	4.542	50	20	HJGD	
C=C(CBr)COC(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1	795621080	QLNGDPMUVFJGSO-UHFFFAOYSA-N	405.317	4.562	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802005449	INEAAAQUYMCZEM-UHFFFAOYSA-N	422.844	4.517	50	20	HJGD	
O=C(Nc1ccc(CNCc2ccc(OCCCCl)cc2)cc1)c1cccnc1	811477548	VGOQVIOQMFMIGV-UHFFFAOYSA-N	409.917	4.631	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc(-c2ncc3n2CCCC3)c1	812968276	IREFBBLLPFOWPR-UHFFFAOYSA-N	404.499	4.645	50	20	HJGD	
Cc1nn(-c2ccccc2)c2nc(Cl)c(C=NNC(=O)c3ccc(Cl)cc3)cc12	814688187	NUNBWNJMGASVDJ-UHFFFAOYSA-N	424.291	4.800	50	20	HJGD	
COc1cc(C)c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC	817015424	BGPGBTMOLSMMLM-UHFFFAOYSA-N	422.325	4.807	50	20	HJGD	
Cc1ccc(OCc2nc(CC(=O)Oc3cc(C)c([N+](=O)[O-])cc3C)cs2)cc1	899894648	UZGMEZUOIVSLAZ-UHFFFAOYSA-N	412.467	4.704	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1C	914501220	CWMZBBAEZXDBHW-HRGKPLJHSA-N	418.541	4.528	50	20	HJGD	
Cc1ncc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)s1	916506446	GYLWETMKHLBORR-VCHYOVAHSA-N	408.502	4.564	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccc(F)cc3)no2)c(C)n1CC(C)C	916510515	OEKUFRKJWFFGJA-GRSHGNNSSA-N	422.460	4.600	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccccc2OC(C)C)c1C	918818662	XSFBHKOAMQAPRH-YPKZHZFPSA-N	410.514	4.750	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3cccc(OCC#N)c3)c2C)c1	1318514857	ULWMJQNPEJQBOL-HAHDFKILSA-N	424.504	4.528	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc([S@@](C)=O)cc2)c1C	1329737977	IFLYGTJBGGIREC-BBIFGCKVSA-N	417.534	4.686	50	20	HJGD	
CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Br)CCC3)cc2)CC1	1789115172	VVTQTFUFBUUVJU-JKSUJKDBSA-N	419.363	4.650	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1F	1793913653	GNZQVBYMBIYMLG-IVDHNXQLSA-N	414.993	4.732	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc(C#N)n1C	725716436	QCOZKNFTSHZBEM-SXGWCWSVSA-N	417.856	4.592	50	20	HJGD	
Cc1ccccc1-c1cccc(C=NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1	729636086	UNDMMODXQCXHGD-UHFFFAOYSA-N	424.504	4.717	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H](Sc1ccc(F)cc1)c1ccccc1	730284602	OUQUYCRVGQTKCC-LJQANCHMSA-N	420.469	4.852	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](O)c2ccc3ccccc3c2)c(C)n1CC(C)C	731830913	NGXRGHCTKZLSAX-JMROEOJKSA-N	415.537	4.671	50	20	HJGD	
COc1ccccc1C(=O)NN=C(CC(F)(F)F)c1ccc(Br)cc1	731927729	QESJQLIEUABFKU-UHFFFAOYSA-N	415.209	4.544	50	20	HJGD	
CC(C)n1c(S)nnc1[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	732164836	ARIIULIUAUOHLU-HUUCEWRRSA-N	414.666	4.568	50	20	HJGD	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NNc1ccc(Br)nc1	732836545	JYSUVPSDKLZESJ-QMMMGPOBSA-N	421.147	4.775	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCCCC[C@@H]2c2ccco2)c1C	736526924	UHFDRCDLOARRRS-ZNRPDEDHSA-N	409.530	4.956	50	20	HJGD	
Cc1c(Cl)cccc1NC(=S)NNC(=O)Nc1ccc(Cl)cc1Cl	741503860	QZJWFSGOONJOOW-UHFFFAOYSA-N	403.722	4.978	50	20	HJGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	742006006	NDWDHCLTEKGVBM-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c1C	743296568	DBEAESCUDBXXCM-ZDUSSCGKSA-N	409.477	4.834	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)cc1	744501968	KOQLDZIDTDPKQC-HXIHYFNGSA-N	412.489	4.864	50	20	HJGD	
CCOc1cccc([C@H](C)NC(=O)NNc2c(F)cc(F)cc2Br)c1	745785153	OYTZRPZNSYUYOX-JTQLQIEISA-N	414.250	4.513	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccccc2C(=O)NNc2cccc(Br)c2)c1	748019879	ONTIIOCTSPYSCE-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cc1)c1ccsc1	748508686	YPYHNZMNYLJBOP-UHFFFAOYSA-N	405.401	4.776	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1OC	748665971	MGEPLPUNDAITRV-UHFFFAOYSA-N	407.854	4.501	50	20	HJGD	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)NNc1ccc(Br)cc1C	748731455	LHGPGFSUJWMNPQ-UHFFFAOYSA-N	423.380	4.632	50	20	HJGD	
O=S(=O)(Oc1ccc(Sc2ccncc2)cc1)c1ccc(CCCl)cc1	749704082	WSRWMARRVHAYNY-UHFFFAOYSA-N	405.928	4.782	50	20	HJGD	
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NNC(=O)CC1CCCC1	749952042	IHESMSMMNOQSTL-UHFFFAOYSA-N	407.489	4.634	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cnn(-c2ccccc2)c1C(F)(F)F	752813449	WLNJMXNIBAARHW-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(C2CC2)nn1-c1ccccc1	754149583	GVHUCGNJOWQEMN-UHFFFAOYSA-N	404.367	4.665	50	20	HJGD	
COc1cc(C(=O)NN=Cc2sc(Cl)nc2Cl)ccc1OCCC(C)C	755564877	DDBMLSGWAPSOMB-UHFFFAOYSA-N	416.330	4.647	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)Nc1ccc(-c2nc3ccccc3o2)cc1	755582287	CNKJHNUYLJVALC-UHFFFAOYSA-N	412.405	4.708	50	20	HJGD	
C[C@@H](C(=O)NNc1cccc(C(F)(F)F)n1)c1cccc(C(=O)c2ccccc2)c1	762247957	POLLYWHTTWSVJC-CQSZACIVSA-N	413.399	4.578	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)c2ccccc12	765917536	DTFHVEOPPNCEPL-ZDUSSCGKSA-N	406.873	4.680	50	20	HJGD	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NNc2nc3ccccc3[nH]2)c1	768516133	ZLPCXFOMTNSOTL-UHFFFAOYSA-N	403.829	4.637	50	20	HJGD	
CS(=O)(=O)Nc1cccc(CNc2ccccc2S[C@H](Cl)C(F)(F)F)c1	770513217	CIUXPWHUGNTFJS-HNNXBMFYSA-N	424.897	4.890	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@@H](CN2CCCC2)C1	775293942	RESNXIOFDARRQU-BBRMVZONSA-N	421.916	4.856	50	20	HJGD	
CCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1	775512777	BJXZLHBHONSFTQ-UHFFFAOYSA-N	400.788	4.856	50	20	HJGD	
C[C@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	785532860	CTEXZTHZQYXOLG-SUNKGSAMSA-N	409.442	4.514	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c1C	786316216	PKQOVVATRFPUSB-AAWHYMEISA-N	410.465	4.775	50	20	HJGD	
Cc1cc(C)nc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)n1	787322519	LAJDNJLZZZDUCZ-WQRHYEAKSA-N	405.889	4.700	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NNc1cc(Cl)cc(Cl)c1	791714503	JAMJVJLUTLXXPQ-UHFFFAOYSA-N	409.704	4.957	50	20	HJGD	
CC(C)(COCc1ccccc1)NCCP(=O)(c1ccccc1)c1ccccc1	799187461	TVYWIBDNKBYRMK-UHFFFAOYSA-N	407.494	4.586	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)cc2-c2ccnn2C)cc1Cl	801647941	SAUMDCSOSZWBJU-WJDWOHSUSA-N	406.873	4.603	50	20	HJGD	
CC(C)c1noc(Cc2ccc(NC(=O)NNc3ccccc3C(F)(F)F)cc2)n1	801943173	MJDPUFHGFOKTAQ-UHFFFAOYSA-N	419.407	4.951	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccn2)ccc1Cl)Nc1ccc(Cl)cc1	802020383	TWBPIAKXKIGWEA-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1nc(Br)sc1C1CC1	807079359	PBSALYKPMOGIEW-UHFFFAOYSA-N	407.120	4.847	50	20	HJGD	
Cc1c(NNC(=O)c2sc3ccccc3c2Br)cccc1[N+](=O)[O-]	810686258	OSGNZOASYAADED-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
Cc1c(NCc2ccc(OCCCCl)cc2)cccc1C(=O)N1CCSCC1	811469869	ODONLMCRJQZQFK-UHFFFAOYSA-N	418.990	4.804	50	20	HJGD	
Cc1c(C(=O)NNc2ncnc3ccsc23)sc2ccc(Br)cc12	815827850	QUNFUGPXVUBOEX-UHFFFAOYSA-N	419.329	4.734	50	20	HJGD	
COc1ccc(NNC(=O)Cc2csc(-c3ccc(C)cc3)n2)c(C(F)(F)F)c1	816704534	VZDQAUBKXWNPJY-UHFFFAOYSA-N	421.444	4.832	50	20	HJGD	
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NNc1cccc(Cl)n1	817010563	HLDJIVPUAHUOIN-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1	817871025	WDRZIBHXLRHENV-GVIGZQTCSA-N	423.822	4.937	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2csc(COc3ccc(F)cc3)n2)cc1	825248982	NGVXGOVHDYLZES-LICLKQGHSA-N	408.454	4.820	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1	915861829	BKTJIRJMZZZAKY-PTNGSMBKSA-N	404.378	4.662	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(-c3cccs3)nc3ccccc23)nn1	1116096365	LCYRXAKJLXGHEM-UHFFFAOYSA-N	403.511	4.808	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(Oc2ccc(Cl)cn2)cc1	1338303198	XMFRDDSQEAJMOA-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)n[nH]1	1790126618	VFAWRDZTKPZJSL-UHFFFAOYSA-N	416.953	4.546	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1	1790484311	LOFKOXSMAUPGPX-QGZVFWFLSA-N	412.908	4.963	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1	5243809	WVWNMTHMNGEEKD-XQNSMLJCSA-N	410.473	4.675	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(C#N)CC2)c(C)n1-c1cccc2ccccc12	61584303	JBWKKQDUOIKHTQ-HAHDFKILSA-N	408.505	4.917	50	20	HJGD	
O=C(Nc1nc(-c2ccccc2)ns1)NN(Cc1ccccc1)c1ccccc1	65772427	IUPUITXKFGLJDK-UHFFFAOYSA-N	401.495	4.948	50	20	HJGD	
CN1CCC2(CC1)C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1O2	302716776	CIPHKBYCTSOVIV-MJGOQNOKSA-N	420.644	4.805	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3ccc(C)cc3s2)c1C	302901366	XVGFECRCHGZJBA-YQYFLZKSSA-N	408.527	4.776	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCCO2	727264252	PIAPTOYJXGMXOV-GHXNOFRVSA-N	408.763	4.676	50	20	HJGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1	727941047	QJIYQSJGBCLRQF-MRXNPFEDSA-N	412.292	4.864	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)c1oc2ccccc2c1CSc1cccs1	728610378	ZKDDXDAXUXBXID-UHFFFAOYSA-N	402.541	4.984	50	20	HJGD	
Cc1cc(NC(=O)NN(Cc2ccccc2)c2ccccc2)ccc1C(=O)NC(C)C	731281584	PFPZPSMYYBZYAJ-UHFFFAOYSA-N	416.525	4.877	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](O)c2ccc3ccccc3c2)c(C)n1CC(C)C	731830917	NGXRGHCTKZLSAX-RMSJAVSJSA-N	415.537	4.671	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C)c1ccccc1	732001709	VASMEHFRLIPOBF-IBGZPJMESA-N	424.932	4.604	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc([S@](C)=O)c3)c2C)c1	732123334	XCZCLGHEYTXDIY-HHHNJPMXSA-N	417.534	4.686	50	20	HJGD	
Cc1cccc2nc(/C(C#N)=C\c3cnn(-c4ccc(Br)cc4)c3)[nH]c12	735619943	SKWLLOHTOXIHAX-DHDCSXOGSA-N	404.271	4.884	50	20	HJGD	
CC(C)(C)NC(=O)c1ccccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	735753001	OCZIPEULDSDJIS-UHFFFAOYSA-N	416.525	4.958	50	20	HJGD	
CCCNC(=O)NNC(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	741675946	IUGQFLVBLXAURA-UHFFFAOYSA-N	412.342	4.640	50	20	HJGD	
COc1ccccc1-c1ccc(C=NNC(=O)c2cccc(Br)c2)cc1	741770427	SVVUQOYSDUSORE-UHFFFAOYSA-N	409.283	4.889	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc2cc(Cl)ccc2[nH]1	742108299	LUONBMZASZNBTQ-UHFFFAOYSA-N	400.610	4.619	50	20	HJGD	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NNc2ccnc3cc(Cl)ccc23)c1	743295694	AHRNDDJEMUVUEW-UHFFFAOYSA-N	424.932	4.763	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OCCC2CCCCC2)c(-c2ccccc2)n1	744247647	UPOUXNCFLQLRNU-LTGZKZEYSA-N	402.498	4.884	50	20	HJGD	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NNc3cc(F)c(F)c(F)c3)c12	746703748	BARWDUWCJAJIQC-UHFFFAOYSA-N	418.419	4.863	50	20	HJGD	
O=C1CCCN1CC[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)c2ccccc21	751416100	PHJOJIXLYHHUHX-MSOLQXFVSA-N	418.628	4.843	50	20	HJGD	
Cc1noc(C)c1[C@H](C)CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	752293027	GWUYQCXBFOXNNA-LPKQHDGYSA-N	420.488	4.665	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)CCc1c(C)nn(CC(C)C)c1C	753175745	FGYYGMKRQLSSME-UHFFFAOYSA-N	421.383	4.557	50	20	HJGD	
COC1CCC(CC(=O)NNc2c(Cl)cc(Br)cc2Cl)CC1	759183781	RMTYFUHIMXOGCK-UHFFFAOYSA-N	410.139	4.794	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)[C@H](C)c1ccccc1C(F)(F)F	766535387	VRHKKWQZJCFKNB-STQMWFEESA-N	419.403	4.588	50	20	HJGD	
CCC(=O)c1ccc(OC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c(F)c1	766551269	SZMAIOBSWHYTNW-PYIVIEQSSA-N	424.472	4.528	50	20	HJGD	
Cc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)c(Sc2ccccc2)n1	768233132	VQQOLHBFPVQSGS-UHFFFAOYSA-N	410.446	4.773	50	20	HJGD	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1cc(C#N)cc(Cl)n1	768695806	OTVISICQAHSVTC-UHFFFAOYSA-N	422.659	4.634	50	20	HJGD	
COc1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1OCC(F)(F)F	771102476	APJBBKWSOFGLRI-UHFFFAOYSA-N	407.751	4.577	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	780739022	HWMUFEUVPVHFIZ-UHFFFAOYSA-N	421.840	4.547	50	20	HJGD	
CN(C)c1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1	782932422	ZVKXXDKFXGYLDH-UHFFFAOYSA-N	403.398	4.606	50	20	HJGD	
COc1ccc(NC(=O)[C@@H](OC(=O)/C(C#N)=C/c2ccccc2)c2ccccc2)cc1	785347093	VYAGTWVEHCMWAK-UEAVEIDSSA-N	412.445	4.525	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1	789151450	LCMBYLZSWVBTSY-UHFFFAOYSA-N	419.428	4.905	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccc(Cl)cc2)n1)c1cc(-c2ccccc2)on1	794780440	UYQRPFSYSFBGNH-UHFFFAOYSA-N	408.870	4.882	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3nc4ccccc4s3)o2)cc1	797312153	TWMZAFHJGOZTSF-FOWTUZBSSA-N	415.474	4.788	50	20	HJGD	
Cc1ccc(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c(-c2cnn(C)c2)c1	802704529	RVWNTVXPEQNUTC-UHFFFAOYSA-N	411.509	4.567	50	20	HJGD	
O=S(=O)(NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1ccc(S(F)(F)(F)(F)F)cc1	813721945	HCDTVNPWFDFVQT-HUBLWGQQSA-N	421.453	4.564	50	20	HJGD	
O=C(NN=C1CCCC[C@H]1CCCO)c1cn(-c2ccccc2)nc1-c1ccccc1	814703436	CPFNLHVEEVGYCP-IBGZPJMESA-N	416.525	4.588	50	20	HJGD	
CCOC1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCCC1	815066640	AAGABMBNUGRZJV-UHFFFAOYSA-N	409.442	4.972	50	20	HJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1ccc(OCC(F)(F)F)cc1	815855397	PZRLQPKMTOZHKN-UHFFFAOYSA-N	417.225	4.764	50	20	HJGD	
CC[S@](=O)c1ccccc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016515	YRUPWPDLFYDOON-NDEPHWFRSA-N	424.366	4.609	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2noc(-c3ccsc3)n2)c1C	899055968	SEUZOVCSFWCMDA-VCHYOVAHSA-N	410.499	4.667	50	20	HJGD	
COc1cc(C(C)=O)ccc1OCCCC(=O)NN(c1ccccc1)c1ccccc1	915803785	GHPFAXSGPJQICR-UHFFFAOYSA-N	418.493	4.926	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1	918597414	KTPQQRRLQPPJCL-UHFFFAOYSA-N	402.813	4.552	50	20	HJGD	
CN(C)c1cccc(C(=O)NN=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	918709787	WGNRRBSVWQYWTA-UHFFFAOYSA-N	418.444	4.659	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)c1C	919852733	UTZUGTYQCOKORU-FYJGNVAPSA-N	418.497	4.569	50	20	HJGD	
Cc1ccc(NNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1Cl	1115830514	IEYUNQQHKZLFKJ-GOSISDBHSA-N	421.928	4.797	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(COc3cccc(C)c3)o2)c1C	1323866382	HYGUCBHQVZZWRC-PBGVMVHZSA-N	406.486	4.647	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c(C)n1C1CC1	1341433593	XOUZMUQFCKLOEV-UHFFFAOYSA-N	415.419	4.673	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1	1788877073	NOZVCOTUPHIGKV-UHFFFAOYSA-N	409.313	4.946	50	20	HJGD	
Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)ccc1O	1790657761	MFDNUDRHHCYLDF-UHFFFAOYSA-N	414.933	4.713	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(C)s2)[nH]n1	1820861253	VTWJYXZHNFVUJC-AMMZPXFLSA-N	420.966	4.503	50	20	HJGD	
Cc1ccc(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)c1	1823140868	HOVZJJAREOXLSY-GOSISDBHSA-N	416.953	4.597	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1OC(F)F	16388644	TZPIHLQPJWPMDW-XYOKQWHBSA-N	412.314	4.861	50	20	HJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCO2)C(=O)Nc1ccc(SC(F)F)cc1	20620004	FYVJAIAAZGCIHR-VZUCSPMQSA-N	408.813	4.929	50	20	HJGD	
Cc1ccc2nc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)sc2c1	72100113	VTDFQDZTOJJLGO-ZYNFKGNASA-N	420.538	4.748	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	210575431	ZCSZECKUNUYMBC-VMOJBDSFSA-N	408.864	4.758	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2CN(CC)CC)c1C	728306635	JAERFILDSHCLGV-BUVRLJJBSA-N	406.574	4.580	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2C)c1C	729539296	FQXLDFUULQMPCH-IDCRMVTHSA-N	421.541	4.999	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)c(OC(F)F)c1	734095148	LIAPHWCTOXEHIM-UXBLZVDNSA-N	414.227	4.910	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1	737952877	UCJBRFMMEIPAHM-SZGFKLFASA-N	417.553	4.504	50	20	HJGD	
CN(C)c1ccc(NC(=O)NN=Cc2sc(Oc3ccccc3)nc2Cl)cc1	741764816	AAICMLFMOBPLKL-UHFFFAOYSA-N	415.906	4.810	50	20	HJGD	
COc1ccc(C)cc1CC(=O)NNc1c(Cl)cc(Br)cc1Cl	742005586	ZCBVSKAUVPVUSN-UHFFFAOYSA-N	418.118	4.759	50	20	HJGD	
C[C@@H]1C[C@@H]1[C@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1	743540991	XWPDORZYOLMIGN-PUCZYUMASA-N	407.901	4.835	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1	744811438	WGIFDTDADJPWRI-AWEZNQCLSA-N	423.995	4.846	50	20	HJGD	
CC(C)Oc1cc(Br)cc(C(=O)NNc2ccc(Cl)c(F)c2)c1	746700254	HVYPNOPXXYCZKM-UHFFFAOYSA-N	401.663	4.786	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc(OC(F)F)c2)c1C	747919421	AEVXUFJLFQUOKU-GDXCHIGESA-N	418.440	4.564	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1OCC	748005750	MIRNEYQPBGYJAG-UHFFFAOYSA-N	407.854	4.583	50	20	HJGD	
Cc1ccccc1-c1cc(C(=O)NNc2cccc(F)c2)c2cnn(C(C)C)c2n1	748087066	DQSNOVXLMQFOCG-UHFFFAOYSA-N	403.461	4.884	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C	748670944	ZXOXYZNAJBSHEA-CQSZACIVSA-N	405.564	4.826	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccc(Br)cc3C)o2)cc1	748737432	UZLJWDYGGAJOGB-UHFFFAOYSA-N	413.271	4.977	50	20	HJGD	
Cc1noc([C@@H](OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c2ccccc2)n1	750873947	ZGOXPPDMGUATLO-ZAAFRKLLSA-N	418.497	4.692	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Br)cc2C)cnn1-c1ccccc1	752634965	VOCKMHZCUSARSK-UHFFFAOYSA-N	413.319	4.653	50	20	HJGD	
NC(=O)CCC1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762979698	XDCJQORXCAMPOM-UHFFFAOYSA-N	401.401	4.853	50	20	HJGD	
CN(C)c1nc2cc(NC(=O)NN(Cc3ccccc3)c3ccccc3)ccc2o1	766164936	RCJBGILLCFZUMX-UHFFFAOYSA-N	401.470	4.637	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1OCc1ccc(Cl)cc1	771591339	WSGMQGOWNRQACV-UHFFFAOYSA-N	415.808	4.723	50	20	HJGD	
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1c(C)cccc1F	771706447	DZKDNNSINTZYQB-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1csc(Br)c1C	773468487	PSGGKPYYEBXBHD-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
Cc1nc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c(-c2ccccc2)s1	778932458	XUXOSSRUCRYNGV-UHFFFAOYSA-N	407.417	4.817	50	20	HJGD	
COc1ccc(NNC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)nc1	782032243	RKRUHRISWADGLA-UHFFFAOYSA-N	419.416	4.718	50	20	HJGD	
C[C@@H](OC(=O)[C@@H](Br)C(C)(C)C)c1nnc(-c2cccc(Cl)c2)o1	784734060	YYVFIWUWBYIWGX-BXKDBHETSA-N	401.688	4.804	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(COCc2ccccc2)cc1	785254437	OVEJQQCVHJPDBS-OEAKJJBVSA-N	400.453	4.766	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Br)c(F)cc2F)cc1	787324297	IIAADMMHRONSEK-KPKJPENVSA-N	407.214	4.672	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2	787335505	SWWNDWFACBAUDW-BQKWAYIGSA-N	410.473	4.530	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)c(-c2ccncc2)n1	788357033	YNQCBJHYGFKQEN-GZTJUZNOSA-N	421.382	4.667	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C)c1ccc2[nH]ccc2c1	789671993	OQNIZKHQYGGLHR-WCEBZYJUSA-N	404.514	4.754	50	20	HJGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl	789721164	PXNXBTDYBYQGMZ-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791726824	JUYVZFQDGGPIMU-GFCCVEGCSA-N	412.342	4.505	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc(Cl)c3ncccc23)cc1	801159788	VBNHCDJCJNEOGC-UHFFFAOYSA-N	412.946	4.862	50	20	HJGD	
Cc1ccc2cc(C(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)[nH]c2c1	804210277	JBMDAVVERAZANE-UHFFFAOYSA-N	411.387	4.709	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(F)c(C(F)(F)F)cc1F	804466929	RUANJGCWYLCAOV-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
COc1ccc([C@@H](C)NCCP(=O)(c2ccccc2)c2ccccc2)c(C)c1OC	805832257	SXKCEVCDTTUQLV-HXUWFJFHSA-N	423.493	4.677	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc3cc(Br)cnc23)ccc1Cl	806564211	MGQRRNLGRLYNNE-UHFFFAOYSA-N	421.682	4.808	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	814515980	QJDCDCXLHJEKJJ-UHFFFAOYSA-N	420.313	4.831	50	20	HJGD	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NNc2cccc(Cl)n2)cc1	814628432	SZEFTLDHKKMWLP-UHFFFAOYSA-N	409.833	4.556	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1cc(Br)ccc1NC(=O)[C@H]1CCOC1	821634600	OHFCVXHTLCMNSD-ZDUSSCGKSA-N	414.416	4.946	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2	835928545	HPZLZUNORUFYCE-CCEZHUSRSA-N	419.481	4.874	50	20	HJGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	912776559	KLGMFXYKVPYLTG-CPNJWEJPSA-N	417.896	4.897	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(C)n1CC(C)C	914542355	UCOAOIACQJUFNM-VVIXHQMUSA-N	419.569	4.640	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@@H](c1ccccc1)c1ccccn1	915903954	IPAFPJQUIKTNJK-HNNXBMFYSA-N	422.703	4.853	50	20	HJGD	
Cc1cc(OCc2ccc(C(=O)NN=Cc3ccccc3C(=O)O)cc2)ccc1Cl	915907428	MWQMQRCZVKIFKY-UHFFFAOYSA-N	422.868	4.690	50	20	HJGD	
COc1ccc([C@@H](NCCP(=O)(c2ccccc2)c2ccccc2)C2CC2)cc1	917076245	KLASGKRSVWVQNA-VWLOTQADSA-N	405.478	4.750	50	20	HJGD	
O=C(NN=Cc1cnn(-c2ccc(Br)cc2)c1)c1ccc2ccccc2c1	917544855	JGUHJAYFZVZSRC-UHFFFAOYSA-N	419.282	4.552	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1cc(Cl)ccc1OC1CCCC1	1319544659	NOHJPGZWGXGSRJ-UHFFFAOYSA-N	410.699	4.576	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCSC3)CCC2)cc1	1786447936	SMQHARMKOQWRLG-MAUKXSAKSA-N	408.995	4.671	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2cccs2)[nH]n1	1815324784	XJYBGVOIWRXUIG-IJEWVQPXSA-N	422.982	4.675	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C)CC1	1824611117	XAXKGSFCAQDQCN-SFTDATJTSA-N	422.972	4.775	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2)CC1	1824614290	LGYPQTIAVXTSGA-ITWZMISCSA-N	416.993	4.727	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Cl)CC1	1829895486	ZDZAIDBYHWJVOK-IEBWSBKVSA-N	411.373	4.591	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)Nc2ccccc2F)cs1	7156588	YUYXOFMPNUWWTL-RVDMUPIBSA-N	406.442	4.512	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2sccc2-c2ccccc2)c1	16178453	YQAWAKKCTSVVKE-UHFFFAOYSA-N	408.523	4.687	50	20	HJGD	
C[C@H](NC(=S)NNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl	726436906	AFHUKXHSPWVFCL-VIFPVBQESA-N	402.734	4.517	50	20	HJGD	
CSCc1c(C(=O)NNC(=O)c2c(Cl)cccc2Cl)oc2ccccc12	727794434	HLTNLGQGCBRHKL-UHFFFAOYSA-N	409.294	4.677	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccc2)c2nccs2)c1C	728848820	DVWZSWMZUOSMIF-URBQWANRSA-N	404.539	4.784	50	20	HJGD	
CCCCc1ccc([C@H](NC(=O)NNC(=O)c2cccc3ncccc23)C(C)C)cc1	730112758	HNMGYKQWMUOSFM-HSZRJFAPSA-N	418.541	4.919	50	20	HJGD	
CCC(CC)(CNC(=O)NNC(=O)c1cccc2ncccc12)c1ccc(Cl)cc1	730127392	RYGBIKDABMTDRS-UHFFFAOYSA-N	424.932	4.590	50	20	HJGD	
O=C(/C=C/c1cccc(F)c1)NNc1ccc(Br)cc1C(F)(F)F	731479026	NMZHGUVJODJSAL-QPJJXVBHSA-N	403.173	4.764	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(Cl)s1	734007308	PUXDYDGWAOGQGF-JQWIXIFHSA-N	411.980	4.683	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c2)n1	739680625	JGEHKABHQGMVQM-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
Cc1ccc(-c2nc(C(=O)NNc3c(F)cc(F)cc3Br)cs2)o1	741978495	KLUKRHCLQNRLCE-UHFFFAOYSA-N	414.231	4.509	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc(C3SCCS3)cc2)c(Cl)c1	743825289	DRXREYQVSZLZKD-UHFFFAOYSA-N	407.948	4.594	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc(C)c(C)c2C)c1C	744558459	GXDBUVUUTKKQKM-VXLYETTFSA-N	413.543	4.591	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2ccc(C#N)cc2)c1	748104905	NERRUWAMQPBXBZ-UHFFFAOYSA-N	411.440	4.615	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1SC(F)(F)F	748701673	UFYSBBMVAYEXHJ-UHFFFAOYSA-N	410.339	4.997	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(F)F)c2ccccc2)c1C	749138716	XYUIIQRBSRLGLZ-YDDPGSGASA-N	401.457	4.518	50	20	HJGD	
C[C@H]1CN(CCCNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H](C)O1	752980549	QOMNBBJOHKMGGD-BETUJISGSA-N	417.444	4.965	50	20	HJGD	
C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752981171	NHHNADNZIHXDOS-LBPRGKRZSA-N	417.444	4.653	50	20	HJGD	
CN(C)[C@@]1(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCSC1	762978676	ORZSNZHWTFKXHK-CQSZACIVSA-N	405.458	4.903	50	20	HJGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)c1ccc([N+](=O)[O-])cc1Br	765613506	MONGHOWJVHNWBE-BJMVGYQFSA-N	403.623	4.723	50	20	HJGD	
CSc1ccc(C)c(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	766260615	SHOJXOBBYLPNER-UHFFFAOYSA-N	418.733	4.759	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cn(C)nc2C(F)F)c(C)n1C1CCCCC1	770324602	HUQUUXRTHBQNKS-LICLKQGHSA-N	416.472	4.932	50	20	HJGD	
COc1ccc([C@H](CN2CCCC2)NC(=O)CCCC[C@@H]2CCSS2)cc1	770537100	VXFUTNPKRHXQJX-UXHICEINSA-N	408.633	4.662	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	775272733	JJUSIBCILOOMRD-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ccccc1OC(F)(F)F	779201292	YAEFJLLSDKBUJO-UHFFFAOYSA-N	411.380	4.913	50	20	HJGD	
CC[C@H](CSC)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	785086038	UUXJEJICBMNDRQ-LLVKDONJSA-N	406.442	4.883	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1	786040766	RMRQFAFNGACXPN-PDGQHHTCSA-N	420.328	4.717	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc(Cl)c1OC	787151749	QWVBHTDDYHHMAD-FBJMNJBLSA-N	414.889	4.540	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C	788181668	WSSRACKUBBPFIG-UHFFFAOYSA-N	413.497	4.523	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(Cl)s2)c1C	790160626	UKQDDEJOYXWQNY-IREQLNLFSA-N	405.951	4.593	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1c(-c2ccc(Cl)c(Cl)c2)noc1C	798312582	HDYKBZAYWMNMMZ-UHFFFAOYSA-N	419.268	4.732	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc(C)c1F	804211169	HKODWHXZLZYKOL-UHFFFAOYSA-N	404.367	4.675	50	20	HJGD	
CC(C)(C)OC(=O)N1CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)c2ccccc21	810052313	PQDMMBWRFOHZDE-WQRHYEAKSA-N	406.442	4.721	50	20	HJGD	
C[C@@H](C(=O)Nc1cccc(NCc2ccc(OCCCCl)cc2)c1)n1cccn1	811468745	GNFPHHPXUUTTAR-KRWDZBQOSA-N	412.921	4.703	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)n(C3CCCCC3)n2)c1C	811935070	AGAPBCKIAAGJKX-KOMLCTQHSA-N	423.561	4.868	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cs1	812242086	MPDAIHARIRYARL-OQLLNIDSSA-N	405.439	4.504	50	20	HJGD	
COCCOc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	817014657	RWKOQUJFVCJLNL-UHFFFAOYSA-N	422.325	4.506	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccsc2NC(=O)c2ccccc2Cl)cc1	817921111	JFHBAOWNVRPVEK-UHFFFAOYSA-N	415.902	4.809	50	20	HJGD	
C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	844131251	LRTCMBCUFYVPEV-UQGHUHRHSA-N	424.482	4.878	50	20	HJGD	
Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NN(c1ccccc1)c1ccccc1	912592560	QGECXMKEUIUMMK-UHFFFAOYSA-N	413.525	4.696	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2cccc(C(F)(F)F)c2)c(C)n1CC(C)C	912641737	LXCNLIDHKBCBPK-MFOYZWKCSA-N	404.436	4.830	50	20	HJGD	
N#C[C@H](C(=O)CCCC[C@@H]1CCSS1)C(=O)Nc1ccc(F)c(Cl)c1	916938794	MCGGMGWQODHJES-CHWSQXEVSA-N	400.928	4.841	50	20	HJGD	
CC(C)N(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1	920087612	OFQPGKSZCPXULU-UHFFFAOYSA-N	422.465	4.819	50	20	HJGD	
O=C(NNC(=O)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2)c1ccccc1Cl	1251938008	KUABILHRWHTEFD-PONJGIIJSA-N	417.336	4.804	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2oc3ccccc3c2COc2ccccc2)nn1	1321936738	CEQGLPVVSMYYFG-UHFFFAOYSA-N	416.481	4.856	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)nn1	1322919623	YVXBODDXDNZINP-UHFFFAOYSA-N	409.317	4.577	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)c1C	1325537949	BAHXHPQLQONASE-MUIAGPEESA-N	407.562	4.783	50	20	HJGD	
CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)n[nH]1	1786012470	HGRZFGCVRVHKPA-UHFFFAOYSA-N	416.953	4.546	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CNc3ccccc3C)cc2)CCC1	1788110071	IKHYKMGAOWLIMO-LJQANCHMSA-N	413.949	4.558	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820904864	HYUWSJPQZWWRFM-NYQNCTAXSA-N	420.985	4.946	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1	1830011052	SRWFTWMYEYOZPS-NHCUHLMSSA-N	404.982	4.554	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1	16411126	YIQFRWYKSYTIEZ-RCCKNPSSSA-N	412.445	4.598	50	20	HJGD	
CCc1ccc(C(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)cc1	24160359	ARLWFDJLGOBGAQ-ORSZOYQMSA-N	422.525	4.596	50	20	HJGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1	110529867	GFEICIVIENSXRM-QGZVFWFLSA-N	418.946	4.568	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1nnc2n1CCCCC2	211500298	UCIGNJAONIMOKQ-RAXLEYEMSA-N	409.833	4.890	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2c(C(N)=O)oc3ccccc23)c(C)n1CCC(C)C	216086158	WYPFARVHCWFSLI-PDGQHHTCSA-N	418.497	4.542	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1	303498934	MAWXDVXFKYQMNN-GHXNOFRVSA-N	408.788	4.504	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@@H](Sc1ccc(F)cc1)c1ccccc1	730288712	XHBJZKDZIZRFRW-QFIPXVFZSA-N	403.482	4.773	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC3CC3)cc2)c1C	733117712	PGVFPHVOEIOCCL-CTPANLQCSA-N	407.514	4.647	50	20	HJGD	
O=C(NN=Cc1c[nH]c2ncccc12)c1ccc(COc2ccc(Cl)cc2)cc1	741756234	BSPOWYLYOGWRNX-UHFFFAOYSA-N	404.857	4.559	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1cccc2ccccc12)[C@@H](C)c1ccccc1OC	743628998	ZJKFRCPYESXUPW-KRWDZBQOSA-N	405.498	4.676	50	20	HJGD	
Cc1c(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cccc1N1CCOC1=O	743789194	JXVNYBKVDVBDKV-UDWIEESQSA-N	420.513	4.572	50	20	HJGD	
CCc1cnc(COC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)o1	744455110	FAADQSVYFRCAKJ-MFOYZWKCSA-N	409.873	4.948	50	20	HJGD	
C[C@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1	745090990	NVNCDSPLIINLNO-WFVLPUPGSA-N	421.932	4.673	50	20	HJGD	
O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NNc1ccc(Cl)cc1Cl	748009477	MUUDZPDWILVSPW-UHFFFAOYSA-N	422.293	4.531	50	20	HJGD	
O=C(CCSc1ccnc2cc(Cl)ccc12)NNc1ccc(F)c(F)c1F	748216015	RMODPPQYTZWUOH-UHFFFAOYSA-N	411.836	4.931	50	20	HJGD	
CCc1ccc(C(=O)Nc2sccc2C(=O)NNc2ccc(F)cc2F)cc1	748289199	BVTGRKBUXUGJMO-UHFFFAOYSA-N	401.438	4.598	50	20	HJGD	
O=C(NCc1cccc(Cn2cnc3ccccc32)c1)NNc1ccccc1Cl	749220322	LOGUJXJWERWRTB-UHFFFAOYSA-N	405.889	4.564	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](c2ccc(CC(C)C)cc2)c2cccs2)o1	752836894	KZIAQMVBBMBMBU-HXUWFJFHSA-N	411.527	4.582	50	20	HJGD	
CC(C)(CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C1CCCC1	753687541	MLGGJYMGHUHAOE-HMMYKYKNSA-N	415.541	4.703	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(Br)cc2SC)n1	755031313	GWFPFNKAOFMIMZ-WDZFZDKYSA-N	409.330	4.868	50	20	HJGD	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	759972428	AOUQMWIVGHSLIY-GFCCVEGCSA-N	414.811	4.633	50	20	HJGD	
CSc1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)c(Cl)cc1Cl	761571376	IWHOLQHTNGXCDJ-UHFFFAOYSA-N	405.310	4.929	50	20	HJGD	
CCOCCC1(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762668916	NNGUCUSBCLPTIP-UHFFFAOYSA-N	416.412	4.606	50	20	HJGD	
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)NN(Cc1ccccc1)c1ccccc1	765917278	WNBLJOIUYPFVNU-VWNXMTODSA-N	401.510	4.828	50	20	HJGD	
C=CCOc1cn(-c2ccccc2)nc1C(=O)NNc1c(Cl)cc(F)cc1Cl	768011678	DHMJVRIJDDCESG-UHFFFAOYSA-N	421.259	4.640	50	20	HJGD	
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)NNc1c(F)cccc1Cl	771127457	LLOBFRIVRPAHOD-UHFFFAOYSA-N	404.873	4.609	50	20	HJGD	
Cc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Br)c(F)c3)s2)o1	771680651	KUTXOXSWASQDAF-UHFFFAOYSA-N	410.268	4.678	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)NNc3c(F)cccc3F)ccc21	775607007	UGQQYHVPZVLTEA-UHFFFAOYSA-N	418.444	4.801	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3cc(Cl)ccn3)c2C2CC2)cc1Cl	778446773	AOUSLQWRTYYQOB-UHFFFAOYSA-N	402.285	4.517	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3sc4ccc(OC)cc4c3C)c(C)cc2c1	778482696	DZXHRCGSLUDVEC-UHFFFAOYSA-N	407.495	4.840	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@H]1CC=C(c2ccc(F)cc2)CC1	778614606	VQNJKEHXHFDUTJ-QFIPXVFZSA-N	403.457	4.559	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(O)nc3c(Br)cccc23)cc1	780803258	COEPIDBVAYKJCD-UHFFFAOYSA-N	414.303	4.757	50	20	HJGD	
Cc1c(Cl)cc(NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)cc1Cl	784801688	VFHNRMRESWFFTQ-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(C)c1	787460117	GFHSWZHCLMZUPJ-UHFFFAOYSA-N	405.454	4.856	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Br)cnc2Cl)c1C	787954690	GEGDQUMEOARPSZ-AUWJEWJLSA-N	421.726	4.872	50	20	HJGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(Cl)cc1-c1ccccc1Cl	788696045	KDURKJSASJDPSP-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC2(CCOCC2)CC1	790445097	IEJHASRVFYPELU-UHFFFAOYSA-N	421.453	4.925	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccccn2)C2CC2)c(C)n1-c1ccccc1F	790896228	ZSQHTVWCEUIVJV-ZHZULCJRSA-N	414.484	4.726	50	20	HJGD	
Cc1nc2cc(O)nn2c(C)c1CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792548543	RKRFGMRUPVXUAT-UHFFFAOYSA-N	422.379	4.890	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2ccc3c(c2)CC(=O)N3)c(C)n1C1CCCCC1	797351806	TYIGTKABSYMDRK-ODLFYWEKSA-N	403.482	4.617	50	20	HJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)NNC(=O)Cc1cccc2ccccc12	797655539	YFMJMHDWIGPBQE-UHFFFAOYSA-N	410.477	4.606	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1cc(-c2cccs2)nc2ccccc12	805464236	FDFKYKGLMQPQSE-UHFFFAOYSA-N	401.495	4.778	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	806208137	GXALSEFECJTVKY-UHFFFAOYSA-N	419.441	4.613	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2c(C)cccc2C(C)C)ccc1Oc1ccncc1	813047001	LPEZZWVJPAMDHS-UHFFFAOYSA-N	418.497	4.696	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1	817014538	NDHFCJPMFOVQOI-UHFFFAOYSA-N	417.231	4.895	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)cc1	817909177	WYIDSBWWGHXZRT-UHFFFAOYSA-N	406.910	4.929	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1	817915725	RXDAIYHCWIEQBP-UHFFFAOYSA-N	418.522	4.782	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC=C(c3ccc(C)cc3)CC2)c1C	843537269	MRSJAMYPQMOFIK-UQEONJGVSA-N	417.553	4.844	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(-c4nnco4)c3)c2C)cc1	914573523	HOLCTWDNHWHRCM-MTJSOVHGSA-N	423.476	4.998	50	20	HJGD	
CCCCC[C@H](C)NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	915885325	CYWJOYRGZHXMQE-KRWDZBQOSA-N	404.514	4.815	50	20	HJGD	
CCCCOc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC	916152672	CLINRKZOLUMOCA-PDGQHHTCSA-N	405.903	4.866	50	20	HJGD	
CCCc1ccc([C@H](NC(=O)NNc2ccc(Cl)nn2)c2cccs2)cc1	916195262	OGGNDAHBHJFWKK-SFHVURJKSA-N	401.923	4.560	50	20	HJGD	
N#C[C@@H](C(=O)CCCC[C@@H]1CCSS1)C(=O)Nc1ccc(F)c(Cl)c1	916938797	MCGGMGWQODHJES-OLZOCXBDSA-N	400.928	4.841	50	20	HJGD	
CCNC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c(C)c1	917780779	PUSRRMAUZBNAJA-HMAPJEAMSA-N	420.557	4.755	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c(C)c1	917864183	KROILEDPBLVPKC-YJADQXIJSA-N	421.541	4.927	50	20	HJGD	
O=C(NCc1cccc(NC(=O)C2CCCC2)c1)NNc1ccccc1C(F)(F)F	918103290	BHYSMQVGJFIECM-UHFFFAOYSA-N	420.435	4.660	50	20	HJGD	
CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918239814	VRPWLYNASABSEH-BZNIZROVSA-N	410.889	4.929	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccnc2-n2cccn2)c(C)n1C1CCCCC1	918594277	LQGBHMXPQDVWMD-HMMYKYKNSA-N	414.513	4.737	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)cc2)n1	921261305	KJYPSMICVPZSKT-MDWZMJQESA-N	409.433	4.927	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccco3)CCC2)cc1	1786446610	MLLZDKLNNPMZLH-OXQOHEQNSA-N	416.949	5.000	50	20	HJGD	
Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)[C@H](F)Cl)cc4)CCC3)ccc2[nH]1	1788588685	GONRXAIIDPFHKM-IBGZPJMESA-N	413.880	4.758	50	20	HJGD	
Cc1cccc(C)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1	1821187279	ZYJMUDAAXZTVHX-QGZVFWFLSA-N	416.953	4.597	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCc1ccccc1	6341915	GPAWFJHFTNMKBE-CPNJWEJPSA-N	402.425	4.959	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccc(F)cc1	21322823	BFTYQGXGJPRLSC-DEDYPNTBSA-N	423.451	4.678	50	20	HJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)s1	26153433	OAPUXCKRZPWFGB-ZMTLZGASSA-N	406.301	4.663	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2)cc1	207815703	CJNCLRGEJHQCGP-AQTBWJFISA-N	415.424	4.632	50	20	HJGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	208000759	FCHQAAKOGXSSBK-WIJRQFRKSA-N	407.278	4.623	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nc(N)nc(Nc3ccccc3)n2)ccc1Oc1cccnc1	303519346	PJJKZYIABBHJOK-AQTBWJFISA-N	421.464	4.757	50	20	HJGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)s2)n1	725719371	QJDFEQLIQIUYOB-UHFFFAOYSA-N	416.959	4.718	50	20	HJGD	
N#Cc1ccc(Oc2cccc(NS(=O)(=O)c3ccc(CCCl)cc3)c2)cc1	729666581	WCCBSNRUCOAAKZ-UHFFFAOYSA-N	412.898	4.933	50	20	HJGD	
Cc1cc(C)c(NNC(=O)NCC2(c3ccccc3Cl)CCOCC2)c(C)c1	730069793	NYGUBSLFVHNEDS-UHFFFAOYSA-N	401.938	4.640	50	20	HJGD	
N#Cc1ccccc1COc1cccc(C=NNC(=O)c2cc(-c3ccccc3)on2)c1	731314642	PXGYOPMFGGUPCR-UHFFFAOYSA-N	422.444	4.556	50	20	HJGD	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)NNC(=O)c1ccc(Br)s1	732820939	ZMYVCUQTLMZUOY-CQSZACIVSA-N	424.364	4.550	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)ccc1OCc1cccs1	734483920	OQMFOPUSZYPVCC-NDENLUEZSA-N	418.518	4.868	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)c(-c2ccccc2)cc1OC	734484383	WMPAZGZJXSNQQI-LPYMAVHISA-N	412.489	4.903	50	20	HJGD	
CC[C@@H](Cc1cccc(Br)c1)C(=O)NNc1ccc(F)c(F)c1F	735332405	ZHXUZMCCEYIQRV-NSHDSACASA-N	401.226	4.578	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2(c3cccc(Cl)c3)CC2)c(C)n1C[C@@H]1CCCO1	740810732	WTHXXMAFHZLANE-LPRAYXGFSA-N	423.944	4.650	50	20	HJGD	
CCCOc1ccc(C(=O)NN=C(C)c2cccc(-c3ccncc3)c2)cc1OC	741455854	NBNHNVWCUXOSTJ-UHFFFAOYSA-N	403.482	4.700	50	20	HJGD	
CC(C)=CCOc1cccc(C(=O)NNc2c(F)cc(F)cc2Br)c1	741980007	PRSKLBCYHYQFIF-UHFFFAOYSA-N	411.246	4.829	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC(F)(F)F)c1C	741988309	KIPBPGANAFQDQJ-RPJLVFAOSA-N	419.447	4.963	50	20	HJGD	
COc1c(C(=O)NNc2cccc(C(F)(F)F)c2)sc(C)c1Br	743300146	ZVEMUWFWVZRNQX-UHFFFAOYSA-N	409.227	4.603	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)Nc1ccc(Br)cc1Cl	743807687	RKRMVYJBVSRLJD-UHFFFAOYSA-N	409.593	4.665	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c(Cl)c1	745787272	XAYFYIVUPDLWAU-QGZVFWFLSA-N	400.910	4.797	50	20	HJGD	
CC(C)c1csc(/C(C#N)=C\c2cc(Br)ccc2OCC(=O)O)n1	747439789	OHBRCBIQYAAFRG-XGICHPGQSA-N	407.289	4.557	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1cccc(Br)c1	748020632	ZWMMHKWJYWRNGN-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccccc2Br)cn1)c1ccccc1	748065575	FSSVCHLMSUPJFZ-CQSZACIVSA-N	412.287	4.741	50	20	HJGD	
O=[N+]([O-])c1ccccc1CN(CCP(=O)(c1ccccc1)c1ccccc1)C1CC1	749528312	CUNVKNQNANXJIE-UHFFFAOYSA-N	420.449	4.573	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cccc(COc2cccc(F)c2)c1	755857961	BNHNBUAZGKABML-UHFFFAOYSA-N	411.380	4.637	50	20	HJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNC(=S)Nc1cccc(Br)c1	759752882	PBZRUSRRMNLNKK-FLIBITNWSA-N	424.751	4.524	50	20	HJGD	
CO[C@@]1(C)C[C@@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1(C)C	762666955	RUECXOPCEKJZHL-WBMJQRKESA-N	416.412	4.602	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1c[nH]nc1-c1cccc(OC(F)F)c1	763613149	PIEONPZHIBKFBH-UHFFFAOYSA-N	413.211	4.742	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)NNC(=O)CSc2ccccc2O)c(C)c1	763951704	XYWRDYXDCZRUAU-AWEZNQCLSA-N	419.572	4.536	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)OCCO2	773463273	FMHJICOXUKIHJL-UHFFFAOYSA-N	424.347	4.692	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1	773766554	PNPHZLZMMAEDEL-UHFFFAOYSA-N	403.935	4.765	50	20	HJGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)c1ccccc1OC(F)F	775638794	IKELYOXFFOCEDY-XFFZJAGNSA-N	410.279	4.587	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	776632097	DPQKZBHVUZQMNV-UUYOSTAYSA-N	411.436	4.539	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(-c2ccc(C#N)cc2)n1	777870304	RDEYFDLQHZXRJS-NVNXTCNLSA-N	422.275	4.811	50	20	HJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3ccccc3OC(F)(F)F)c12	779206735	BETNQDQAWLFHOA-UHFFFAOYSA-N	420.391	4.879	50	20	HJGD	
COc1ccc(NNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)nc1	782019653	SQMUPYDNFQJEPY-LLVKDONJSA-N	413.330	4.525	50	20	HJGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1	783036159	RIYOBWPLGUCMQE-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cnn(-c2ccccc2)c1C(F)(F)F	785942927	RKAXXIUTMOIJDC-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)ccc1OC(F)F	786055097	ARYAXFUPKRANBI-NVNXTCNLSA-N	406.816	4.563	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)nc(Cl)c2)c1C	787939544	RXXQKBRYYGMFHB-CJTQKWKHSA-N	407.301	4.560	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(NC(=O)OC)c2C)c1C	798055343	BKWICQDBYIZRKN-CPNJWEJPSA-N	408.502	4.937	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)COC(c1ccccc1)c1ccccc1	798142754	QOFUXSFKSUMCBN-UHFFFAOYSA-N	410.905	4.503	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1	798838664	RXJDRYQSYBNFLS-SECBINFHSA-N	405.203	4.577	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1cccc(OCc2ccc(Cl)cc2)c1	805465997	WJCBCYHIIIOOBG-UHFFFAOYSA-N	408.889	4.733	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc(Oc2ccc(Cl)cn2)cc1	806310560	DTILMPPWEKZSCV-UHFFFAOYSA-N	410.865	4.733	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1sc2ccccc2c1Br	810465590	NENPJYBXEVGUDJ-UHFFFAOYSA-N	401.207	4.838	50	20	HJGD	
N#C/C(=C\c1ccccc1I)c1cc(C(F)(F)F)ccn1	812248129	FCZXYVHOQMSUIH-YRNVUSSQSA-N	400.141	4.769	50	20	HJGD	
CCOc1ccc(NNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1	817885850	OMIOZUVXGSHXOZ-UHFFFAOYSA-N	408.683	4.739	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c1C	914486730	ATUDOXNKXDWNNI-HNGNLUIFSA-N	423.557	4.884	50	20	HJGD	
Cc1ccc(C(C)C)c(Oc2ccc(/C=C(/C#N)C(N)=C(C#N)C#N)cc2[N+](=O)[O-])c1	916137999	ATPOFVFAZXRMQP-MFOYZWKCSA-N	413.437	4.986	50	20	HJGD	
COc1ccc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	920169831	LXDXVGXXOSXPBA-KYPNECLESA-N	408.498	4.504	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCc2noc(C(C)C)n2)c1C	920491792	OIAVNANHMSYMFU-YBFXNURJSA-N	404.470	4.559	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNC(=O)c1cc3c(s1)CCC3)oc1ccccc12	920930824	WDFWGPULJGDRAC-UHFFFAOYSA-N	421.478	4.611	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(COc2ccc(F)cc2)o1	932520179	YBOBUFOKJQWXON-UHFFFAOYSA-N	405.223	4.517	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc(C(=O)O)c2)c1	1326915184	JSGHTBWEEJFUIK-MTJSOVHGSA-N	412.445	4.818	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4cccnc34)cc2)CCC1	1788913066	JORWTWZMADCGOL-FQEVSTJZSA-N	421.928	5.000	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccc4[nH]3)cc2)CCC1	1788915807	XATPBILMEWMLFV-QGZVFWFLSA-N	424.932	4.718	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3F)CCC2)cc1	1790489502	DUNQVRVAQVAVJA-MRXNPFEDSA-N	406.860	4.730	50	20	HJGD	
CC(F)(F)C(C)(C)C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791605277	CLROMLUXBMMKGB-UHFFFAOYSA-N	407.288	4.606	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)c2ccccc2)n[nH]1	1815554072	UOBQKZJFXVYHFA-IEZWGBDMSA-N	420.916	4.520	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CO[Si](C)(C)C)CC1	1831465378	MEFDZUFZTLEXQL-FPOVZHCZSA-N	424.702	4.674	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1F	7379496	MNIKDHRXUPBYME-UHFFFAOYSA-N	403.479	4.633	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C	8220834	QLKFLISVRUHPEL-KPKJPENVSA-N	406.269	4.661	50	20	HJGD	
O=C(/C=C/c1ccco1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	15994382	IIVCVEWZXDCLPR-FMIVXFBMSA-N	412.898	4.700	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	17706711	ZWFPMKQSDSBTFF-WFASDCNBSA-N	423.516	4.963	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccc(C)cc3)c2C)cc1	208031338	MABULUZDFSKZMY-STZFKDTASA-N	414.509	4.801	50	20	HJGD	
O=C(NN=C/C=C\c1ccccc1[N+](=O)[O-])c1cc(-c2ccco2)nc2ccccc12	254876920	JIZHASJHRLDHJN-VZQSFYQKSA-N	412.405	4.832	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c(C)n1C1CCCCC1	261399618	PPLLIRNAHNVDLC-BJLUOBIUSA-N	405.546	4.646	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CCc2ccc(-c3ccccc3)o2)cc1	727495580	SCHJTAANJPPLSW-UHFFFAOYSA-N	423.538	4.684	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)C(C)(C)c2ccccc2)c1C	728002713	GLJFMPBMBSKMDQ-FPJLYEHDSA-N	407.558	4.702	50	20	HJGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(-c3cccc(Br)c3)s2)c1	728781788	YSXGPRNBPVMKMJ-UHFFFAOYSA-N	410.296	4.813	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccnc(-c3ccccc3)c2)c1C	732150888	KDGJBWOTJBBNOV-FPJJECCMSA-N	414.509	4.920	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc([C@H]4C[C@H]4C)o3)cc2)n1	732761366	FIAXQGGEDBQNKX-VLIAUNLRSA-N	420.538	4.866	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nn(C)c2Cl)cc1	734753300	RDGKSFDQFFYSQM-SSZFMOIBSA-N	406.873	4.685	50	20	HJGD	
COc1cccc(Nc2ccccc2C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1	736548598	MZLNESCKCBZOCT-UHFFFAOYSA-N	412.833	4.757	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)ccc1OC(C)C	741620902	XWIJOKIGCZPAEH-QCHPHUCNSA-N	421.541	4.925	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cnc(Br)cc2C)c1C	746007593	BZEBLPUECDPPST-SXGWCWSVSA-N	401.308	4.527	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1	746347015	SCQYNGXNPTURNO-GFCCVEGCSA-N	401.860	4.681	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(Cl)c(F)c2)nnn1-c1ccc(-c2ccccc2)cc1	746700574	KTJWSOQNYNATJX-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
Cc1cc(O)c(C(C)C)cc1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	748128949	HUJXRTGRSFGUGQ-IQKNENRKSA-N	421.541	4.967	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1oc2ccccc2c1CSc1ncccn1	748549406	MPFOVCKZASBDBV-UHFFFAOYSA-N	408.458	4.720	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1ccccc1C(=O)c1ccc(Cl)cc1	748773645	WTVLORYOZOLTLY-UHFFFAOYSA-N	401.853	4.876	50	20	HJGD	
CCN(Cc1c(F)cccc1F)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	751215038	GUMLNSZGBYZVDW-YDDPGSGASA-N	415.484	4.546	50	20	HJGD	
COc1cc(C)c(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC	751448927	XRRYMVQLEGHWCC-AUWJEWJLSA-N	412.294	4.657	50	20	HJGD	
Cc1ccsc1C(=O)NNc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1	752036101	SHVKVQQMQWJTFE-UHFFFAOYSA-N	418.522	4.636	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1oc2ccccc2c1CN(C)C	753173064	HLBGXSSNSFNMTH-UHFFFAOYSA-N	416.319	4.576	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(-c3ccccn3)ccc2Cl)c1	754876877	PYUGOWZAHAFCKG-UHFFFAOYSA-N	410.930	4.650	50	20	HJGD	
CCn1ccnc1C=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	755491886	XUVHSDWSKKEHDD-UHFFFAOYSA-N	424.504	4.913	50	20	HJGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)C[C@H]1C	758101175	ZJMRHZWKYHNWNB-NVXWUHKLSA-N	419.481	4.580	50	20	HJGD	
CSc1cccc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1C	766260548	RISMYBXXSJXPBC-UHFFFAOYSA-N	418.733	4.759	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1	767007718	ONVPOTMPDJOETK-QZTJIDSGSA-N	400.320	4.578	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(Br)cc2[N+](=O)[O-])c(C)c1	767716576	DSGWIWGAVZVQHD-NVNXTCNLSA-N	414.259	4.828	50	20	HJGD	
C[C@H]1CCC[C@H]1CC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	769315840	SHFFVSVYYSCYEF-QWRGUYRKSA-N	407.426	4.975	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C	771135085	PHBNNXNNZNERPI-UHFFFAOYSA-N	400.454	4.580	50	20	HJGD	
COc1cc(/C(C#N)=C/c2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccc1[N+](=O)[O-]	774560526	LHIVHCWLGKIMOD-XNTDXEJSSA-N	414.343	4.872	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4cc(Cl)ccn4)cc3)o2)c1	778449947	LDVNJYJZULFWSH-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
CCCCn1ncc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1C(C)C	792271957	OQCYEEDSLCRMBR-UHFFFAOYSA-N	419.529	4.615	50	20	HJGD	
N#CCCN(CC(F)(F)F)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	792660611	ZBQBHGICEQNJBX-UHFFFAOYSA-N	418.331	4.811	50	20	HJGD	
Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NNc2c(F)cccc2Cl)o1	797018989	ZHTVMDVVFNSLCZ-UHFFFAOYSA-N	422.243	4.783	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](c3ccccn3)C2)c(C)n1C1CCCCC1	798717746	JBERZGINGXJNAQ-INKLHFNDSA-N	402.542	4.928	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cscc1Br	803100749	NZLBDHLMLUZIPV-UHFFFAOYSA-N	404.127	4.592	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCCC[C@H]1c1cc[nH]n1	807304718	NETSKMCAUVQMQX-AWEZNQCLSA-N	424.395	4.759	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C	812765712	RZEVCBDGQIXOBT-UHFFFAOYSA-N	407.518	4.552	50	20	HJGD	
C[C@@]12CCN(C(=O)C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)C[C@@H]1C2(F)F	815658476	CRCVXDCBDSMBQX-SMDDNHRTSA-N	420.350	4.786	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cncc(-c3ccsc3)c2)c1C	816255283	PIFCRWRRGZAJSZ-UFFVCSGVSA-N	421.522	4.525	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1	817016008	BJSIPSNLVCHEIK-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNc1ccccc1Cl	912646656	LAFYRTFTMYFILE-UHFFFAOYSA-N	409.704	4.957	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NNC(=S)Nc1ccc2ccccc2c1	915995569	ZGPJRTIWRSOUAY-UHFFFAOYSA-N	424.576	4.559	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(F)cc2F)c1C	918817287	DTIGXYWOKHHGFB-FCVHUYCESA-N	402.441	4.802	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccncc2)c(C)n1-c1cccc(Cl)c1	920443433	XRNRBWPPZQKBKU-UDWIEESQSA-N	404.901	4.708	50	20	HJGD	
CC(C)(C)c1ncccc1C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788582545	JBYQGLDKRYAWHW-SFHVURJKSA-N	417.912	4.661	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cccc2ncsc12	1788585069	OXHBZJHZYVVGRN-QGZVFWFLSA-N	417.893	4.578	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C(C)(F)F)CCC2)cc1	1790487693	KKYORQNEZNENMS-OAHLLOKOSA-N	400.897	4.819	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1	1824618328	FHJBVYSGNXTBQQ-WOJBJXKFSA-N	411.030	4.984	50	20	HJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)o1	28495808	JMQOAJLRBGKJNF-WDMNMGCXSA-N	400.434	4.518	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNC(=O)c2c(Cl)cccc2Cl)s1	727792578	HVHMXXJQYSHTSN-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3nc(-c4ccccc4)no3)cs2)cc1	728080977	SEJJICVELIKPBV-UHFFFAOYSA-N	405.483	4.740	50	20	HJGD	
COc1ccc2ccccc2c1C=NNC(=O)c1cc(F)ccc1Br	728435768	GTUQUGKRIVMVRV-UHFFFAOYSA-N	401.235	4.514	50	20	HJGD	
COc1ccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1	729273148	IFNFZOZTNPXGCQ-UHFFFAOYSA-N	418.884	4.958	50	20	HJGD	
O=C(NN=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1)c1ccccc1	730552506	JUWORGVXAUWTMZ-BEKIUASKSA-N	421.928	4.519	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	733764406	IUXXYHBQEGGJKO-HIPSJFSSSA-N	406.461	4.622	50	20	HJGD	
Cn1cc(C(=O)NN=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)cn1	735412177	PHJQMTAJXIFZRN-UHFFFAOYSA-N	419.488	4.795	50	20	HJGD	
O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NNc1c(F)cccc1F	735698170	PVXDBDCKIRVHSD-UHFFFAOYSA-N	421.403	4.649	50	20	HJGD	
CC[C@@H](NNC(=O)c1ccc(Br)cc1Cl)c1ccc(F)cc1F	738417321	WQEXYHQGOJGKRL-OAHLLOKOSA-N	403.654	4.766	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c(C)n1CCC(C)C	739632029	UATKVLSPTKXYRK-ZBXXMNEPSA-N	421.541	4.864	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2Cl)cc1OC	742346791	PJJSZCZSBBYXTK-KPKJPENVSA-N	421.678	4.665	50	20	HJGD	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NNc2cccc3c2CCCC3)cc1C	748574395	ZUIAZCAEPHOJJQ-UHFFFAOYSA-N	413.525	4.716	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	748583763	FYIKNHWUYAMCPM-NVNXTCNLSA-N	421.375	4.764	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)ccc1OCC(F)(F)F	750901324	RRRAZNKBKNJJDT-CHHVJCJISA-N	419.355	4.545	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cccn1Cc1cccs1	755565827	HHINYGPBKNZMDJ-UHFFFAOYSA-N	406.536	4.794	50	20	HJGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNc1nc(C(F)(F)F)cs1	755855193	QKJBYRCWRBFJHZ-UHFFFAOYSA-N	419.428	4.935	50	20	HJGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc(Sc2ccccc2Cl)cc1	756241208	YPPFOLAGVVLJMK-UHFFFAOYSA-N	403.813	4.596	50	20	HJGD	
C/C(=C\c1ccccc1)CN(C)C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	756576616	XTBYKJIHXKWRGL-GLVVBSBYSA-N	417.553	4.753	50	20	HJGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(-c2ccccc2Cl)nc2ccccc12	757420051	JNQXRVYPHYQJBW-UHFFFAOYSA-N	409.276	4.782	50	20	HJGD	
O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1cccc(S(F)(F)(F)(F)F)c1	762604473	HVRCOEGQAQCVCD-UHFFFAOYSA-N	416.318	4.991	50	20	HJGD	
CSCC[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762660498	WGSRQTUAIWZFHO-SNVBAGLBSA-N	406.442	4.883	50	20	HJGD	
O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NNc1c(Cl)cccc1Cl	763612091	CEVLIAXDUJXOQJ-UHFFFAOYSA-N	422.293	4.531	50	20	HJGD	
C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNc1c(Cl)cccc1Cl	763617100	DFMMGEZPMBOFFT-MRVPVSSYSA-N	421.111	4.562	50	20	HJGD	
Cc1nncn1-c1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	765311419	BXKBXKKOXSWTRW-CIAFOILYSA-N	416.529	4.586	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1csc(-c2ccc(Cl)c(Cl)c2)n1	768505137	QMBLVBFLIOYVSW-UHFFFAOYSA-N	404.282	4.750	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(NC(=O)NNc2ccnc(Br)c2)cc1	771136580	YQVZCBASWJJYSY-UHFFFAOYSA-N	424.258	4.657	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(Cl)ccc1Br	771690425	GPSXVAZLKGXEPE-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3cnc4ccccc4n3)c(-c3ccccc3)n2)cc1	774769111	DIUWSIJWBQUZCF-UHFFFAOYSA-N	420.476	4.548	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccn(-c2ccc(Cl)cc2Cl)n1	775270509	CSZQOWAGPWGSLM-UHFFFAOYSA-N	417.083	4.638	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccc3ccccc3n2)cc1NC(=O)OC(C)(C)C	775481254	SARJCUPAQRIADG-UHFFFAOYSA-N	423.473	4.739	50	20	HJGD	
CCN(C(=O)Cc1ccc(NC(=O)NNc2c(F)cccc2F)cc1)c1ccccc1	775532228	TXCYCUHKDOHYEG-UHFFFAOYSA-N	424.451	4.709	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2ccc(Br)c3cccnc23)cc1	785019887	JAGXLFJUUUDFEL-LFIBNONCSA-N	423.266	4.656	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccccc1COCc1ccccc1	785252689	IANNDRMLYXUKCP-UCQKPKSFSA-N	400.453	4.766	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C/c3cnn(Cc4ccccc4)c3Cl)nc(O)c2c1C	789131180	WDCYHXAPJPMNHL-OVCLIPMQSA-N	421.913	4.976	50	20	HJGD	
COc1cc(NNC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)ccc1Cl	790170827	CNMAITVANBQLMY-UHFFFAOYSA-N	422.872	4.926	50	20	HJGD	
Cc1ccc(-n2c(N(C)C)nc(/C=C(/C#N)c3cnc4ccccc4n3)c2Cl)cc1	790231248	MDASMBYXIBGIEI-VBKFSLOCSA-N	414.900	4.908	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2oc3ccccc3c2COC(C)C)cc1C	794659710	WCOUVFUXUFQXHM-UHFFFAOYSA-N	410.470	4.600	50	20	HJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	794873724	GPTUTMNCYUNDSO-BJMVGYQFSA-N	401.098	4.829	50	20	HJGD	
CN(CCCN1CCCC1)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	799205914	JGKGSJSFKNIOES-OAHLLOKOSA-N	409.905	4.856	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)NC(=O)CC1CCCCC1	800827970	QUJPSZVVNVTVPX-HNNXBMFYSA-N	401.576	4.798	50	20	HJGD	
O=C(/C=C/c1ccc(OCCCCl)cc1)c1ccc(N2CCOCC2)c(F)c1	811686585	FUECBYYODLMKEM-RUDMXATFSA-N	403.881	4.566	50	20	HJGD	
CCc1nocc1C=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	814697927	IZBLUSDSJWRSCT-UHFFFAOYSA-N	422.535	4.903	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(Cl)ccc2Br)c(C(F)(F)F)c1	816701670	GDSVVLJRRGPKCR-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
CCCCn1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)n1	817015579	IPUABCBGJPXLMP-UHFFFAOYSA-N	408.346	4.786	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1	849209214	IONCMDQCKUOLDO-NWFCWYBLSA-N	403.265	4.779	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1C	879702698	VPNNQZAVXQAPBL-UHFFFAOYSA-N	418.444	4.502	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1C	913020452	XROMHDBJYNMBJF-CVGPFBNFSA-N	409.505	4.551	50	20	HJGD	
N#C/C(=C/c1cc(Br)cs1)C(=O)Nc1nc(-c2ccncc2)cs1	916129774	ZTYKIQSUSDZNNB-WZUFQYTHSA-N	417.313	4.575	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1C	920006100	HUMHHKHCLRANQX-XMHGGMMESA-N	406.530	4.589	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	920064619	GUEMLAWLVRXBED-VGOFMYFVSA-N	411.508	4.783	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nnc(C(F)F)s2)c(C)n1C1CCCCC1	920228914	FRVNYUZZBVQJPE-NTEUORMPSA-N	405.474	4.945	50	20	HJGD	
CC(C)(C)c1ncc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)s1	920361311	LHRCXDVXPXNDCW-UHFFFAOYSA-N	423.538	4.549	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(C(C)C)no2)c(C)n1-c1ccccc1F	920493076	MILGNNGHMCZJLZ-YCPFAOKUSA-N	422.460	4.951	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1C	1323852898	YNOUSPPZHCCOCH-VCHYOVAHSA-N	422.485	4.655	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C3(c4ccccc4)CCC3)CCC2)cc1)[C@H](F)Cl	1788588083	YVWIJATYTXSWKI-IBGZPJMESA-N	414.908	4.777	50	20	HJGD	
Cc1ccc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)[C@@H](F)Cl)CCC4)cc3)cc2c1	1788964999	AIUUIXTXFIPCCL-LJQANCHMSA-N	413.880	4.758	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)c(OC)c3)CCC2)cc1	1790489476	DQUTWGDAHQMCFM-LJQANCHMSA-N	414.933	4.769	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccccc3)CCC2)cc1)C(Cl)Cl	1791607169	KRGKOYXREBCNPV-MSOLQXFVSA-N	417.336	4.728	50	20	HJGD	
Cc1c(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)ccc(F)c1F	1792117280	OGNJJFREFDBCGH-KRWDZBQOSA-N	410.823	4.555	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2C2CC2)n[nH]1	1823134904	MPNVJCVSVVQWAE-HKUYNNGSSA-N	414.937	4.610	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1	1827075988	PGYVCZPHNUBIIO-RMQQFATJSA-N	423.022	4.789	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2Cl)CC1	1829858349	JPWZAURYVIWYGJ-IAGOWNOFSA-N	415.361	4.574	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1	1830309396	IPQKCNCRBZZFPA-NHCUHLMSSA-N	404.982	4.554	50	20	HJGD	
CC(F)(F)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124565	HVWJAKLLBBNLFE-UHFFFAOYSA-N	406.945	4.595	50	20	HJGD	
N#C/C(=C\c1ccc(OC[C@H]2CCCO2)cc1)C(=O)Nc1ccccc1C(F)(F)F	14177849	QBTMJZLEFJFDBB-FXFXYLOPSA-N	416.399	4.809	50	20	HJGD	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	20249693	ZAGAAFLZJWHMAY-NTEUORMPSA-N	412.371	4.650	50	20	HJGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1	141579187	JQKXYUPBSPKLJA-LDADJPATSA-N	400.400	4.859	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1	303614395	ZLHSANRWJYQMAF-UHFFFAOYSA-N	424.648	4.772	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)CCc2ccccc2)c(C)n1C[C@H]1CCCO1	727344070	WQHMRTXEFPKKTD-HDMRQQGGSA-N	419.569	4.719	50	20	HJGD	
CCn1c(C)cc(C=NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1C	728224925	DWOBNIVORAVHPW-UHFFFAOYSA-N	405.527	4.598	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)c1ccccc1	732001693	UJQLRXFDINAOTI-LJQANCHMSA-N	408.523	4.687	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NNc1ncccc1Cl	734245830	RMQCQVQWNNLNQZ-UHFFFAOYSA-N	424.719	4.530	50	20	HJGD	
COc1cc(C(=O)NNc2c(F)cccc2F)ccc1OCc1ccc(Cl)cc1	735697895	QKANMCFQYGBPNG-UHFFFAOYSA-N	418.827	4.963	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=Cc2ccc(C(F)(F)F)cc2)cc1Cl	741769830	QGZDOWDMTXKMNA-UHFFFAOYSA-N	401.772	4.532	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@H]1C[C@@H]1c1cccc(Cl)c1	741980527	XNHHFAQFJKNXEI-NEPJUHHUSA-N	401.638	4.628	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(C3CCCC3)CC2)c(C)n1C[C@@H]1CCCO1	742791455	NFHUALGPRGFWLL-HKPSVDRMSA-N	409.574	4.620	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccn2)c(C)n1-c1ccc(Cl)cc1	743722628	VYPREKXPQBEAPB-UEIJICEPSA-N	404.901	4.927	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2csc(CCc3ccccc3)n2)cc1	751439798	RYHZKGBEKOEDHA-ZHZULCJRSA-N	417.534	4.550	50	20	HJGD	
CCN(Cc1ccccn1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	752472036	NYDUZMBJYUWTOO-XSFVSMFZSA-N	402.473	4.584	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1	757230294	LAPWFZORQOXUGY-HNNXBMFYSA-N	423.944	4.659	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(CCC(F)(F)F)c1	757618701	FUCKAEZATHFIQF-UHFFFAOYSA-N	409.452	4.551	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2F)c1C	760178769	WAEGFSLVBWAIFC-GYKGCMEESA-N	414.452	4.905	50	20	HJGD	
C[C@H](c1ccccc1)n1ccc(NC(=O)NNc2ccc(F)cc2Br)n1	770068484	YWFIOUAZJCTRLK-GFCCVEGCSA-N	418.270	4.543	50	20	HJGD	
CCOCCOc1c(Cl)cccc1NC(=O)NNc1c(F)cccc1Cl	771134275	AMLKYJZCUJYGCY-UHFFFAOYSA-N	402.253	4.696	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1F	773151068	RBZVOAKYUHRGIW-YHYXMXQVSA-N	409.598	4.940	50	20	HJGD	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NNc1cc(Cl)ccn1	778446522	MVLMCVGLNBVXCQ-UHFFFAOYSA-N	422.872	4.829	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1c(Cl)ccc2cccnc12	781118150	JANPQRTWVJPXST-OAHLLOKOSA-N	403.869	4.959	50	20	HJGD	
C[C@H](CCO)C1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCC1	782982475	DEHIONHMSMHHCS-GFCCVEGCSA-N	423.469	4.811	50	20	HJGD	
COc1cc(C(=O)NN=Cc2c(Cl)cccc2SC(C)C)cc(OC)c1OC	786037834	RDEVSYIVYYZSEJ-UHFFFAOYSA-N	422.934	4.630	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(c2cnc3ccccc3c2)C(C)C)c1C	791027576	BKGZNQITWGZQBW-LPYMAVHISA-N	416.525	4.648	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cccnc1OCc1ccccc1F	792212546	PKDZNKJKANUZOH-UHFFFAOYSA-N	422.847	4.758	50	20	HJGD	
C[C@@H]1OCC[C@@]12CN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C[C@@H](C)O2	792880579	GOCQHMWWBPSSHD-SELNLUPBSA-N	405.655	4.977	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	798532267	GPXBAWNDNFOPLB-HDJSIYSDSA-N	407.301	4.584	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccccc1NCc1ccccc1Cl	807778939	HJGYTUKYZLPVPL-UHFFFAOYSA-N	407.905	4.767	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1C	812721084	JUXVULFOGNGRRS-UHFFFAOYSA-N	400.784	4.601	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2cc(SC)c(Cl)cc2Cl)cc1C	812724982	RKKIBQNCPGRLLN-UHFFFAOYSA-N	413.326	4.957	50	20	HJGD	
CC(C)Nc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1	817016601	CNDWHGCAOXDFHL-UHFFFAOYSA-N	406.330	4.696	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2csc(COc3ccc(F)cc3)n2)c1	825249135	UEZKVPQVWJOKEN-SXGWCWSVSA-N	424.453	4.520	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(F)cccc3F)c2C)cc1	912706477	DVHXJKPAYNRJCF-SFQUDFHCSA-N	407.420	4.927	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(OC)ccc2OC(F)F)c1C	916067937	GAWZSKWWCARFEM-YBEGLDIGSA-N	403.429	4.671	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1C	916466767	DJKSXUIRDVIOAG-QFXXMJIKSA-N	407.514	4.618	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c(C)n1CCC(C)C	918565970	LBUZAUWTNBOPLR-NMWDDECMSA-N	418.585	4.701	50	20	HJGD	
Cc1cc(C=NNC(=O)c2nnc(-c3ccccc3)o2)c(C)n1-c1ccc(Cl)cc1	920382387	YWDFHFATSUJQQN-UHFFFAOYSA-N	419.872	4.561	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCCn2c(C)nc3ccccc32)c(C)n1CC(C)C	921739368	QINSUIOQAKRFFS-HMAPJEAMSA-N	417.557	4.533	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccc4[nH]3)CCC2)cc1	1786010410	JBRSBUXUTMIEQJ-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cscc3OC)CCC2)cc1	1790486606	FFFCXCDXLCSMOR-MRXNPFEDSA-N	406.935	4.522	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816690881	VQOHPEJGWXBHAE-SJLPKXTDSA-N	408.974	4.780	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C)CC1	1832725651	PTVHOACETIHINV-NHCUHLMSSA-N	422.972	4.775	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1	7157374	SWKKGXKAXSMPQT-XSFVSMFZSA-N	405.461	4.788	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1	14150461	ZQQVJTUFJRPMEI-UDWIEESQSA-N	414.417	4.972	50	20	HJGD	
CCc1cccc2c(C(=O)[C@@H](NNC(=O)c3ccccc3F)c3ccccc3)c[nH]c12	25703109	PTWZKBOONMPLHC-QHCPKHFHSA-N	415.468	4.728	50	20	HJGD	
O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(CCCCl)cc1	110209833	ONIUFESLBINNFZ-UHFFFAOYSA-N	406.704	4.560	50	20	HJGD	
Cc1csc(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)n1	725858050	WRLGWMQVFGLKJH-UHFFFAOYSA-N	421.353	4.859	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1C(N)=O	727327948	PWFLXMBPXAKCOZ-UNOMPAQXSA-N	404.514	4.563	50	20	HJGD	
CCC[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	727797564	QJHYTBXRIOYLKL-LFRJBJLHSA-N	407.558	4.747	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cc(-c2cccs2)nc2ccccc12	728080168	JATGTSBZRIGESG-UHFFFAOYSA-N	413.462	4.770	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNC(=S)Nc3cccc(C)c3C)c(F)c2)cc1	730274987	NVDPMARQRTVWRK-UHFFFAOYSA-N	423.513	4.750	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1C	730596309	QHIFDLLAFZQVKM-HZPDHXFCSA-N	408.354	4.732	50	20	HJGD	
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)NNc1ccccc1C(F)(F)F	731602520	HEXSLPIDYWARQJ-UHFFFAOYSA-N	418.371	4.755	50	20	HJGD	
Cc1onc(-c2ccccc2)c1C(=O)NNc1ccc(Br)cc1Cl	733807921	HHMZEDHPDNKXPP-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
Cc1cc(NNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)ncn1	734255384	AMTAOTPHNFCHNW-UHFFFAOYSA-N	408.458	4.720	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCCNc2ccccn2)c(C)n1C1CCCCC1	736195610	PIIANDOZXYNIKR-LTGZKZEYSA-N	405.546	4.531	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)c1C	738507292	JUEPDGLWAGVMCE-CYBMUJFWSA-N	409.477	4.834	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2CC(F)(F)F)c1C	741988307	KIPBPGANAFQDQJ-HNIBHBHRSA-N	419.447	4.963	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1cccc(Br)c1)[C@H](CC)c1ccccc1	743688316	YWAXCRFMTNOMQC-GOSISDBHSA-N	418.335	4.667	50	20	HJGD	
O=C(NN=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)c1ccncc1	751323597	AUSIICLTLJIFGI-UHFFFAOYSA-N	421.460	4.504	50	20	HJGD	
Cc1[nH]c2ccc(Cl)cc2c1C=NNC(=O)c1cc(F)ccc1Br	752733781	KOAYSDSJOJTLHD-UHFFFAOYSA-N	408.658	4.795	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CC[C@H](O)CC2)c(C)n1-c1cccc2ccccc12	753728884	CAIUZJYOAOESBL-WXRBUQDLSA-N	413.521	4.574	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(C2SCCCS2)cc1	754469785	LTISTKUDODVDAP-UHFFFAOYSA-N	408.552	4.769	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cc(Cl)ccc1OC1CCCC1	754470044	LGIIDBYCORZQQP-UHFFFAOYSA-N	408.889	4.875	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cn(-c3ccc(F)cc3Cl)nn2)c(C)c1	755571414	ATPMXDZWQDFWTA-NVNXTCNLSA-N	409.852	4.531	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1C(C)(C)C	758417807	VJPXEVWQHJDLPY-SAPNQHFASA-N	400.482	4.724	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cc3ccccc3o2)c(C)n1C[C@@H]1CCCO1	758683948	INNDLMDVFWBMCU-IOAQBMTJSA-N	404.466	4.681	50	20	HJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2ccc(Br)c(C)c2)c1	764264708	XLYKKTCPXCPWPZ-UHFFFAOYSA-N	412.125	4.894	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1cccc(Oc2ccncc2)c1	770026941	JSYYEPWQUZYPKH-UHFFFAOYSA-N	417.238	4.924	50	20	HJGD	
Cc1cccc(C(=O)NNc2c(F)cccc2Cl)c1NC(=O)c1ccccc1F	771675334	XRHDOHLMBPCCOW-UHFFFAOYSA-N	415.827	4.936	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)C(=O)c1ccc(Cl)s1	774130235	KHIDRPFGRAPBCW-DHZHZOJOSA-N	400.308	4.638	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)cc1O	775639424	PCOGUDINRNJMMI-WDZFZDKYSA-N	424.197	4.555	50	20	HJGD	
CCCc1nc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)s1	777043898	QEDSVLJXEHYGCS-MVDPLZLPSA-N	412.559	4.547	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)nn1-c1cccc(Cl)c1	777425212	FIMBXIXZRAVBTG-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cc(Br)cc(C(F)(F)F)c1	777463440	SHMPRECIHKWFRW-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
C[C@@H](CC(C)(C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)O	777909678	BFOBJWSCZGOPGG-VIFPVBQESA-N	411.414	4.512	50	20	HJGD	
COc1ccc(N(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cn1	777930511	DEVCHESQFDRUNF-UHFFFAOYSA-N	404.382	4.573	50	20	HJGD	
O=C(NN=Cc1ccc(Oc2ccccc2)o1)c1ccc(F)cc1Br	779770192	GSHXBAGVVSAFRQ-UHFFFAOYSA-N	403.207	4.737	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)C(=O)Nc1ccc(Cl)cc1Cl	780146054	CERPEKIZAUGFPQ-VIZOYTHASA-N	415.255	4.923	50	20	HJGD	
O=C(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)NN(c1ccccc1)c1ccccc1	782821201	JGGJDXADRAOAKP-UHFFFAOYSA-N	417.362	4.653	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1	783359526	QTBZSAGJDWIHFV-UHFFFAOYSA-N	416.506	4.662	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccc(F)cc1F	786049729	JOBDBYQBFHRWFV-VGOFMYFVSA-N	415.852	4.965	50	20	HJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccncc2)cc1	788349250	HGHHFCWZEWCVBU-AFDUHFSSSA-N	424.508	4.918	50	20	HJGD	
CSC1(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCC1	789784222	KHFHKAOQTAMKMS-UHFFFAOYSA-N	404.426	4.684	50	20	HJGD	
CN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790398643	MRBJJTQLVHQYPB-UHFFFAOYSA-N	417.377	4.867	50	20	HJGD	
CCc1cc(C(=O)NNc2ncccc2C(F)(F)F)c2c(CC(C)(C)C)noc2n1	800692582	WPDPTHWYXACLNS-UHFFFAOYSA-N	421.423	4.545	50	20	HJGD	
CCC[C@H](NCc1ccc(OCCCCl)cc1)C(=O)N1CCc2sccc2C1	811477636	ATFAKXGESVIBOF-FQEVSTJZSA-N	421.006	4.599	50	20	HJGD	
COC(=O)C1(CS(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCC1	811695521	IGDOKBIOVAFQRF-UHFFFAOYSA-N	423.425	4.819	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCC[C@@H]3C(C)(C)C#N)cc12	814695490	DYUCGAFOZZSDJX-KRWDZBQOSA-N	405.527	4.831	50	20	HJGD	
COc1cc(C(=O)NN=Cc2sc3c(Cl)cccc3c2C)cc(OC)c1OC	814699038	ZHZCNEAUGXXZAF-UHFFFAOYSA-N	418.902	4.653	50	20	HJGD	
COc1cc(-c2noc(/C(C#N)=C\c3cc(C)n(C4CCCCC4)c3C)n2)ncn1	904789151	VFKHOWMDIWRBHO-YVLHZVERSA-N	404.474	4.523	50	20	HJGD	
CCc1ccccc1OCC(=O)NN=Cc1sc(Oc2ccccc2)nc1Cl	915945563	QEXHOARMRBDUCJ-UHFFFAOYSA-N	415.902	4.680	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2c(C(C)C)nn(C)c2Cl)c(C)n1CC(F)(F)F	915989404	GEEQPAMASDYCPW-QPEQYQDCSA-N	412.843	4.967	50	20	HJGD	
O=S(=O)(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc(CCCl)cc1	917861524	CNHOESNETQTXTP-LJQANCHMSA-N	409.935	4.736	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(N3CCCC3)cc2)c1C	918566698	YWCMIGJBXCFOJW-XQNSMLJCSA-N	404.558	4.729	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2Cl)o1)NNc1ccc(Br)cc1	932532886	LKMRHANMRFCKIX-UHFFFAOYSA-N	420.694	4.833	50	20	HJGD	
CC[C@H](C(=O)N1CCC2(CCCN(C(=O)C(C)(C)CCl)C2)CC1)c1ccccc1	1805259669	ZWEOINGBYIGDEM-FQEVSTJZSA-N	419.009	4.676	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1	1820592105	QPOHLTPMQAALSH-IEBWSBKVSA-N	416.953	4.856	50	20	HJGD	
C[C@H]1C[C@@]1(C)C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1845087735	DBMRPNXBNFSPDP-SIKLNZKXSA-N	411.030	4.986	50	20	HJGD	
Cc1sc2nc([C@H](C)OC(=O)CCCC[C@@H]3CCSS3)[nH]c(=O)c2c1C	5755184	ZNZFRWLTGYITHJ-WCQYABFASA-N	412.602	4.920	50	20	HJGD	
Cc1sc2ncnc(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)c2c1C	5884731	MLPPPJDHGBUCAS-ATVHPVEESA-N	410.549	4.922	50	20	HJGD	
COCCN(Cc1cccnc1)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	261401331	RWOAMUADDXVKKA-HZHRSRAPSA-N	420.557	4.587	50	20	HJGD	
O=C(CSc1ccc2ccccc2c1)NNC(=O)c1c(Cl)cccc1Cl	727792564	HLRHRDBGJLMWTF-UHFFFAOYSA-N	405.306	4.700	50	20	HJGD	
Cc1ccc(Cl)c(NC(=S)NNC(=O)c2cccc(OC(F)F)c2)c1Cl	728448863	OSUFZSYJJKHQAQ-UHFFFAOYSA-N	420.268	4.535	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc(Br)cc2Cl)c(C)n1CC(C)C	728782321	JBXWTSYHAILJTC-UHFFFAOYSA-N	410.743	4.941	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)o1	730216439	QWGIASQLVTWTMC-UHFFFAOYSA-N	424.888	4.588	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2	733361882	GPWIYGZDVAYNLX-UHFFFAOYSA-N	416.859	4.830	50	20	HJGD	
CCSc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	733769121	YUCMAIHFMZWNFG-JCAJYURWSA-N	409.555	4.942	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cccnc1Oc1cccc(Br)c1	735696469	UYXMKMMIHTWJQW-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
CCC(CC)CNC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12	739033345	AOZRQEKAFNAEPD-UHFFFAOYSA-N	404.514	4.590	50	20	HJGD	
CCc1cnc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)s1	742806346	XXXJZNPWGMRTAF-ODLFYWEKSA-N	404.539	4.645	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCc2nc(C)c(C)s2)c1C	743783666	UBMIUBMPYOSMPS-RGVLZGJSSA-N	404.539	4.699	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)CCc2c[nH]c3c(C)cccc23)cc1	743821317	MAUAJDYIFDLGQE-UHFFFAOYSA-N	408.571	4.769	50	20	HJGD	
COc1ccc(NNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1	746884004	YOLRAXWIVHPSMC-UHFFFAOYSA-N	406.269	4.733	50	20	HJGD	
CCc1nc(C(=O)NNc2ccccc2Cl)nn1-c1c(Cl)cccc1Cl	748318289	MGGWWTHZMSQANK-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
Cc1cc(NNC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)ccc1Br	748610626	QLJTVGSHWYGOSD-GFCCVEGCSA-N	419.348	4.571	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3cccc([N+](=O)[O-])c3C)cs2)cc1	748684432	BOCHBMDSNQCASL-UHFFFAOYSA-N	412.471	4.572	50	20	HJGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748703676	YLHSIJOFEZSBGU-LLVKDONJSA-N	404.841	4.905	50	20	HJGD	
CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	750264845	MCLMSXQXTQIYEA-IUODEOHRSA-N	408.873	4.539	50	20	HJGD	
O=C(NCCOCc1ccccc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762668336	YIKZZEJUOREJER-UHFFFAOYSA-N	424.391	4.616	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(OCc2ccncc2)cc1	770027794	ZAGCAAFXPAXJEV-UHFFFAOYSA-N	402.376	4.828	50	20	HJGD	
CCCN1CCC(N(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	777909635	CAQDISBTVNLVNL-UHFFFAOYSA-N	422.485	4.839	50	20	HJGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNc2ccc(Br)cc2C(F)(F)F)C1(C)C	780639046	FPYQUHYNMGWGTN-MWLCHTKSSA-N	421.257	4.552	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(Cl)cn2)c1C	781709111	XTHJNSIAUJSIAQ-FCVHUYCESA-N	401.894	4.572	50	20	HJGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1	784786238	JCFBJVWSFDYHRM-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)NCc3cccc(Cl)c3)cs2)c1	786055214	DANMLHPNOYFFJT-SXGWCWSVSA-N	409.898	4.695	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccc(OCc2ccc(F)cc2)cc1	787313423	COEFMXQGFWLGIL-JPOGYNCRSA-N	416.452	4.895	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)ccc1Cl	788606627	BEIYIAOINBGPTN-UHFFFAOYSA-N	403.788	4.747	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(OC)c2)c1C	790145337	BGPWQQLDWLPYIG-VEJKBTLKSA-N	401.894	4.520	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cnnn1-c1c(Cl)cccc1Cl	795174230	IVUOIHIKOALEFT-UHFFFAOYSA-N	417.083	4.638	50	20	HJGD	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1ccc(OC)cn1	797755389	FRUVZIZABVVFDC-UHFFFAOYSA-N	421.284	4.761	50	20	HJGD	
O=C(NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1cc(Br)c[nH]1	799475284	ZUJYDXPQDFTPCO-LLVKDONJSA-N	414.225	4.850	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2cccc(Cl)c2Cl)cc1	801816332	OHTYDAQWDKTGFI-GXDHUFHOSA-N	404.249	4.725	50	20	HJGD	
O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NNc1ccc2c(=O)[nH]ccc2c1	803437587	UKYYHGIIDIWHIY-UHFFFAOYSA-N	409.489	4.565	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1c[nH]c(C(F)(F)F)c1	815541665	KTKFTZAHNUVXSV-UHFFFAOYSA-N	416.119	4.572	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2ccccc2C(F)(F)F)c(C)n1CC(C)C	912638574	SDXPLQHSRRQKNS-YVLHZVERSA-N	404.436	4.830	50	20	HJGD	
C[C@H](Sc1nccn1Cc1ccccc1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	914527886	TUKOCQQUOOIIAN-MUNYZGMTSA-N	418.547	4.934	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(Br)cc2F)c1	915905528	SQTKRSGJRQCXFD-UHFFFAOYSA-N	407.283	4.549	50	20	HJGD	
Cc1nccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)n1	917811229	NRTLBLKRAKIGMN-HMAPJEAMSA-N	421.504	4.569	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1	918713711	QMGBDXCDGRYSKS-NVNXTCNLSA-N	422.872	4.601	50	20	HJGD	
O=C(Nc1ccc(-c2csnn2)cc1)NN(Cc1ccccc1)c1ccccc1	919914287	DRPRGULEXVNMPI-UHFFFAOYSA-N	401.495	4.948	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1O	920069439	QDDMUXKRNSIWRY-AWNIVKPZSA-N	414.284	4.746	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2ccc(C(C)(C)C)nn2)cc1OCC	1318693483	ITFXQTHMKXZDNY-UHFFFAOYSA-N	420.941	4.762	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccc(O)cc3)CCC2)cc1	1790489795	LJMHVTYDAWUEHU-YWZLYKJASA-N	414.933	4.647	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Cl)CC1	1829895516	ZDZAIDBYHWJVOK-PKOBYXMFSA-N	411.373	4.591	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2)c1Cl	6489689	OVKRFTSPTRSSMV-SSZFMOIBSA-N	406.873	4.779	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)C(C)C)c(C)n1C[C@H]1CCCO1	22197420	KGNALVFFOZYCIW-AKKXDVJXSA-N	405.542	4.628	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCCNC(=O)OC(C)(C)C)c(C)n1C1CCCCC1	726338504	FPZSYTXQYHQCBO-RGEXLXHISA-N	415.534	4.585	50	20	HJGD	
NC(=O)c1cccc(Oc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cn2)c1	726772720	BQWLRMYJWUPGPB-QGZVFWFLSA-N	417.556	4.625	50	20	HJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)cc1Cl	727263962	LHZFMHOUBCIRKV-YBEGLDIGSA-N	412.873	4.816	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cn(Cc2ccccc2)nc1-c1ccccc1	727759335	YCUJNQARLMXBCN-UHFFFAOYSA-N	422.410	4.773	50	20	HJGD	
C[C@@H]1CCc2[nH]c3ccc(C(=O)NNC(=O)c4c(Cl)cccc4Cl)cc3c2C1	727805962	GTUUTSTVNODFOV-LLVKDONJSA-N	416.308	4.674	50	20	HJGD	
CC(C)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc(-c2cccnc2)no1	728073603	MKVONPQPNZTCPA-NVXWUHKLSA-N	406.577	4.659	50	20	HJGD	
CCSc1ccc([C@@H](C)NC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1	728944530	FLAOTSOWTMEHJY-UONOGXRCSA-N	417.600	4.690	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1C	730032282	VOKUZYZXPNYBCY-UHFFFAOYSA-N	411.477	4.880	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cccc(OCc3ccccc3C#N)c2)n1	731319232	MPRPZVDDOMMGKD-GRSHGNNSSA-N	415.474	4.835	50	20	HJGD	
CC[C@@H](C)n1ncc2c(C(=O)NNc3ccc(Br)c(C)c3)cc(C)nc21	734252850	BVTXBZOGTKGPLC-CYBMUJFWSA-N	416.323	4.539	50	20	HJGD	
Cc1cc(OCc2ccccc2)ccc1NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	735274421	ZESUZTIHRLBJJL-MTJSOVHGSA-N	410.477	4.638	50	20	HJGD	
COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)NNC(=O)c1cccc(Cl)c1	739049734	MQJUBWUYTVSSIT-QGZVFWFLSA-N	424.328	4.733	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1cccc(Oc2nccs2)c1	739299330	DKTRYFWCHWDDAY-UHFFFAOYSA-N	421.228	4.825	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2ccc(F)cc2)s1	739413045	JVMBCKHAMHCQBY-UHFFFAOYSA-N	403.822	4.880	50	20	HJGD	
Cc1cccc2c(CCC(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)s3)c[nH]c12	741663488	SHVTUTCUQBMIRM-UHFFFAOYSA-N	421.497	4.738	50	20	HJGD	
CC(C)CCC[C@@H](C)NC(=O)NNC(=O)Nc1ccc(Br)cc1Cl	743526508	PIIJZJYORQKZQF-LLVKDONJSA-N	419.751	4.653	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2ccc(OC)c(SC(F)(F)F)c2)cc1	744491708	VLBXVRPKMAWKKC-DHDCSXOGSA-N	423.412	4.966	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C	748732785	ZFYNWDQAUYIGOU-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
CCc1ccc(C(=O)Nc2sccc2C(=O)NNc2cc(F)c(F)cc2F)cc1	748799759	JYQJOHIPTKTVPQ-UHFFFAOYSA-N	419.428	4.737	50	20	HJGD	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	751543814	DNFLDPNDVDMWGY-DVOMOZLQSA-N	421.916	4.996	50	20	HJGD	
CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752978038	RPJWHRPEPFAKTJ-VXGBXAGGSA-N	422.441	4.821	50	20	HJGD	
CC(C)c1ccc(C2(O)CCC(=NNC(=O)c3cc(-c4ccccc4)[nH]n3)CC2)cc1	753919114	RFLXUJRXYBZFRZ-UHFFFAOYSA-N	416.525	4.748	50	20	HJGD	
O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)NN(Cc1ccccc1)c1ccccc1	758705181	CJIBGPSMYYQILM-LADGPHEKSA-N	419.500	4.967	50	20	HJGD	
N#CCCn1ncc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c1-c1ccccc1	758922191	QZLPHDVDJMLLET-UHFFFAOYSA-N	418.259	4.667	50	20	HJGD	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	759973460	LXEWYOGFMCRYLZ-LLVKDONJSA-N	409.795	4.583	50	20	HJGD	
CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762663803	FQNTULMRIWBBBJ-GHMZBOCLSA-N	404.426	4.683	50	20	HJGD	
CCC(CC)(CCO)CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762664393	IQHWOQJNCBMLHV-UHFFFAOYSA-N	418.428	4.588	50	20	HJGD	
Cc1nnc(COC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)o1	763404639	YYKMIRZIHIXBLM-NDENLUEZSA-N	412.449	4.589	50	20	HJGD	
CC(C)c1ccc(N2Cc3ccc(NC(=O)NNC(=O)OC(C)(C)C)cc3C2)cc1	765239411	GAHZHWWSHJNQTE-UHFFFAOYSA-N	410.518	4.891	50	20	HJGD	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NNc2ncnc3ccsc23)c1	766679324	UQYKGCSTUYFJMT-UHFFFAOYSA-N	421.869	4.766	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1ccc(Br)c(F)c1	771679021	OFDYJSMJMVRXEO-UHFFFAOYSA-N	402.267	4.659	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1	773149959	LHNUCIILNOWEBA-JYRVWZFOSA-N	410.792	4.578	50	20	HJGD	
CO[C@@]1(C)C[C@@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1(C)C	773354234	WBRQLAHEFMNGBV-WBMJQRKESA-N	416.412	4.602	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cccn2[C@H](C)Cc2ccccc2)c1C	774266438	VRWIRFQLSDCUDB-QGZVFWFLSA-N	406.555	4.540	50	20	HJGD	
C[C@@H](Cc1cccc(O)c1)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777961259	MMVPPQPYVJDRHC-NSHDSACASA-N	417.421	4.959	50	20	HJGD	
CSCCCCCCNC(=S)NNC(=O)Nc1ccc(-c2ccccc2)cc1	782207144	YRUGQRCMARYSAG-UHFFFAOYSA-N	416.616	4.778	50	20	HJGD	
COC[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(C)o1	782981081	OMFANBRLTAEAEK-CYBMUJFWSA-N	421.409	4.911	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F	787424975	NBZCUVNTSZNIBU-VZUCSPMQSA-N	413.207	4.524	50	20	HJGD	
CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	788718191	JWBGPTOVBBRXCQ-GYSYKLTISA-N	401.903	4.674	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(-c2ccc(OC(F)F)cc2)s1	790587926	KOASBOZNEHFJPO-UHFFFAOYSA-N	423.372	4.821	50	20	HJGD	
COc1cccc([C@H](C)CCCC(=O)NNc2nc(-c3ccccn3)nc(C)c2C)c1	790725558	YUASPDUMYVUBKG-MRXNPFEDSA-N	419.529	4.581	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c(C)cc1Cl	795104737	VNNXQTWQPQOMHO-UHFFFAOYSA-N	421.810	4.585	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N(CCc1ccccn1)Cc1ccncc1	798093887	XNOYTMCNJMHEBX-FQEVSTJZSA-N	401.601	4.762	50	20	HJGD	
COCCn1cc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	800557489	VJYDGRJZVLIFDF-UHFFFAOYSA-N	400.373	4.509	50	20	HJGD	
N#Cc1ccccc1Sc1ccc(C(=O)NNc2nccnc2C2CCC2)cc1	805470022	UDNZOJWHMOXLMY-UHFFFAOYSA-N	401.495	4.524	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1OC1CCOCC1	806644771	IBUCYLJNDFHQJE-UHFFFAOYSA-N	414.264	4.839	50	20	HJGD	
CC(C)c1scnc1C(=O)NNc1c(Br)cccc1Br	811501607	PUADWUZLASVTRB-UHFFFAOYSA-N	419.142	4.548	50	20	HJGD	
O=C(NN=C[C@H]1CCOC1)c1ccc(COc2ccccc2-c2ccccc2)cc1	812383654	VTKIJHMFBULTDQ-HXUWFJFHSA-N	400.478	4.685	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1	812767573	KMMUKTJNIQTBAF-SEYXRHQNSA-N	405.542	4.514	50	20	HJGD	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NNc2cccc(Cl)n2)cc1	817009766	YNFRARYJBXHLRB-UHFFFAOYSA-N	414.918	4.929	50	20	HJGD	
O=C(NNc1ccccc1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1	832629227	QXQCTJOXIZYTCM-UHFFFAOYSA-N	419.488	4.904	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(-n3cccn3)nc2)c(C)n1C1CCCCC1	900997635	ARQLUEFMHZUYQA-XSFVSMFZSA-N	414.513	4.737	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1	901357847	RWYBIHOVKMWQKN-ATVHPVEESA-N	423.563	4.845	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)c1cc(Cl)ccc1O	915996285	PQTIOEMKZMYLCE-UHFFFAOYSA-N	405.951	4.924	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])ccc2n1-c1ccccc1	917214087	GGAZXKIEEUSXES-UHFFFAOYSA-N	421.844	4.652	50	20	HJGD	
C[C@H](CC(=O)N1CCC2(CCCN(C(=O)C(C)(C)CCl)C2)CC1)c1ccccc1	1805266310	AWIDNRBQZOLZIN-LJQANCHMSA-N	419.009	4.676	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(Cl)Cl)CC2)CC1	1831695563	WABITWWIDHKEDG-KBAYOESNSA-N	417.421	4.626	50	20	HJGD	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	6428677	SUNWEIFIEKSDPG-KPKJPENVSA-N	407.253	4.565	50	20	HJGD	
N#C/C(C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1)=C1\Nc2ccccc2S1	115199037	XBXBEWRFAYCBES-RGEXLXHISA-N	408.483	4.830	50	20	HJGD	
Cc1cccc(Oc2ccccc2CNC(=O)NNC(=O)Nc2ccccc2C)c1	730129380	NHSRTAOMYQEBGB-UHFFFAOYSA-N	404.470	4.632	50	20	HJGD	
O=C(NN=Cc1cc2ccccc2nc1N1CCCCC1)c1cccc2ncccc12	730147115	OVTAWKWEXDLLCW-UHFFFAOYSA-N	409.493	4.537	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	731186745	RWVRMPAOSRSNKE-WOJBJXKFSA-N	410.926	4.536	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNc3nc(-c4ccncc4)no3)sc2c1	732659715	VUZJYAGOMIHQQG-UHFFFAOYSA-N	413.890	4.880	50	20	HJGD	
Cc1c([C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C(C)C)oc2ccccc12	732704910	JPYULPFMAWZRFG-FQEVSTJZSA-N	404.470	4.564	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C#N)C(=O)N(C)c2ccccc2)cs1	732716790	ZQUKHWBOUZJKLZ-QGOAFFKASA-N	416.506	4.706	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NNc3nccc4sccc34)c12	734248028	DGGCEOLDSPDCIJ-UHFFFAOYSA-N	422.558	4.985	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccn(C(C)C)n2)c(C)n1-c1cccc(Cl)c1	737964126	KDSIEDZPNGHTFS-ODLFYWEKSA-N	421.932	4.748	50	20	HJGD	
CCCC(CCc1ccccc1)=NNC(=O)c1ccc(CSc2nncn2C)cc1	740760275	PGEPKGRPKMYOAC-UHFFFAOYSA-N	421.570	4.626	50	20	HJGD	
C[C@H](NC(=S)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1cccs1	741870716	ZPHDZIWFBANUDQ-ZETCQYMHSA-N	423.778	4.970	50	20	HJGD	
CCn1c([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)nc2ccccc21	743730522	QOQPXSISBIPNLL-KOMLCTQHSA-N	417.557	4.915	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](CN(C)CC3CC3)C2)c(C)n1C1CCCCC1	746347285	ZKXVHBWJTARRRO-UTKDAVAPSA-N	422.617	4.707	50	20	HJGD	
N#Cc1cccc(NNC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c1	748042041	YGENOPNXJUSJDJ-UHFFFAOYSA-N	403.294	4.674	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)n1	748336105	RTHUPGPKSAVVIU-GOSISDBHSA-N	420.872	4.693	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc2c(OC(F)F)cccc2[nH]1	748730839	WOSRTUXLKSCOHG-UHFFFAOYSA-N	410.218	4.597	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1cc2ccccc2o1	749823179	JVTYBJBQLTXXDS-UHFFFAOYSA-N	405.841	4.824	50	20	HJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(-c2ccccc2)nn1	754472595	WJGLZCCJQAETPX-UHFFFAOYSA-N	402.479	4.638	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)c2ccc(F)cc2F)c1C	760158488	JWVPCFSICNBUDM-DISPHTKASA-N	400.425	4.515	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCC[C@@H]2OCC[C@H]21	761617621	KUZZHPUYAAYYKR-WJNVRWDZSA-N	408.873	4.985	50	20	HJGD	
C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762643070	WMHOZGPLVIMODX-LLVKDONJSA-N	424.391	4.736	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc3cc(Br)ccc3c2)cc(C#N)n1C	763712598	HCHVTLPWRLIDER-IDUWFGFVSA-N	419.282	4.667	50	20	HJGD	
O=C(NNc1c(F)cccc1F)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	768113185	VDGVMQGIIPVSOI-SFHVURJKSA-N	402.832	4.623	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(Cl)cc(Br)c1F	768180533	MPBGAYYONGMKAA-UHFFFAOYSA-N	408.658	4.855	50	20	HJGD	
CC1(C)CC[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	769003406	CQTXULXCKXAYHX-MEBBXXQBSA-N	408.873	4.539	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCc2ccon2)c(C)n1-c1cccc2ccccc12	770106460	LLIDQSMUEYPBPV-QNGOZBTKSA-N	410.477	4.501	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1nccnc1C(C)C	772861219	YLVONYSLXRAFLO-UHFFFAOYSA-N	406.273	4.627	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)C(=O)NNc3cccc(Cl)c3C)ccc2C)c1	773766809	WGEWNUQULPQUJM-UHFFFAOYSA-N	424.888	4.534	50	20	HJGD	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	777425711	HYLSQAQDMAKTDS-UHFFFAOYSA-N	424.866	4.806	50	20	HJGD	
C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777619317	GUEHDZUHMNORKW-GFCCVEGCSA-N	417.421	4.920	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(OC4CCCC4)c(OC)c3)c(C)cc2c1	778480411	FRMPBYYUEBAMHK-UHFFFAOYSA-N	421.497	4.639	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)NC2CC2)cc1	780821310	PYJOHQITRMZKNS-HNNXBMFYSA-N	409.534	4.655	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccccc1OCc1ccccc1Cl	790588740	LLJHGHUEEPXALM-UHFFFAOYSA-N	415.808	4.723	50	20	HJGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(Sc2ccc(C(C)C)cc2)cc1	792376120	PYGQHUGUOCKBNR-UHFFFAOYSA-N	420.538	4.746	50	20	HJGD	
N#C/C(=C\c1c(Cl)nc2cc(Cl)ccn12)C(=O)NCc1cccc(Cl)c1	794714525	RCYDLIAOQSLLOA-KPKJPENVSA-N	405.672	4.518	50	20	HJGD	
C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(N2CCCOC2=O)cc1	814356160	UAPISJYAFAICFC-CRAIPNDOSA-N	408.589	4.925	50	20	HJGD	
COc1ccc(NNC(=O)Cc2cccc3ccc(OC)cc23)c(C(F)(F)F)c1	816702768	BLPLRDFMFOURNU-UHFFFAOYSA-N	404.388	4.562	50	20	HJGD	
CCn1nc(C)c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl	817015781	RNGSMFRUCPWZKQ-UHFFFAOYSA-N	414.737	4.659	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc([C@H]2CCOC2)c1	817017002	UBGHMCZDSKTJMU-ZDUSSCGKSA-N	418.337	4.985	50	20	HJGD	
N#C/C(=C/c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)Nc1ccc(F)c(Cl)c1	834692606	DPQAIFISHOOZOP-BXBOZWQASA-N	400.837	4.583	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c(C)n1CCC(C)C	897485644	JDHCDLMJXSOUQX-LZYBPNLTSA-N	416.428	4.883	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2F)C(C)C)c1C	914502375	RSVCQXLZBNCXDV-WQFTWXBESA-N	411.521	4.796	50	20	HJGD	
CCOc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)cc(Cl)c1O	916295036	LUOANYZYBIAHKX-UHFFFAOYSA-N	424.884	4.640	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)COc3ccc(C)cc3)s2)cc1	916326689	JXSGDXXRZNUINA-UHFFFAOYSA-N	414.918	4.686	50	20	HJGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	916328831	QLUMXKXKBYVIMB-UHFFFAOYSA-N	423.929	4.526	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)Cc3cnc(C)s3)c2C)cc1	916507068	YXBNLNILCDEGCO-RGVLZGJSSA-N	404.539	4.733	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(-c4nnco4)cc3)c2C)cc1	918579697	GBDRIQARVSECHO-BKUYFWCQSA-N	423.476	4.998	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	918712678	MFYPRFJGUNNRPH-ZROIWOOFSA-N	412.371	4.650	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(F)c(F)c2)c(C)n1C[C@@H]1CCCO1	918953360	SGFTUAZCOSARNI-NZUMRDBSSA-N	414.452	4.774	50	20	HJGD	
Cc1cnn(CC2CC2)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	1325337048	HZAQKTGMLCLGNY-RGVLZGJSSA-N	417.488	4.694	50	20	HJGD	
Cc1ccc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c1	1824014966	MMWXXYPPRWHTLJ-NRFANRHFSA-N	419.009	4.802	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccccc2)CC1	1824618448	VXEVYULVCMVKFD-YUXAGFNASA-N	419.009	4.817	50	20	HJGD	
CCCCOc1ccc(/C=C(\C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OC	6210767	RBJVGUUVAISVPH-MHWRWJLKSA-N	409.511	4.853	50	20	HJGD	
CCn1c(NNC(=O)c2cc3sc4ccccc4c3s2)nc2ccccc2c1=O	11162318	QOUWEBKUGAFUMO-UHFFFAOYSA-N	420.519	4.603	50	20	HJGD	
Cc1cccc2cc(/C=C(\C#N)c3nc(N)nc(Nc4ccccc4)n3)c(Cl)nc12	11296570	KXSQKGMRLIYONP-LFIBNONCSA-N	413.872	4.772	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2csc(-c3ccccc3F)n2)cc1	728318420	CMSZJJBSOZJUNZ-LFIBNONCSA-N	408.454	4.998	50	20	HJGD	
Cc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1C(=O)NC(C)C	731281385	IMNVXRCNKZAZEA-UHFFFAOYSA-N	416.525	4.877	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1	731997763	XGCVVDJAUNLINO-LJQANCHMSA-N	415.518	4.664	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cc(C#N)ccc2F)c(C)n1C1CCCCC1	742732785	FSZWLIANBOJGQQ-NDENLUEZSA-N	404.489	4.844	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](c2ccccn2)C(F)(F)F)c(C)n1CC(C)C	747354976	WUDNYPUBYPRFLZ-RPXHZFJKSA-N	405.420	4.910	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3nc(O)oc23)c(C)n1-c1ccccc1F	752988212	GTZOELJOVIKKLF-LFIBNONCSA-N	416.412	4.626	50	20	HJGD	
Cc1cccc(OCC(=O)NN=Cc2c(C(C)C)nn(Cc3ccccc3)c2Cl)c1	754700245	IUEYOPRWPOZJOZ-UHFFFAOYSA-N	424.932	4.546	50	20	HJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)cc1	757393443	YUULCTTXFDVPRH-UHFFFAOYSA-N	418.400	4.891	50	20	HJGD	
COc1cc(F)cc(NNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1	759326846	ULWIQCAFXQFLCL-UHFFFAOYSA-N	413.396	4.539	50	20	HJGD	
CC(=O)N(Cc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1)C(C)C	770032754	QQINBSYBECVZEM-UHFFFAOYSA-N	408.424	4.611	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(OCc2ccccn2)c(F)c1	771166014	QNNODEPVIUFVJU-UHFFFAOYSA-N	404.804	4.741	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(-c2ccccc2Cl)on1	771681232	QMMYRTBGLOBPQB-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2oc3ccccc3c2c1	773769499	WUBDVFOHMVCDBK-UHFFFAOYSA-N	413.355	4.687	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)cn2)oc2ccc(Br)cc12	775256899	YEYWCBHRORDCCT-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
COc1ccc(Oc2ccc(NC(=O)NNc3ncc(Cl)cc3Cl)cn2)cc1	775641430	QFCSMMOUJKESMM-UHFFFAOYSA-N	420.256	4.733	50	20	HJGD	
CN(C)Cc1ccc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	783023314	IGLBJOXKEVPSPN-UHFFFAOYSA-N	423.407	4.983	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nn(C)c2Cl)cc1	787184896	YGCAXWQWWMRLDV-LUJRCDHRSA-N	420.900	4.533	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1ccccc1OCc1ccccc1Cl	788184365	KLSVFROZWDGRSE-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2c(Br)c(C)nn2C)cc1	790600471	CCCGQZBUYIAXAW-GQVHDAKQSA-N	401.308	4.550	50	20	HJGD	
CCc1occc1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	797559266	KRDZKTVFHRFGOH-UHFFFAOYSA-N	405.366	4.618	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)o1	799591557	QPHPJWGNPJQPQZ-UHFFFAOYSA-N	404.257	4.728	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ncc(Cc2ccccc2F)s1	806790632	ZMLUXYKQGFLARQ-UHFFFAOYSA-N	412.277	4.723	50	20	HJGD	
COCCOCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	809147750	UPBKCQKLRWUMJU-YBEGLDIGSA-N	405.281	4.702	50	20	HJGD	
CC(CCc1ccc(OCc2cccc(C(=O)O)c2)cc1)=NNC(=O)c1ccc(C)o1	814867669	AWSQUILWLRVKDY-UHFFFAOYSA-N	420.465	4.604	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)c3ccc4c(c3)OCO4)o2)cc1	915989369	HAAHTHISUXLOSP-WOJGMQOQSA-N	415.401	4.642	50	20	HJGD	
N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	916128936	KQIBZCVYDCHJLO-ZROIWOOFSA-N	409.854	4.707	50	20	HJGD	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1	916141916	UQYVDWZEETZIFC-IZZDOVSWSA-N	407.253	4.565	50	20	HJGD	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NNc1ccc(F)cc1	916162753	NQJUXQMUIPHPMP-UHFFFAOYSA-N	421.856	4.997	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)c2nc(C(=O)OCC)cs2)cc1OC	920387924	QXSKQRJBKCAUBS-NTUHNPAUSA-N	406.891	4.835	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2c(C)n(C3CC3)c3ccc(OC)cc23)cc1C	1324363337	YWAFDQKNXWCXLK-UHFFFAOYSA-N	421.497	4.535	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(OCC)c(OC)c2)c1C	1338244613	ZHWQIDSLXXRERF-JCMHNJIXSA-N	423.557	4.878	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3)CCC2)cc1	1786011439	QVNSUJPKLXDYAB-UHFFFAOYSA-N	416.924	4.767	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cc2c(s1)CCC2	1788580284	PFYJWBGOFGTHQF-QGZVFWFLSA-N	406.910	4.519	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1	1815320819	JRAWFDHSXMTUFY-WBVHZDCISA-N	423.344	4.777	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1	1820559890	LJHIVSOKNXPYQK-DOTOQJQBSA-N	423.344	4.777	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1829068159	IMOXVEPXDUJFCI-LJQANCHMSA-N	411.030	4.864	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N[C@@H](C)c3cccc4ccccc34)cc2C1	9793478	AWXBZGQWLULQJQ-GJZGRUSLSA-N	407.539	4.731	50	20	HJGD	
N#C/C(=C\c1cccnc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	23217187	NDEXLKISBGGYLG-MKMNVTDBSA-N	415.305	4.981	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccccc2C(F)(F)F)cc1OC	45480720	HCLUCYBMRJJXAN-UHFFFAOYSA-N	402.800	4.913	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2csc(COc3ccc(C)cc3)n2)cc1	141393122	BJRMWZPUZDYZHC-ATVHPVEESA-N	419.506	4.975	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(OC)c2)cc(Br)c1OC	212391348	IZLJZNGQDMMPIP-NVNXTCNLSA-N	416.271	4.655	50	20	HJGD	
Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	219903776	FDDRYMROFNVEAS-CXFFPLRNSA-N	421.541	4.855	50	20	HJGD	
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccco1	301218180	LYPIVCFXCFHBOT-UHFFFAOYSA-N	403.360	4.616	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(SC(F)F)c2)c1C	303206456	QCNANEDEOHTJKN-YBEGLDIGSA-N	405.470	4.612	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1	725727948	QTAAAZCCVRCQBX-LTGZKZEYSA-N	415.493	4.738	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1	727101660	AFEHCPGOEUVYMZ-UHFFFAOYSA-N	400.400	4.597	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1ccccc1SCc1c(C)noc1C)c1ccccc1	732133068	OOEKUWHZMYTTFM-GOSISDBHSA-N	423.538	4.539	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)c1ccccc1	732452083	ZBHQPVCJEZNVPO-FCHUYYIVSA-N	421.928	4.954	50	20	HJGD	
Cc1noc(C)c1[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	733764407	IUXXYHBQEGGJKO-KVMVOAJRSA-N	406.461	4.622	50	20	HJGD	
C[C@@H]1C[C@@H](CC(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC(C)(C)C1	734257876	ULLVBIXXNNGTRX-KGLIPLIRSA-N	421.467	4.853	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1	734305441	VJKFVINIGJHMFT-XDHOZWIPSA-N	404.901	4.674	50	20	HJGD	
C[C@H](NC(=S)NNC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	734380638	UTWAPGPFWXHFCO-VIFPVBQESA-N	417.749	4.909	50	20	HJGD	
Cc1nc(CC(=O)NN=Cc2cc(C)c(OCc3ccccc3C)c(C)c2)cs1	734746895	MWMHTXBHCCEXIQ-UHFFFAOYSA-N	407.539	4.649	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccnc(OCC(F)(F)F)c1	741503763	DIPDZBGEAHSLAR-UHFFFAOYSA-N	414.598	4.740	50	20	HJGD	
CC[C@H](C)C[C@@H](C)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	742720392	XCJNSMUIPFYWHB-IQXDWNFHSA-N	423.948	4.965	50	20	HJGD	
CCCCCCn1nc(C(=O)NNc2ccc(Cl)c(F)c2)c2ccccc2c1=O	746698490	HHBMCGRTYLHLSD-UHFFFAOYSA-N	416.884	4.526	50	20	HJGD	
O=C(Cc1csc(Cc2ccc(F)cc2)n1)NNc1ccc(C(F)(F)F)cc1	747589692	KSTCYMBPKPSPRA-UHFFFAOYSA-N	409.408	4.578	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)c(-c2ccccc2Cl)n1	748002850	XVIKDJOJLNUVSC-UHFFFAOYSA-N	413.865	4.624	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccccc2Br)cc1OC	748065814	DXZSFPLPOAOKNM-UHFFFAOYSA-N	413.699	4.657	50	20	HJGD	
COC(=O)c1ccoc1CSc1ccccc1C(=O)NNc1cc(C)cc(C)c1	748366421	QENGHVYISOFDKC-UHFFFAOYSA-N	410.495	4.732	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)CCNC(=O)CCCC[C@@H]1CCSS1	750750079	GEUPBZAFWVZMFB-CQSZACIVSA-N	400.997	4.807	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(COC2CCCC2)cc1	756684170	LMJIBFCGGCWFCP-UHFFFAOYSA-N	411.546	4.515	50	20	HJGD	
N#C/C(=C\c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	759641750	FMVUSVMSIRIDPQ-GXDHUFHOSA-N	420.271	4.515	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC3(CCCN3C)CC2)c(C)n1C1CCCCC1	761146439	NDNBJCZYWYIRCR-OQKWZONESA-N	408.590	4.604	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	765915951	PIOZNXKSIOJQKT-MJGOQNOKSA-N	418.335	4.558	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2Cl)n1	768254159	BLZSJBMTZWSUBH-UHFFFAOYSA-N	413.865	4.624	50	20	HJGD	
CC(C)(C)Cc1nc(-c2cccc(C(=O)NNc3c(F)cccc3Cl)c2)no1	770196538	HPTHNXUQWYLJSO-UHFFFAOYSA-N	402.857	4.875	50	20	HJGD	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNc1ccnc(Br)c1	771560741	JBTVWZBLPMAPBK-VQHVLOKHSA-N	401.091	4.698	50	20	HJGD	
COCC[C@@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccco1	778062303	NJEIVDYCPRCVHB-CYBMUJFWSA-N	421.409	4.993	50	20	HJGD	
COc1cc(F)cc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782987475	LQLHBCFKATUVBG-UHFFFAOYSA-N	421.384	4.970	50	20	HJGD	
CN(Cc1ncnn1CC(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	785927908	URWJKOLAEGFCAM-UHFFFAOYSA-N	421.342	4.865	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc([C@H]3CCCO3)nn2C)c(C)n1C1CCCCC1	790125599	SSHMCGWAGNMVTM-OOIVEFLKSA-N	421.545	4.741	50	20	HJGD	
COc1cc(NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)ccc1Cl	790171668	JZWYJKSMTJLSEB-UHFFFAOYSA-N	412.902	4.814	50	20	HJGD	
COc1cc(NNC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)ccc1Cl	790188422	DVSRULVSGGIVJG-UHFFFAOYSA-N	410.905	4.695	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	791070134	FLIMFMHUUFBCDD-UHFFFAOYSA-N	418.475	4.548	50	20	HJGD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791727007	JUYVZFQDGGPIMU-LBPRGKRZSA-N	412.342	4.505	50	20	HJGD	
CC[C@@H](C)n1ncc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1C1CC1	802037624	NSPQDKJYGRTUDF-MRXNPFEDSA-N	417.513	4.865	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1sc2cccc(F)c2c1COc1ccccc1	804762750	DIEYJIKUMURPNO-UHFFFAOYSA-N	411.433	4.910	50	20	HJGD	
CC[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H](C)S1(=O)=O	806402531	WJAJJTWOEHOXHO-ZYHUDNBSSA-N	422.441	4.773	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc2cc(Br)cnc12	806563901	DCPSBYAANHXSAR-UHFFFAOYSA-N	414.288	4.756	50	20	HJGD	
O=C(CNc1ccccc1)NN=Cc1ccc(-c2ccccc2Br)s1	912783822	XQUUXMHYSQMNEH-UHFFFAOYSA-N	414.328	4.740	50	20	HJGD	
CCn1cnnc1-c1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	914745217	JBILIWCVZCHLBQ-SRZZPIQSSA-N	416.529	4.585	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2	915845761	WSUISWLZAKFUPE-FOWTUZBSSA-N	419.416	4.908	50	20	HJGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc2c(s1)CCCCCC2	916142161	JOZJIZFAACSMAF-KBPBESRZSA-N	402.482	4.537	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc2ccccc2n1	916243147	WQWFKYPHVLXRAW-UHFFFAOYSA-N	420.812	4.820	50	20	HJGD	
COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)ccc1OC(C)C	916294891	JRKLBTPJMWLVTM-UHFFFAOYSA-N	418.493	4.679	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(OC(F)F)cc2)c1C	917353272	NUWFQBRKQUDKEL-UNOMPAQXSA-N	401.457	4.730	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2cncc(Br)c2)c1	1319771365	NPWHBRKWRYVJHE-UHFFFAOYSA-N	412.287	4.667	50	20	HJGD	
C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](Cl)CCC)[nH]n1	1814824514	WGURODBOBOILKS-WMZOPIPTSA-N	406.958	4.578	50	20	HJGD	
Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c1	1830007783	XXRBRCCBTOINKN-OAQYLSRUSA-N	419.009	4.802	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1	1830309394	IPQKCNCRBZZFPA-LEWJYISDSA-N	404.982	4.554	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NCc1ccccc1	5068948	FJROIUHQVJWNRF-CPNJWEJPSA-N	415.880	4.816	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCCC[C@H]1CCSS1	14939770	DDGCBKKVRMNORY-HNNXBMFYSA-N	421.613	4.594	50	20	HJGD	
O=C(NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccccc1	15792525	VLBYTQKBCNUWEF-UHFFFAOYSA-N	419.531	4.663	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2csc(-c3cccs3)n2)cc1	97546155	BAACRPOXLQUNBS-GXDHUFHOSA-N	409.492	4.594	50	20	HJGD	
O=C(NNc1ccccc1)c1cccnc1Sc1ccc(Br)cc1	97637567	BUSOVZPYUDOGRK-UHFFFAOYSA-N	400.301	4.752	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)c1ccccc1Oc1ccccc1	725874628	HDGMPCLTIBZMHE-HNNXBMFYSA-N	421.522	4.734	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)[C@H](C)CC)ccc1OCC(=O)Nc1ccccc1	726429253	HMMVFYHPHVQQRZ-HNMKQIAWSA-N	406.482	4.625	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1c(Cl)cccc1Cl	727781485	OKSZQBMWXIDAPY-UHFFFAOYSA-N	407.688	4.905	50	20	HJGD	
CCC[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	727797565	QJHYTBXRIOYLKL-ZCTPCOKVSA-N	407.558	4.747	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2cccc(Cl)c2Cl)c1	728432720	XUYLWDSIVVUGKC-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1C	730036873	SOCKRRUBPZACLE-UHFFFAOYSA-N	411.477	4.880	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)nc2ccccc12	730287456	LWNXKIBWXJKBDS-UHFFFAOYSA-N	408.436	4.768	50	20	HJGD	
CC(C)(C)n1cc(/C=C(/C#N)C(=O)NCc2ccco2)c(-c2ccccc2Cl)n1	731211214	SMOSGSYOHRNXKN-PTNGSMBKSA-N	408.889	4.775	50	20	HJGD	
COC(=O)NCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cc1	735259561	QHZXVRCMSMJLAM-BKUYFWCQSA-N	422.529	4.553	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C)c1cc(F)ccc1F	740799931	WPOJYDKRWPGRJL-KOGNSTDNSA-N	415.484	4.765	50	20	HJGD	
C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CCCCC1	743925052	YWASZXJOMFLKDH-GTNSWQLSSA-N	422.900	4.929	50	20	HJGD	
O=C(NN=Cc1cnc2ccccc2n1)c1ccc(COc2ccc(Cl)cc2)cc1	744712955	DBLVDFWGNMUCCQ-UHFFFAOYSA-N	416.868	4.626	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)N[C@H](c1cccs1)C1CC1	745406355	COETXXQXFSVXPY-ZDUSSCGKSA-N	402.264	4.566	50	20	HJGD	
COc1cc(C(=O)NNc2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1	748046639	ZGTYMOJODGIFGK-UHFFFAOYSA-N	407.857	4.556	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1nc(-c2ccccc2)no1	748710475	AFXDSIQUAFODBU-UHFFFAOYSA-N	416.437	4.685	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Oc2ccncc2)c(Cl)c1	748710956	KRFGSAPPDBAOCU-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3cccc4cnccc34)c2C(F)(F)F)cc1	748754448	SGZHXFMXTVNLRQ-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NNc2cccc3cnccc23)c1	748769538	JMJXYQVXVYVDMX-UHFFFAOYSA-N	411.893	4.565	50	20	HJGD	
Cc1cnc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)s1	750086587	KCHMVUSCBLJKSJ-PACYTGELSA-N	408.502	4.783	50	20	HJGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	750818029	MWUMBOLMLXCXDG-AQTBWJFISA-N	407.901	4.600	50	20	HJGD	
O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)NN(Cc1ccccc1)c1ccccc1	758705179	CJIBGPSMYYQILM-ISKFKSNPSA-N	419.500	4.967	50	20	HJGD	
O=C(NCC1CCSCC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762660822	DINYLNCUCMNKSN-UHFFFAOYSA-N	404.426	4.542	50	20	HJGD	
CC(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	762671268	NGSDZZRMCBRYKV-GXTWGEPZSA-N	416.412	4.602	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(Sc2ccccc2Cl)nn1	764323735	GBAMARRIRCJSTF-UHFFFAOYSA-N	409.273	4.831	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	764559261	PDNFCJAFWBHQTA-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)c3ccccc23)cc(C#N)n1C	765816845	NPHHBSIHNVDISN-NGWPFTMJSA-N	402.885	4.796	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1	768244493	RMCOPAWCYCVJJN-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1cccc(NC(=O)Nc2ccccc2)c1	769947884	YRUZWONVVBEADC-UHFFFAOYSA-N	415.375	4.897	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1ccc(Sc2ccccc2Cl)nn1	770198713	ZTFPUELJWRMWFZ-UHFFFAOYSA-N	409.273	4.831	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NNc3cc(Cl)ccn3)s2)cc1	778670149	NHSMHUJYCDSUCQ-LBPRGKRZSA-N	417.922	4.563	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)C2CCCC2)ccc1OCC(=O)Nc1ccccc1	781554758	VKHKRKSXABCSTK-XSFVSMFZSA-N	418.493	4.769	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cn(C)nc1C1CCCCC1	783685587	PHOLADQQMBDRAM-YBEGLDIGSA-N	412.921	4.984	50	20	HJGD	
O=C(O)[C@@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1cccs1	790617905	VPVQKSALEOOYSA-NSHDSACASA-N	423.406	4.510	50	20	HJGD	
CO[C@H]1CCOc2c(NC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)cccc21	791094816	SXQUFFOIEUTADY-LPRAYXGFSA-N	407.514	4.777	50	20	HJGD	
COc1ccc(NNC(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)nc1	791906974	SSYKYUJLDZFYSC-UHFFFAOYSA-N	420.256	4.733	50	20	HJGD	
C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	796114461	KTXBVFOXSBZUHM-CHWSQXEVSA-N	420.469	4.591	50	20	HJGD	
O=C(NNc1ncccc1F)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2	804217280	WJCQXQYMCVLVKY-PFONDFGASA-N	414.440	4.996	50	20	HJGD	
Cc1cc(Br)c(C(=O)NNc2ccccc2Br)cc1Cl	804466908	QZSZEVHZBPBRSC-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
CC(C)NC(=O)OC1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	806401429	LQNGNBDSWLWQLY-UHFFFAOYSA-N	403.373	4.695	50	20	HJGD	
CC(C)n1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)nn1	806570646	GIFRHVVRQNSYPS-YBEGLDIGSA-N	420.542	4.826	50	20	HJGD	
CC(C)(C)OC(=O)N1CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21	810053670	SNRASXBECYJJSX-PDGQHHTCSA-N	406.442	4.721	50	20	HJGD	
Cn1nc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1C1CC1	810447151	LKMURNBRXRTLAR-UHFFFAOYSA-N	410.368	4.532	50	20	HJGD	
O=C(NCc1nc2ccccc2s1)NNc1ccc(Br)cc1Cl	811990062	RGWAACQVCGMUDC-UHFFFAOYSA-N	411.712	4.539	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1	813047021	MLVFKERIFRPFQW-ZOBUZTSGSA-N	412.559	4.560	50	20	HJGD	
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NNc2ccccc2C)c1	865511444	FILFQSSKXRAUFO-UHFFFAOYSA-N	412.493	4.922	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccc(C)cc1C	914514720	LPWHSOXAYYQDMF-SINAZASISA-N	405.542	4.861	50	20	HJGD	
CCCCn1nc(C)c(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c1Cl	915906462	NABORPULBUDLHG-UHFFFAOYSA-N	411.937	4.816	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)[C@H](C)c1ccc(F)cc1	916486217	DGHHCAVEGOQXSR-KIDPUWIBSA-N	411.521	4.968	50	20	HJGD	
O=C(NNC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc2ccccc2c1	918108640	JYKJQSYBGPKVBU-UHFFFAOYSA-N	413.458	4.784	50	20	HJGD	
CCC(CC)[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1OC)c1cccs1	918136455	UFDXZVFNHJKPSL-KRWDZBQOSA-N	409.939	4.532	50	20	HJGD	
O=C(NCc1cccnc1Oc1cccc(F)c1)NNc1ccccc1C(F)(F)F	918204385	BDBFCKDINQIILJ-UHFFFAOYSA-N	420.366	4.858	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NC1CCN(Cc2ccc(F)c(F)c2)CC1	918345131	PQTOHMLCRCVMCJ-KRWDZBQOSA-N	414.587	4.760	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@H]1CC(=O)N(C2CCCC2)C1	918559315	OMAUDUOMHJSMQO-APPDUMDISA-N	420.884	4.636	50	20	HJGD	
CCc1nc2cc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)ccc2o1	918639591	FCONMNYAYMBPIA-ZMUHTPIZSA-N	418.497	4.533	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@]3(F)CCCCC3(F)F)cc2)CCC1)[C@@H](F)Cl	1789164066	ICGXRWOHGFYRDF-KDOFPFPSSA-N	420.834	4.573	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1	1790285902	ZMZZAKNWHLVBQZ-FQEVSTJZSA-N	409.917	4.713	50	20	HJGD	
C[C@]1(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)CC=CCC1	1791992916	CTRZIIPKUMQMGY-QFIPXVFZSA-N	414.622	4.718	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1824615545	DUUNXKSDRZRUCI-GOHIESPPSA-N	409.014	4.760	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2C)CC1	1829950151	PXYQGPBPGUHUPY-RTWAWAEBSA-N	404.982	4.554	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2)CC1	1830058270	MRQFRGORMDPDJL-LEWJYISDSA-N	404.982	4.636	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1c(Cl)cccc1Cl	728176630	XFPSEVUWOYTXTC-JYRVWZFOSA-N	401.228	4.864	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccc(N2CCCC2)nn1	728221584	MBCGDKHFWVQYCC-INIZCTEOSA-N	416.856	4.548	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)n1	730209940	XJCZAFUBSGKJQH-GOSISDBHSA-N	416.909	4.863	50	20	HJGD	
Cc1cc(Cl)ccc1O[C@@H](C(=O)NNc1oc(C(C)C)nc1C#N)c1ccccc1	730215704	JQSUPENCZSUDNK-LJQANCHMSA-N	424.888	4.895	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)c1C	731172205	WUYDVMNDPHYEQZ-KGENOOAVSA-N	420.557	4.897	50	20	HJGD	
N#C/C(=C\c1ncc(-c2cccc(Br)c2)[nH]1)C(=O)Nc1ccc(F)cc1	731939171	VHFUAWCIFSTUEM-UKTHLTGXSA-N	411.234	4.524	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)s1	734067880	AIEQYBSVDVHSOV-NSHDSACASA-N	406.722	4.804	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(Cl)ccc2Br)ccc1Br	734253095	RMMUHCHJGJLTCX-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccc(Br)c(C)c3)o2)cc1	734253341	UKPJMNOGOAAHTI-UHFFFAOYSA-N	413.271	4.977	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1c(-c2ccccc2)nn(C)c1Cl	734752276	CSUGSEZSZHTDCK-SSZFMOIBSA-N	406.873	4.685	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](Cc2ccccc2)c2sccc2C)cc1	737067961	REWFQOSSBQCOMS-HXUWFJFHSA-N	407.539	4.547	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)Nc1ccccc1F	743057781	DGVLUKAJUWYYQO-OBHPCNEJSA-N	400.837	4.583	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	743337166	SMOPJYYUPGGDIW-UHFFFAOYSA-N	410.355	4.578	50	20	HJGD	
Cc1ccc(Sc2ccc(C(=O)NNc3ccc(Cl)nc3)cc2[N+](=O)[O-])cc1	743815152	UGTCKIOJTIJPLH-UHFFFAOYSA-N	414.874	4.860	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c1C	745982553	XVBQOHXXKTVIGM-KGENOOAVSA-N	421.541	4.945	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C	746820735	KGTCDSXAOCGVND-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cccc1[N+](=O)[O-]	748681718	TZUDEFHPBQQXOY-UHFFFAOYSA-N	417.421	4.985	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748694065	IALLEUWDWBHQHL-UHFFFAOYSA-N	424.810	4.532	50	20	HJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	750044447	VDMQCLWYUDKHSK-YEWRBRKMSA-N	419.416	4.528	50	20	HJGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1nc(-c2cc(Cl)ccc2Cl)cs1	753896754	CVOYRAJHIUUEOX-JYRVWZFOSA-N	424.353	4.955	50	20	HJGD	
COc1cc(Cl)c(C=NNC(=O)c2cc(F)ccc2Br)cc1Cl	753922367	STWDAHBQMYVWJT-UHFFFAOYSA-N	420.065	4.668	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1csc(-c2ccc(Cl)cc2)n1	754469420	AFMUWHJBUGIDQO-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
C[C@H](CCCC(F)(F)F)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	755295431	DUYHHVWNSZWFHM-CQSZACIVSA-N	408.424	4.810	50	20	HJGD	
O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)Nc1cccc(N2CCCC2)c1	756239016	XDQLZIWKUAJVIJ-UHFFFAOYSA-N	424.501	4.621	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)c1	759315018	NXHKCYWVNRWJLN-UHFFFAOYSA-N	410.371	4.541	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(C(=O)NNc2ncnc3ccsc23)cc1Cl	761953383	SCGRBDGMKKFHMC-UHFFFAOYSA-N	421.869	4.766	50	20	HJGD	
Cc1sc(Cl)nc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	762863754	CEEFRQHBSLOVKA-UHFFFAOYSA-N	414.634	4.643	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	767310729	BRPNLYNPUNANNL-AWEZNQCLSA-N	413.699	4.933	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)c1	769072273	AXIPLAQTKICKET-LJQANCHMSA-N	413.264	4.523	50	20	HJGD	
COc1ccc([C@H](CN2CCCC2)NC(=O)CCCC[C@H]2CCSS2)cc1	770537084	VXFUTNPKRHXQJX-PMACEKPBSA-N	408.633	4.662	50	20	HJGD	
Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NNc1ccccc1C(F)(F)F	772669053	MDDXKGYZEKTCRB-UHFFFAOYSA-N	411.334	4.533	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C[C@H](C)Cc2ccc(Cl)cc2)c1C	772918077	POVRFJPQCOINAR-CQSZACIVSA-N	409.921	4.521	50	20	HJGD	
Cn1cccc1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772930261	XBEMHECMXDRFKF-HNNXBMFYSA-N	423.407	4.985	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1C	774161397	CHJCXELIFRUYLU-LICLKQGHSA-N	410.543	4.528	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cnc(C(C)(C)C)s2)c1C	774546371	ZOXUVBRUAUJKMR-FNMPFJKNSA-N	415.559	4.717	50	20	HJGD	
Cc1cc(/C(C#N)=C\c2cn(C)nc2-c2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-]	774559898	TZBAVXAYRLOPOV-WQRHYEAKSA-N	416.437	4.529	50	20	HJGD	
CC[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2	775202519	ICGQMTFBJICYSJ-HSZRJFAPSA-N	421.477	4.513	50	20	HJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1	775248007	OKCNYKDPZLPEAH-UHFFFAOYSA-N	412.371	4.830	50	20	HJGD	
COc1ccc([C@H](NC(=O)NNc2ccccc2OC(F)(F)F)C(F)(F)F)cc1	779457612	HJZDJTFKZTWXOJ-AWEZNQCLSA-N	423.313	4.524	50	20	HJGD	
COc1ccc([C@@H](NC(=O)NNc2ccccc2OC(F)(F)F)C(F)(F)F)cc1	779457613	HJZDJTFKZTWXOJ-CQSZACIVSA-N	423.313	4.524	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NS(=O)(=O)CCCCCl	780772636	DQNBZRVBSWVKAP-LBPRGKRZSA-N	407.388	4.771	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2OC)o1	781122274	HJKMIANKVHTTJC-UHFFFAOYSA-N	405.498	4.561	50	20	HJGD	
Cc1cccnc1NNC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1	791217253	OSTPZKQPBDVZIN-UHFFFAOYSA-N	400.265	4.685	50	20	HJGD	
Cc1ccc(C(=O)NNc2nc3ccccn3n2)c(Sc2ccc(Cl)cc2)c1	791264662	ZBLVCVQIPQIDDV-UHFFFAOYSA-N	409.902	4.599	50	20	HJGD	
O=C(NN=Cc1c(Cl)nc2cc(Cl)ccn12)c1ccc(Cl)cc1Cl	794878781	IVJDTCFUUYBFMQ-UHFFFAOYSA-N	402.068	4.712	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	798311351	PFYDOZXZBUBWSU-JKSUJKDBSA-N	406.511	4.507	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1	802567924	GIRFZNNGEHLPEK-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
N#Cc1ccc(Oc2cccc(NC(=O)NNc3nccnc3C3CCC3)c2)cc1	806258636	XAPGSMVANZRGKS-UHFFFAOYSA-N	400.442	4.557	50	20	HJGD	
COc1ccc(CCn2c(C)cc(-c3csc(/C(C#N)=C(/C)N)n3)c2C)cc1OC	806552981	CWGIIJLZUPSHSJ-CYVLTUHYSA-N	422.554	4.702	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc(OC)c1OCC(F)F	809145913	JKHCTGZLGXKYTC-IUXPMGMMSA-N	424.403	4.686	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812246940	XBWXWFQOBRLBKH-GXDHUFHOSA-N	412.371	4.527	50	20	HJGD	
CC(CCc1ccc(O[C@H](C)C(=O)O)cc1)=NNC(=O)c1ccc(Cl)cc1Cl	814762363	XUAHOUDUUKDHRC-CYBMUJFWSA-N	423.296	4.584	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c(C)n1C1CCCCC1	818788385	IVXHDRQCFNHQJO-DLBLZJNESA-N	421.585	4.935	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccc(OC[C@H]3CCCO3)cc2)n1	834721774	HNODKGUFAIBLDW-MUMAZLPKSA-N	411.527	4.544	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)[C@H](C)c1ccc(C#N)cc1	914509691	XVTUDEBGRZPQDT-OGHMMLIOSA-N	418.541	4.701	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)CCC(=O)N3)c1C	914737017	YQHLVBGCZPHNTP-BKUYFWCQSA-N	424.504	4.833	50	20	HJGD	
COc1ccc(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c2ccccc12	915946696	RZRFBJGHLQHYNU-UHFFFAOYSA-N	423.687	4.550	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NNC(=O)c1ccc(Cl)nc1	915979130	PRWBLMSSTLMXKO-UHFFFAOYSA-N	415.884	4.660	50	20	HJGD	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1	916140998	UMPIHUJIOQUGBC-NYYWCZLTSA-N	407.253	4.565	50	20	HJGD	
C[C@H](Sc1ccccc1Cl)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	916735697	AGNWMZLGSVLARA-VIFPVBQESA-N	403.718	4.589	50	20	HJGD	
O=C(NCc1ccccc1N1CCCC1)NN(Cc1ccccc1)c1ccccc1	919923170	NMPUUXVKSTWOTD-UHFFFAOYSA-N	400.526	4.708	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(COc3ccccc3[N+](=O)[O-])o2)c(C)n1CC(C)C	1118132045	NZXILNJORGWVBA-ZDLGFXPLSA-N	421.457	4.695	50	20	HJGD	
CCOC(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	1331093250	DDDBZPMSAWTNHE-YBFXNURJSA-N	415.474	4.688	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccoc1C(F)(F)F	1788724898	UIWBJWXDLNPGHT-AWEZNQCLSA-N	418.774	4.581	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CO[Si](C)(C)C)CCC2)cc1	1789456255	OIJIFYUOFQEXND-FQEVSTJZSA-N	414.622	4.740	50	20	HJGD	
CCc1ncsc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1	1790196408	LLXJSKHHEYJLNO-UHFFFAOYSA-N	419.978	4.718	50	20	HJGD	
CC/C=C(\C)C(=O)NC1(c2ccc(NC(=O)[C@H](Br)CC)cc2)CCC1	1791365198	LFMNFHMWMSHVJS-OEXZBZRSSA-N	407.352	4.650	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(F)c3s1)C2	1793681040	VLCRWRRSZGKGTP-FZKCQIBNSA-N	422.953	4.700	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)cc2C)n[nH]1	1820477836	DJIWYEJOCVUWEN-MJGOQNOKSA-N	416.953	4.740	50	20	HJGD	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)c3ccoc3C)cc2OC)cc1	8238046	PPEIHBXUSJDIKE-LDADJPATSA-N	417.417	4.614	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCCCc2nc3ccccc3s2)c1C	28615819	BUXJGCUNYVOSLX-UHFFFAOYSA-N	412.584	4.644	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H](C)c2c(Cl)cccc2Cl)cc1	725880493	BQCZGLYNXVBRBB-LLVKDONJSA-N	412.342	4.513	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	727379998	DJUSTBXSHSEXOD-GVDBMIGSSA-N	416.653	4.995	50	20	HJGD	
O=C(NN=Cc1cccc(OC(F)(F)F)c1)c1ccc(Br)cc1Cl	728782483	NSIVLGSRXDDSFQ-UHFFFAOYSA-N	421.600	4.765	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)c2ccc(Br)s2)c1	732926736	TUMJACRIYHMGCV-UXBLZVDNSA-N	414.227	4.910	50	20	HJGD	
O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)NNc1ccccc1	734267269	CIFKNPVWRGHMEU-UHFFFAOYSA-N	400.526	4.776	50	20	HJGD	
CCC(CSc1ccc(Cl)cc1)=NNC(=O)c1nn(-c2ccccc2)cc1O	734296977	QMOPWFQQUDQZPJ-UHFFFAOYSA-N	414.918	4.519	50	20	HJGD	
CC(C)(C)c1ccc(OCc2ccc(C(=O)NNc3ccc(Cl)nn3)cc2)cc1	735689327	QIAFFCGJMYVMES-UHFFFAOYSA-N	410.905	4.763	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCOC[C@H]2c2ccc(CC)o2)c1C	736059181	UWCYLGCSCGGULK-PZHBDVNGSA-N	409.530	4.568	50	20	HJGD	
COc1cc(C=NNC(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1cccs1	741767667	XQDPXJBHHNLKCM-UHFFFAOYSA-N	424.526	4.557	50	20	HJGD	
CCC(CC)(C(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	743753839	LJRZSEGWVUFWDH-UHFFFAOYSA-N	423.738	4.622	50	20	HJGD	
COc1ccccc1C[C@@H](C)N(C)CCP(=O)(c1ccccc1)c1ccccc1	744413034	METIAOHVCRTGCS-OAQYLSRUSA-N	407.494	4.572	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc2cccnc12	747355880	GNTLRVNSQYVKQZ-UHFFFAOYSA-N	402.435	4.635	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc(NC(=O)c2cccs2)c1	747588453	ISBBSGDZNGJVQR-UHFFFAOYSA-N	405.401	4.776	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cccc(NC(=O)c2cccs2)c1	748067964	HEVMQWMQYDXIMV-UHFFFAOYSA-N	416.300	4.520	50	20	HJGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1ccc(F)cc1Br	748077640	ZQYCBLOXVFNRJU-UHFFFAOYSA-N	418.266	4.709	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3cccc4c3CCCC4)s2)cc1OC	748577938	TVUGIJHNXGZUSH-UHFFFAOYSA-N	423.538	4.771	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(-c2ccc3c(c2)OCCO3)s1	748637956	NHAHIPKKSRTDQL-UHFFFAOYSA-N	418.421	4.545	50	20	HJGD	
CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NNc1ccc(OCC(F)(F)F)cc1	748701788	BVZXBPPMJFYUPH-JEMSNHSXSA-N	408.420	4.962	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(Cl)ccc1OC(F)F	748732319	TWCLKUIMDGKCSN-UHFFFAOYSA-N	405.626	4.769	50	20	HJGD	
O=C(NNC(=S)NC12CC3CC(CC(C3)C1)C2)c1sc2ccccc2c1Cl	750973606	KSAZJEAELQJNMW-UHFFFAOYSA-N	420.003	4.632	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CSCc1ccc(Cl)cc1Cl	751165794	ZTUBTCHXDMCUFS-UHFFFAOYSA-N	402.255	4.749	50	20	HJGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3ccc(OC(F)(F)F)cc3)c2c1	752144489	YVJXNAYNOLQSMP-UHFFFAOYSA-N	417.387	4.776	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](C3CCOCC3)C2)c(C)n1C1CCCCC1	754883551	AETGRMMLWYVDCV-CPOKCXMASA-N	409.574	4.792	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)Nc1ccccc1SC(F)F	755466415	DELKEBBVZFMZCV-UHFFFAOYSA-N	417.890	4.600	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1cccc(COC(C)C)c1	756222083	LTDFDGCWHRILPW-UHFFFAOYSA-N	424.526	4.510	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1	759322987	YZNPIRQJLBOLAF-UHFFFAOYSA-N	403.413	4.913	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NNc3c(F)cccc3Cl)c12	770197620	RJFFBQKAQBUEQZ-UHFFFAOYSA-N	415.900	4.922	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C	771697391	OSIKUDXKSOLVKQ-UHFFFAOYSA-N	401.825	4.698	50	20	HJGD	
Nc1nc(Cl)cc(NNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n1	779373410	LWSDFLBMVGBMMJ-UHFFFAOYSA-N	423.112	4.644	50	20	HJGD	
COCC[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccco1	782983017	GWTHUFKNECMACM-ZDUSSCGKSA-N	421.409	4.993	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	783289627	OWHSYTJWZLKNPK-UHFFFAOYSA-N	418.881	4.577	50	20	HJGD	
N#C/C(=C/c1cnc(-c2ccc(Cl)cc2)s1)C(=O)Nc1ccc(C(=O)O)cc1	789131114	UHROTUPEGAOFKH-ZROIWOOFSA-N	409.854	4.707	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(Br)cc2)c1C	789930899	JCPWFOUYKAVXDL-XGHPXPSOSA-N	417.303	4.587	50	20	HJGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791147990	OIBNGXKICZKDAS-UHFFFAOYSA-N	416.478	4.836	50	20	HJGD	
Cc1cccnc1NNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1	791224692	FQWZYHBDCJASEQ-HSZRJFAPSA-N	402.523	4.643	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NNc1nccnc1C1CCC1	806366825	FDHJRRBMHRLKNN-UHFFFAOYSA-N	412.494	4.548	50	20	HJGD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	808957346	DRXAXLXGADRJKQ-ZUZCIYMTSA-N	422.375	4.921	50	20	HJGD	
CCOc1ccc(C(=O)NN=C/C(C)=C\c2ccccc2OC(F)F)cc1OC	811634100	CNRZSJFJLLPAFD-YYCSMSEJSA-N	404.413	4.514	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)co2)c1C	816509309	MBWLEONSDHCGKN-MBTVCVBTSA-N	404.470	4.513	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c1C	915169416	MQFMKOQEQAMVFH-VYRZTJTDSA-N	421.541	4.566	50	20	HJGD	
Cn1c(/C(C#N)=C/c2cnn(-c3ccc(Br)cc3)c2)nc2ccccc21	917145338	OIPYFYKUSWWTND-XNTDXEJSSA-N	404.271	4.586	50	20	HJGD	
COc1cc(C(=O)NN=C(C)CCc2ccc(F)cc2)ccc1OCCC(C)C	917540244	MPNKYWMMQULBHY-UHFFFAOYSA-N	400.494	4.998	50	20	HJGD	
Cc1ccc(SCC(=O)NN=Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1	917540513	UBTFTCMHJUGNJV-UHFFFAOYSA-N	412.946	4.693	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C#N)c2nc3ccccc3n2C)cs1	917563678	RWNGWCGRYIGAQN-PTNGSMBKSA-N	417.469	4.918	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1	918608768	IESNYMAVIQDYJQ-STZFKDTASA-N	414.509	4.999	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)c3cccs3)CC2)c(C)n1CC(C)C	1331474821	WBRVJIJGKQVUHT-BKUYFWCQSA-N	423.582	4.851	50	20	HJGD	
Cc1cc(Br)cc(C=NNC(=O)c2ccccc2Cl)c1OC(F)F	1337346241	RNOQBJUGCKDYQZ-UHFFFAOYSA-N	417.637	4.776	50	20	HJGD	
C[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)CCC3CCCC3)cc2)CCC1	1787619530	MYDSJFHMZQFYGD-OAHLLOKOSA-N	421.379	4.874	50	20	HJGD	
CCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)CBr)CCC2)cc1	1791258458	JMQOOMKZPJKZEO-CQSZACIVSA-N	409.368	4.588	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2cccs2)n[nH]1	1822703835	OTKFTBNABNEPGO-YCPHGPKFSA-N	422.982	4.675	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1	1830309104	FWARQFQIMUMFRY-RBUKOAKNSA-N	411.373	4.591	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2Cl)CC1	1830309898	MSBZCDYWOAOJIX-ZBFHGGJFSA-N	417.402	4.652	50	20	HJGD	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)Nc1ccccc1C(F)(F)F	82070256	PVTWNYGGSLBIGY-XFFZJAGNSA-N	411.177	4.719	50	20	HJGD	
O=S(=O)(Nc1cccc(Oc2ccncc2)c1)c1ccc(CCCCl)cc1	303422918	BBHZQQRESYCCAL-UHFFFAOYSA-N	402.903	4.846	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(CN2C(=O)CSC2=O)cc1	725715171	VKKAUMJADKOGAN-OAHLLOKOSA-N	410.586	4.535	50	20	HJGD	
O=C(NN=Cc1c(F)cccc1N1CCCC1)c1ccc(Br)cc1Cl	728782645	OPEIXJFWERRGPI-UHFFFAOYSA-N	424.701	4.606	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)c1C	729539815	QGDBEDNFEDFDER-IDCRMVTHSA-N	421.541	4.999	50	20	HJGD	
N#C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccccc1Cl	733083552	LMTCKFSZOZOKMU-MDWZMJQESA-N	410.842	4.917	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccccc2Nc2ccccc2)c1C	734259047	BKIUAJSTPHDVMA-UHFFFAOYSA-N	410.481	4.656	50	20	HJGD	
CCCCOc1ccc([C@H](C)NC(=O)NNc2cc(F)c(F)cc2F)cc1OC	734662225	WXNWPLAKXKVVSJ-LBPRGKRZSA-N	411.424	4.679	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)c1	738555674	GRKHOBQWRCFYIJ-AWEZNQCLSA-N	409.477	4.519	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	740092801	AFXIGWHAGAEYNI-UHFFFAOYSA-N	417.231	4.895	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cc(F)c(F)c(F)c3)c3c(C)noc3n2)c(C)o1	746700864	DGWDQKBIEYVHIY-UHFFFAOYSA-N	416.359	4.582	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cccc3cccnc23)cc1OCc1ccccc1	747362167	QDODWTWVYLSDTA-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
Cc1cc(O)c(C(C)C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	748128948	HUJXRTGRSFGUGQ-IOAQBMTJSA-N	421.541	4.967	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12	751171001	WFEFNNPGWNVDRK-UHFFFAOYSA-N	419.393	4.643	50	20	HJGD	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	752015350	VQQPJFSERHSUBN-VBKFSLOCSA-N	406.438	4.961	50	20	HJGD	
CCSCc1ccnc(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)c1	761960134	JEUPNVFMEMWISI-MBTVCVBTSA-N	412.559	4.506	50	20	HJGD	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NNc1nccc2sccc12	768062986	GBYUMWAUIADTIU-JTQLQIEISA-N	408.296	4.520	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3cc(Cl)ccc3Cl)s2)cc1OC	768091359	VCANEKCACUAAKE-UHFFFAOYSA-N	424.309	4.891	50	20	HJGD	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCCC[C@@H]1CCSS1	772196387	SPVUGUUBXFLBPI-BZUAXINKSA-N	402.626	4.605	50	20	HJGD	
COc1cc(/C=C(/C(=O)NNc2cc(F)c(F)cc2F)c2ccccc2)ccc1O	773469738	RRSHKXNRPTWGBL-OQLLNIDSSA-N	414.383	4.502	50	20	HJGD	
N#Cc1cccc(NNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1	775983636	OHWIQKSHLXFQAE-CQSZACIVSA-N	402.298	4.507	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NNc3cc(Cl)ccn3)cc12	778446621	WMTNPQLIORHNMA-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
CC[C@H](C)Oc1cccc(NC(=O)C(=O)NN(Cc2ccccc2)c2ccccc2)c1	782824764	OGQMUYBZFKZCSE-IBGZPJMESA-N	417.509	4.540	50	20	HJGD	
O=S(=O)(NCc1cccc2c1OCO2)c1ccc(S(F)(F)(F)(F)F)cc1	782984819	WXNIUKDFPSWIDA-UHFFFAOYSA-N	417.377	4.551	50	20	HJGD	
C[C@@H]1CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1	795072768	GYAAFISXMNJJPK-HGJFSVCJSA-N	417.387	4.940	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1	804174023	KIAFOMQSDMSQDY-LDADJPATSA-N	418.415	4.592	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2c(F)cncc2F)c(C)n1-c1ccccc1F	804825617	AVEIZWNQNQWGEV-IREQLNLFSA-N	424.426	4.691	50	20	HJGD	
COCCOCc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	809147982	ZHBXGIPYVZBUQG-PXNMLYILSA-N	405.281	4.702	50	20	HJGD	
C[C@H]1SCCC1=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	814704345	UZYOENXVLZLABY-OAHLLOKOSA-N	415.518	4.611	50	20	HJGD	
CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccco1	915908654	IFHCCFWDAYJPRI-UHFFFAOYSA-N	409.445	4.747	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1cc2ccccc2o1	916227914	OTRTVESVYYIRRB-NRFANRHFSA-N	402.410	4.757	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1C	917748032	PUJDIJBOUCWAOJ-FYJGNVAPSA-N	424.508	4.770	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)n1	920388178	SVCLADJCLFJFAJ-XYOKQWHBSA-N	416.865	4.671	50	20	HJGD	
C[C@H](CC(C)(C)c1ccccc1)NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	921125425	MYKHPLILINWQAH-CYBMUJFWSA-N	408.329	4.694	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(C)n3)cc2)CCC1	1788349670	OROBURGPEJRFOJ-LJQANCHMSA-N	413.949	4.854	50	20	HJGD	
C[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)Oc1ccccc1	1788588920	PLERBADDWFZOFU-MGPUTAFESA-N	418.896	4.513	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cc2[nH]ccc2s1	1789103469	SJNOYNZMFPSSPX-MRXNPFEDSA-N	405.882	4.512	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3onc4ccccc34)CCC2)cc1	1790490046	QKRPHBHRSJZBPS-QGZVFWFLSA-N	411.889	4.593	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3)CCC2)cc1	1790492164	UTPNIANWRFAVJX-NRFANRHFSA-N	419.352	4.600	50	20	HJGD	
N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCCCl)C2	1795858637	YWXLMJMYDCCADU-ACDBMABISA-N	410.002	4.678	50	20	HJGD	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1823751011	HFIJQVCQSKFFIW-LJQANCHMSA-N	411.030	4.864	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1	1824870368	BUZVYXZRCBRFFD-IAGOWNOFSA-N	424.935	4.746	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2Cl)CC1	1829446757	MIOPDXRYUFMVQQ-ZBFHGGJFSA-N	417.402	4.652	50	20	HJGD	
Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c1	1830552818	XPDYGRWODCDYHT-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
CCn1c(C)cc(C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1C	728225378	PHWCDONQMSZMIC-UHFFFAOYSA-N	421.570	4.588	50	20	HJGD	
Cc1cccc(NNC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)c1	731784465	TZAFWGOMYDBOFS-UHFFFAOYSA-N	414.303	4.797	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cc3ccccc3nc2O)c(C)n1CC(C)C	733396666	ZOVRCLPTLLEIJM-JAIQZWGSSA-N	403.482	4.665	50	20	HJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)cc1	737817906	CGPDBWNJLJGKLM-OAHLLOKOSA-N	421.463	4.853	50	20	HJGD	
Cc1cccc(NNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1	738508702	DJZNERODFRJSJD-UHFFFAOYSA-N	422.325	4.634	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@](C)(O)c2ccsc2)c(C)n1C1CCCCC1	740937993	JRVPQLDKLGPNDO-JDDNKDTNSA-N	411.571	4.603	50	20	HJGD	
Cc1nnc(-c2ccc(NC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)cc2)o1	741735520	HIYXEJJMOKPZLF-JAIQZWGSSA-N	403.486	4.665	50	20	HJGD	
CCN(c1ccc(C(=O)NNc2c(F)cc(F)cc2Br)cc1)C(C)C	741981490	LYQLTYCLZFHANP-UHFFFAOYSA-N	412.278	4.719	50	20	HJGD	
CN(C)c1cccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	742005565	YUWPSFKBOUQESM-UHFFFAOYSA-N	403.107	4.579	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1cc(Cl)ccc1Br	743425921	BABPKPHPWXJBBI-UHFFFAOYSA-N	418.143	4.998	50	20	HJGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1	743632883	JIRYAKDMYUYPPR-UHFFFAOYSA-N	410.301	4.662	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3c(C)cc(C)cc3C)s2)cc1OC	743764221	FJUULBYQRPRSTO-UHFFFAOYSA-N	411.527	4.818	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccc(Cl)cc2)n1)c1cccc2cccnc12	747356713	GWGMRGPIJPIBKH-UHFFFAOYSA-N	422.897	4.688	50	20	HJGD	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1cccc(F)c1	748098784	ATQGTNQZAVGBMH-LBPRGKRZSA-N	405.882	4.899	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(C)C)c(O)cc2C)c1C	748130249	UYWNBOIMTRVSKN-MZYRPWKCSA-N	409.530	4.995	50	20	HJGD	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	752485490	NXNINNWKQXERLD-COYFKBPASA-N	409.461	4.957	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)Nc3cccc(Oc4ccccn4)c3)cc2C1	756821958	XYMZRJKXSHKSQS-CQSZACIVSA-N	422.510	4.527	50	20	HJGD	
O=S(=O)(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc2c(c1)OCCO2	762456952	NHIMKKHVIOVSSD-UHFFFAOYSA-N	417.377	4.916	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1csc(-c2ccc(F)cc2)n1	767900258	QQSHBEDBRTWVSK-DHDCSXOGSA-N	423.469	4.861	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc(C[S@](=O)c2ccccc2)c1	771154775	UQWIZLPLAMAFAH-NDEPHWFRSA-N	417.893	4.936	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	777482341	HZYRFPSCSSIYFM-UHFFFAOYSA-N	405.461	4.910	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(N3CCC[C@@H]3C(C)C)c(F)c2)cc(C#N)n1C	777836264	KIDCPKLUMBQMMF-HPBYZVIZSA-N	419.504	4.515	50	20	HJGD	
CC[C@@]1(CO)CCCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	779393479	UNYCVSNQHOOVMD-GDBMZVCRSA-N	410.889	4.922	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c1	780801218	HZTYIHBZMSLNLE-UHFFFAOYSA-N	418.421	4.560	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1	780975142	XUQNOUPNYYIDPL-UHFFFAOYSA-N	411.195	4.611	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1noc(-c2ccc(F)cc2F)n1	781140748	FIUITUZFRIKPAW-GFCCVEGCSA-N	400.472	4.772	50	20	HJGD	
CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782915748	OIUFRJRCWGOAIC-UHFFFAOYSA-N	417.377	4.898	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2sc(-c3ccccc3)nc2C)c1C	784176406	HDRBOYIKHFSROV-MOSHPQCFSA-N	420.538	4.729	50	20	HJGD	
Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCCC[C@@H]3CCSS3)c2C)no1	786595977	VCGQRIXSQMAIGH-MRXNPFEDSA-N	422.572	4.831	50	20	HJGD	
COc1ccc(NNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1	787994991	BEDQGYPFOXCSBR-UHFFFAOYSA-N	421.284	4.518	50	20	HJGD	
C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)CCCC[C@H]1CCSS1	790210712	RIBWKLCGFDUJIK-QAPCUYQASA-N	408.589	4.877	50	20	HJGD	
Cc1c(F)ccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	791041277	HFOSEQKTKCEPBC-WAFWZSCLSA-N	415.896	4.931	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1Sc1ccccc1	791149556	HORJVLASMSRYHE-UHFFFAOYSA-N	401.394	4.781	50	20	HJGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)n1	797633660	PJRVVOBSOKNVDF-INIZCTEOSA-N	406.511	4.710	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3ccnn3C)C2)c(C)n1C1CCCCC1	801064142	FUICILVKFNYBAQ-AREJXAQWSA-N	419.573	4.657	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cncc2ccccc12	801501216	KYOIBSBAOKTORH-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cn(C(C)C)nn2)c(C)n1Cc1ccccc1Cl	806570072	ORRFOJIPPXAJTH-ZDLGFXPLSA-N	407.905	4.769	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@H](c1ccc(Cl)cc1)C1CCCC1	806738079	ZDQDITUYHHZKEC-FQEVSTJZSA-N	410.905	4.739	50	20	HJGD	
C[C@H](CC(=O)NNc1nccc2sccc12)c1ccc(F)c(Br)c1	812510547	VQAQPGIAGOZAJE-SNVBAGLBSA-N	408.296	4.835	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2C(F)(F)F)c1C	914475030	XTIIIHBNKDIDKZ-RPJLVFAOSA-N	419.447	4.555	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cc3c(s2)CCC3)cc(C)c1OCc1ccccn1	915947186	IMRIIDGROWDQOC-UHFFFAOYSA-N	405.523	4.592	50	20	HJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1c(F)cccc1Cl	917019909	MJJDKLUEMFERKK-UHFFFAOYSA-N	401.849	4.925	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	917032086	STMWOZLYXMXEIV-UHFFFAOYSA-N	416.264	4.651	50	20	HJGD	
O=C(NCc1ccc(OCc2ccccn2)cc1)NNc1ccccc1C(F)(F)F	918232008	XAQMCWYBTDUBKU-UHFFFAOYSA-N	416.403	4.506	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(N3CCCCC3)c2)c1C	919863253	HDIPSYNSRVXLIV-VZMFNRANSA-N	420.557	4.848	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2c(Cl)nc(Cl)n2-c2ccccc2)c1	920065432	PJVRNXZWXSFLJM-JLHYYAGUSA-N	413.264	4.733	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(N)c4ccccc4n3)o2)cc1	1317812460	DBVGSYWNLRMYBI-GHRIWEEISA-N	410.433	4.713	50	20	HJGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	1338909336	KMKSVNNDGXBMCY-KYOSRNDESA-N	409.905	4.900	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCC=C3F)CCC2)cc1	1790488604	YTXGRSCLPRXFFT-HRAATJIYSA-N	410.892	4.884	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cccc(Cl)c1	1791607141	SDEJVSINTSQCBO-UHFFFAOYSA-N	411.716	4.891	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1	1815322361	OWKLNLGRQMAISV-DOTOQJQBSA-N	423.344	4.777	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2C)CC1	1830309737	JZOAFRQJXNMCAZ-WOJBJXKFSA-N	404.982	4.554	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c(F)c1	1830466237	LPYLCJAKBKOZBH-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1-c1ccc(C)cc1	1847866686	GEHAXHLQXAODIO-VJBWXMMDSA-N	424.972	4.885	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1	50864212	LLLMCXARPXFRRT-GNOCVMOKSA-N	404.510	4.619	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c2c(c1)C[C@@H](C)O2	727743762	HGWKONOPWIEIBX-JBARUQGQSA-N	403.265	4.871	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	727759250	VHWPZPXCERHBGB-UHFFFAOYSA-N	402.332	4.513	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cnn(CCCl)c2)c(C)n1-c1ccc(Cl)cc1	728696449	ROEKQMNBIZPMMJ-LICLKQGHSA-N	413.308	4.973	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2)ccc1Cl	731959769	SVQGJEBDCNBYTE-UHFFFAOYSA-N	408.929	4.984	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cnn(C(C)C)c2)c(C)n1-c1ccc(F)cc1	732749142	PVZXQUQHWRGFIR-BCUAHEQISA-N	419.504	4.795	50	20	HJGD	
O=C(NN=Cc1nccc2ccccc12)c1cc(-c2ccncc2)nc2ccccc12	740760219	NJAWFUZPJROKJT-UHFFFAOYSA-N	403.445	4.609	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1	741858194	GGCNZPVSWPTLOQ-UHFFFAOYSA-N	403.722	4.978	50	20	HJGD	
O=C(NNC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1ccc(Cl)cc1Cl	742482203	HAPGZXBBTYSRBX-UHFFFAOYSA-N	418.255	4.633	50	20	HJGD	
CC(=O)Nc1ccc(OC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c(F)c1	742837422	WOTIBUBIMFMTMM-ODLFYWEKSA-N	411.477	4.761	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1	743059300	WLBNTTSJZAVLTL-PGWNKUNCSA-N	410.901	4.682	50	20	HJGD	
Cc1ccc(-c2nc(CNC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)co2)cc1	744737407	QHWBQTCCEFNWKW-JJFYIABZSA-N	416.525	4.948	50	20	HJGD	
CC(C)(C)OC(=O)N[C@H](CCC(=O)NNc1cccc2cnccc12)c1ccccc1	748770124	XWNNSFXKJBYXRL-HXUWFJFHSA-N	420.513	4.724	50	20	HJGD	
COCCCOc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	749863734	ZXQOFRXSDCLKHL-UHFFFAOYSA-N	403.693	4.819	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2cc(C)nc(-c3ccc(Cl)cc3)n2)c1	751638782	IFWFGWDDLQHPMZ-WQRHYEAKSA-N	419.868	4.764	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1	751782544	VINVJSJKKUCKSD-HMMYKYKNSA-N	411.436	4.574	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c(C)n1CCC(C)C	761584690	AHRCBKJQGNEDJS-UDWIEESQSA-N	415.541	4.560	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])ccc1SC1CCCC1	764100831	KTNOJASNNOGIBW-UHFFFAOYSA-N	411.405	4.804	50	20	HJGD	
Cc1nc(CNC(=O)NNc2c(F)cccc2Cl)oc1-c1ccc(Cl)cc1	771338339	XFMKZRSRFLMSNV-UHFFFAOYSA-N	409.248	4.922	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	771591406	YIJDQZFMLZYGDA-UHFFFAOYSA-N	402.385	4.706	50	20	HJGD	
N#C/C(=C/c1cc(O)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1	772805806	JDANNNJRINCEEE-VBKFSLOCSA-N	401.378	4.638	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cnc(C(C)(C)C)s2)c1C	774546384	ZOXUVBRUAUJKMR-UPAIAECRSA-N	415.559	4.717	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1cccc(OCc2cccnc2)c1	775524357	OAYQIJMGDPAEBZ-UHFFFAOYSA-N	402.376	4.828	50	20	HJGD	
C[C@H](C#N)CSc1ccccc1NC(=O)NNc1ccccc1OC(F)(F)F	779426233	TWYTUCOMIKFYNZ-GFCCVEGCSA-N	410.421	4.986	50	20	HJGD	
CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n[nH]1	782987932	POANRHCXAWRVMK-VIFPVBQESA-N	420.429	4.625	50	20	HJGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	787166690	CJCLKMSYKLCQEH-WDZFZDKYSA-N	416.669	4.683	50	20	HJGD	
Cc1ccc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)nc1	789866669	HYYPSCROKMSUNN-UDWIEESQSA-N	402.473	4.502	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(N3CCC3=O)c2)c(C)n1C1CCCCC1	791094211	SONZUKAZWDLALC-XSFVSMFZSA-N	416.525	4.893	50	20	HJGD	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)OC(C)(C)C	797608865	NYDNDFDWQXOXOX-UHFFFAOYSA-N	414.289	4.770	50	20	HJGD	
COCCCn1nccc1/C=C(\C#N)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	801647112	CDQHBTJHWPAKTP-NBVRZTHBSA-N	422.916	4.770	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(Oc2cccc(Cl)c2)cc1	803436134	USGOJVQPWSYCLU-UHFFFAOYSA-N	405.841	4.731	50	20	HJGD	
O=C(Cc1c(F)cccc1Cl)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804207222	MSFJGPUPULPPRC-UHFFFAOYSA-N	424.785	4.641	50	20	HJGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F	812434513	QXABCIYWKGCLQS-OAHLLOKOSA-N	422.435	4.892	50	20	HJGD	
COC(=O)c1cc(NNC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)ccc1C	816690412	QSMKGHXMRCAJBW-MHWRWJLKSA-N	412.795	4.524	50	20	HJGD	
CCOc1ccc(NNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)cc1	817925667	LBRQFPLAZDMRLT-UHFFFAOYSA-N	417.481	4.908	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3coc(C)n3)cc2)c1C	913136003	BIOZZZLBXXGRJL-BTZNOAQDSA-N	418.497	4.821	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3coc(C)n3)cc2)c1C	913136005	BIOZZZLBXXGRJL-SJJOQSKNSA-N	418.497	4.821	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(Br)s2)c1C	914512821	QIYWLEMIDINNAK-DHDCSXOGSA-N	406.349	4.562	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(CSC(F)F)o1	916301940	JPWSPHVIWCXFPD-UHFFFAOYSA-N	413.496	4.588	50	20	HJGD	
CCCC(=O)Nc1ccc(CNC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	916513839	CJILMEBVCDHZAZ-UHFFFAOYSA-N	416.525	4.846	50	20	HJGD	
CCCCOc1cc(C=NNC(=O)c2ccc(F)cc2Br)ccc1OC	917549960	NFLPDNVDLPSHIU-UHFFFAOYSA-N	423.282	4.540	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2nccs2)c(C)n1-c1cccc2ccccc12	919843643	IKEJRYFADUUOBD-DEDYPNTBSA-N	412.518	4.927	50	20	HJGD	
COc1cc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2OC)ccc1OC(C)C	921257282	VAEWLLHZVWOOPE-UHFFFAOYSA-N	411.285	4.562	50	20	HJGD	
O=C(NNc1cc([N+](=O)[O-])ccc1Br)c1ccc(-c2cccs2)s1	1118333678	PDJFQLOUAHODPH-UHFFFAOYSA-N	424.301	4.904	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)(F)F)cc2)c1C	1317905570	XDEWBASTGIBFKX-LFIBNONCSA-N	423.460	4.909	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc([S@](C)=O)cc2)c(C)n1C1CCCCC1	1339532549	GNGPROCGQWIBKJ-RFEICPCNSA-N	409.555	4.893	50	20	HJGD	
CC/C=C(\C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)CBr)cc2)CCC1	1786071989	BLTPOUXSMKTOED-SXSSENBOSA-N	407.352	4.508	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccccc3OC)cc2)CCC1	1790229634	JHIIESKQDQWGQY-IBGZPJMESA-N	414.933	4.850	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccc(O)cc3)cc2)CCC1	1790508591	LOHLINPGHBWTHE-FOIQADDNSA-N	414.933	4.647	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1	1790707865	RCAGJYICGRMUER-FQEVSTJZSA-N	409.917	4.518	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C)CC1	1823894864	ZHXGSUMLTPKGNW-LEWJYISDSA-N	422.972	4.775	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccc(Cl)c(C)c2Cl)C1	1846783519	HYWQWKCGYUIUFW-OAHLLOKOSA-N	417.764	4.526	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccnc1	7156979	PKXRFHPYNDTXQD-XSFVSMFZSA-N	405.461	4.788	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc(C(F)F)cc3)cc2)cc1	726620710	ZDCYXYXYFNVSLC-UHFFFAOYSA-N	416.449	4.522	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(c3cccc(C)c3)CCCC2)c1C	727340449	ARGGTMRSJKZXTB-CJLVFECKSA-N	405.542	4.552	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(C#N)ccc2OC(F)F)c(C)n1CC(C)C	728013871	FMJVDOYSVNUCIF-NVMNQCDNSA-N	412.440	4.780	50	20	HJGD	
Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCCC[C@@H]2CCSS2)c(C)c1	728524582	QNARZQWFQSNZKE-SJLPKXTDSA-N	424.657	4.858	50	20	HJGD	
CC(Cc1ccsc1)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	729632507	AXHIVEOMBLUIDZ-UHFFFAOYSA-N	410.568	4.796	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)n1	730208361	CIZUPCQWMNBGSK-SFHVURJKSA-N	417.296	4.664	50	20	HJGD	
Cc1cccc(Oc2ccccc2CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)c1	730224591	WZXHAHPDRXAUDL-MTJSOVHGSA-N	410.477	4.529	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3C#N)c2)c1	731320186	WPSDDKUQWPNJIX-CIAFOILYSA-N	409.445	4.692	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)C1CCC1	732143194	WJBRQLMXZDWUQM-KRWDZBQOSA-N	409.338	4.774	50	20	HJGD	
CCC(CSc1ccc(Cl)cc1)=NNC(=O)c1cc(OC)c(OC)c(OC)c1	734297237	IEKARKYMNVBCLU-UHFFFAOYSA-N	422.934	4.654	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)cc1OCc1ccccc1	734305369	RRBZYOAVROZQLD-UCQKPKSFSA-N	412.489	4.806	50	20	HJGD	
COc1cccc(C[C@@]2(C(=O)NNc3nccc4sccc34)C[C@H]3CC[C@H]2C3)c1	735520496	LSMYSCAVZMXASJ-HKARXFIJSA-N	407.539	4.797	50	20	HJGD	
O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NNc1c(F)cccc1F	735694767	SJBWYTKPVXCXBF-UHFFFAOYSA-N	402.828	4.883	50	20	HJGD	
CCc1ccccc1CNC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	741091817	CKNOIYHSNCJXSO-UHFFFAOYSA-N	424.504	4.608	50	20	HJGD	
CC[C@@H](NC(=S)NNC(=O)Nc1ccc(Cl)cc1Cl)c1cccs1	741502496	KQCPNBDDGDJVSB-LLVKDONJSA-N	403.360	4.707	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(Br)cc1Cl)c1sc(C)nc1C	741771866	WXBVQUNIYGJWAD-UHFFFAOYSA-N	401.717	4.722	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cs1	743296871	JJADOEFZWHHARS-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC2(C)COC2)c(C)n1-c1cccc(C(F)(F)F)c1	744549578	ZHGSHBJLZTUEDX-IUXPMGMMSA-N	418.415	4.600	50	20	HJGD	
C=CCOc1cn(-c2ccccc2)nc1C(=O)NNc1ccc(Cl)cc1Cl	748011830	CXHDARVMFJFTIS-UHFFFAOYSA-N	403.269	4.501	50	20	HJGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(Cl)cccc1Oc1c(C)ccc(C)c1C	748259791	MMNKFRHBJFRHQX-KRWDZBQOSA-N	418.921	4.559	50	20	HJGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)o1	749451063	HFYPEWQUSITOBY-GZTJUZNOSA-N	422.868	4.976	50	20	HJGD	
CCc1cc(NNC(=O)Cc2csc3ccc(Cl)cc23)nc(-c2ccccn2)n1	752621438	GMYOMLBFAQAYPI-UHFFFAOYSA-N	423.929	4.655	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Cc1csc(-c2ccccc2)n1	753169360	NJMWPMATCHRENT-UHFFFAOYSA-N	416.344	4.821	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	760469615	SCBZQNLPDOSYAY-UHFFFAOYSA-N	409.152	4.811	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2ccccc2C(F)(F)F)ccc1-c1ccccc1	762678027	BDSXQMNQRJOVDH-UHFFFAOYSA-N	413.399	4.763	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1Br)C(=O)Nc1ccccc1Br	767715431	VXWQRHKIVCZPLV-XFFZJAGNSA-N	424.067	4.896	50	20	HJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ccnc(Br)c3)c2c1	771549039	IQPHPMOCBCWYKH-UHFFFAOYSA-N	411.303	4.643	50	20	HJGD	
COC(=O)c1cc2c(/C=C(/C#N)C(=O)c3ccc(Cl)cc3F)ccc(OC)c2o1	773151130	RUZDIRVHGQDQJP-GHXNOFRVSA-N	413.788	4.810	50	20	HJGD	
O=C(NCCCC(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773350773	KHXZBSKHXJFIDG-UHFFFAOYSA-N	400.291	4.741	50	20	HJGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	774343777	ZZQIKMUJVZWDGW-JSGCOSHPSA-N	407.426	4.831	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1	779126598	HFWQFISJZCBFIQ-RGEXLXHISA-N	421.497	4.656	50	20	HJGD	
CC(=O)c1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)nc1	782930059	PXAMWFROSTUOLM-UHFFFAOYSA-N	402.366	4.742	50	20	HJGD	
CC(C)n1ccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1	782982990	NLEDWAUMACBFRN-UHFFFAOYSA-N	405.414	4.600	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cn(C)nc1C(C)(C)C)c1ccc(Cl)cc1Cl	787144959	NHEZPLUZDCVJLO-FMNNIJNLSA-N	405.329	4.809	50	20	HJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl	794868759	BFRMYIXUVIVTPP-FMIVXFBMSA-N	401.228	4.864	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2c(-c3cccc(Cl)c3Cl)noc2C)c1	797750957	OBMIJUNPCLGQLI-UHFFFAOYSA-N	420.252	4.500	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3ccnn3C)C2)c(C)n1C1CCCCC1	801064141	FUICILVKFNYBAQ-AHFVYKFHSA-N	419.573	4.657	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3c[nH]c(C(F)(F)F)c3)cc12	807944861	SFXUZUUCXAWICP-UHFFFAOYSA-N	417.416	4.506	50	20	HJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1[N+](=O)[O-]	812244690	GIRSOELJNIERSW-LFIBNONCSA-N	401.382	4.730	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=C3CC[C@H](C(=O)O)[C@@H](C)C3)c3ccccc3n2)cc1	814713793	IVCMSPHXNALDPP-LPHOPBHVSA-N	415.493	4.817	50	20	HJGD	
CCc1ccc(C(=O)NN=Cc2cc3c(C)nn(-c4ccccc4)c3nc2Cl)cc1	814745355	QZTCTRASDVAOMG-UHFFFAOYSA-N	417.900	4.709	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2nc3ccccc3[nH]2)c(C)n1C1CCCCC1	857707529	FDEPGFDWTNPTOW-UYRXBGFRSA-N	401.514	4.710	50	20	HJGD	
Cc1ccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1	912596600	NOXJSEKTUHHSSG-KNQAVFIVSA-N	405.523	4.602	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccc(Cn2cccn2)o1	915839989	JTMMTTQONGUKJB-INIZCTEOSA-N	415.824	4.996	50	20	HJGD	
CCOc1ccc(C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1	916293708	BKLZSFOHKYFOFS-UHFFFAOYSA-N	420.538	4.548	50	20	HJGD	
Cn1cnnc1SCc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1	916295241	NABGNLPRZBXMNN-UHFFFAOYSA-N	419.554	4.551	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(Cl)c([N+](=O)[O-])c1	916359863	DJGPUBVRSSSIEL-UHFFFAOYSA-N	413.817	4.574	50	20	HJGD	
CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1	917751043	NBMCSYKGJZVCPW-UHFFFAOYSA-N	422.978	4.531	50	20	HJGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	918233850	QMPVXFKQKOZXDJ-CQSZACIVSA-N	424.328	4.552	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C	920399322	SJNCJJBYRXKEGH-RQZCQDPDSA-N	402.479	4.868	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Br)cc3)s2)cc1	932527045	VEMXCRYJGGDDBS-UHFFFAOYSA-N	418.316	4.647	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(F)c(F)c1	1341431732	LSWHPICSPGNEDA-LLVKDONJSA-N	422.357	4.687	50	20	HJGD	
Cc1c[nH]c(C)c1CCC(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1786206402	MEDAMEZAPORNON-UHFFFAOYSA-N	422.356	4.502	50	20	HJGD	
C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccccc1	1791337251	BSHXYGSVTMOITB-YWZLYKJASA-N	402.897	4.849	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)cc2)CC1	1830312092	GHDNRIATKATJJV-VXKWHMMOSA-N	419.009	4.565	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)CCCC[C@H]2CCSS2)c(C)n1-c1ccccc1	21194603	UEGSDDGRIIKOTK-SFHVURJKSA-N	417.600	4.569	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1	214376698	VLCVWCSWCZDMFN-KAMYIIQDSA-N	405.435	4.878	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C#N)cc2)c(C)n1CC(F)(F)F	303223374	SJRLPMYFQYSSCL-DUPVFGOHSA-N	401.388	4.748	50	20	HJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	726189738	FSYGLBATWKSIPV-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC3CCCC3)nc2)c1C	726926203	RCSHSVPOFHVLTA-RONKMWSCSA-N	422.529	4.574	50	20	HJGD	
O=C(CCc1cccc(OC2CCCC2)c1)NNC(=O)c1c(Cl)cccc1Cl	727804610	IXDBRLFABGYHJC-UHFFFAOYSA-N	421.324	4.709	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=C(C)CC(C)(C)c2ccccc2)c1	728431415	QVZLZZSHXVDWAE-UHFFFAOYSA-N	403.320	4.931	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)Cn3ccc4ccccc43)c2Cl)c1	729638674	YJCHUHHRIYFHNH-UHFFFAOYSA-N	419.916	4.556	50	20	HJGD	
CC(C)c1ccc(-n2c(NNC(=O)c3ccc(Cl)o3)nc3ccccc3c2=O)cc1	733265060	XPZXJCWVJXLYFB-UHFFFAOYSA-N	422.872	4.512	50	20	HJGD	
Cc1cccc(C(C)(C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1	736044588	CBRCEYBKQUWHML-LJJBLSSYSA-N	405.542	4.551	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1	743442176	RYFSXWSUNJYVNX-UXHICEINSA-N	400.906	4.542	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(Cl)nc3)c3ccccc3n2)cc1	743817221	ULMDLQBNYWPTSC-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
COc1sc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Br	746523243	SDTGDAWHDSYYBT-WUXMJOGZSA-N	418.721	4.511	50	20	HJGD	
Cc1nn(-c2ccc(C(=O)NNc3ccc(C(F)(F)F)cc3)cc2)c(C)c1Cl	747614213	NTTIRLRUKBDPCF-UHFFFAOYSA-N	408.811	4.918	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)c1	748355014	ZDBAUYIQGLEDCO-UHFFFAOYSA-N	420.538	4.648	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1	748380512	BVQSOPPGJOEUDH-UHFFFAOYSA-N	413.319	4.625	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	748563626	USRCLBMVMYRVJO-UHFFFAOYSA-N	403.866	4.858	50	20	HJGD	
O=C(NN=Cc1ccccc1OCc1cn2ccccc2n1)c1ccc2ccccc2c1	748586336	UKFYDYHNFDBHFJ-UHFFFAOYSA-N	420.472	4.830	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(Oc3ccccc3)nc2)c1C	749531002	ACLLMPCHNJSMLD-HYARGMPZSA-N	414.509	4.926	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNC(=O)CCc3ccccc3)oc2c1	749799876	FWFRLRIVSAMSGM-UHFFFAOYSA-N	414.461	4.502	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCC[C@H](C)c2ccccc2)c(C)n1C[C@H]1CCCO1	749834984	XDGHNZMUMILBJM-RQXMZXJNSA-N	405.542	4.501	50	20	HJGD	
COc1ccc(C(=O)NN=C(C)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	749853514	NWWWKLNYKKCDFT-LBPRGKRZSA-N	411.285	4.584	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)/C(C#N)=C\c1ccc(F)cc1	751877657	XQXNOXUGERFBMT-AQTBWJFISA-N	407.420	4.618	50	20	HJGD	
CCCc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)cnn1Cc1ccccc1	754152477	KOMWJYRDVKEFDW-UHFFFAOYSA-N	420.410	4.799	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1cc2sc(Nc3ccccc3)nc2s1	754477734	GHRJDCNTUFTZAR-UHFFFAOYSA-N	401.904	4.907	50	20	HJGD	
C[C@H]1CCC[C@H](OCc2cccc(NC(=O)NNC(=O)c3c[nH]c4ccccc34)c2)C1	756257037	KHYMZKZSWHDPKA-LPHOPBHVSA-N	420.513	4.730	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	760839131	VGXPXFYIZFZCNY-UHFFFAOYSA-N	423.831	4.870	50	20	HJGD	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@H](Br)C(C)(C)C	768252589	BFZHLCNWMJOOGE-HIFRSBDPSA-N	418.807	4.974	50	20	HJGD	
Cc1cc(NC(=O)NNc2c(F)cccc2Cl)ccc1NC(=O)c1ccco1	771126811	GRBFVZVACGFHRS-UHFFFAOYSA-N	402.813	4.781	50	20	HJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)o1	774562370	UHGKXCSUFMQQAN-RVDMUPIBSA-N	404.378	4.714	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cnc4ccccc4n3)c3ccccc3n2)cc1	774795820	GYFPVMADIDATLS-UHFFFAOYSA-N	421.460	4.611	50	20	HJGD	
CC(C)Cn1cc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cn1	782911809	BEYGJOQKDONHJJ-UHFFFAOYSA-N	405.414	4.997	50	20	HJGD	
O=C(/C=C/c1ccsc1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783463623	UTHBEDXRXKVECW-LZCJLJQNSA-N	419.418	4.924	50	20	HJGD	
C[C@@H]1CC[C@H](CC(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783463893	XBMYYNRVHBZSQO-MNOVXSKESA-N	407.426	4.975	50	20	HJGD	
CC1(C)CC[C@H](C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783465385	NUBXFSZXNCVHEU-JTQLQIEISA-N	407.426	4.975	50	20	HJGD	
N#C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1cccc(Cl)c1	786055132	BOEBZCNISFNUSB-OVCLIPMQSA-N	424.869	4.595	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	788147030	IOFXRJFIHNFFNP-UHFFFAOYSA-N	406.826	4.576	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=S)Nc3ccsc3)c3ccccc3n2)cc1	790303809	XFHFGEOROPUNJU-UHFFFAOYSA-N	418.547	4.903	50	20	HJGD	
Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)[C@@H]2CCCOC2)c1	794880434	UESBDEVXVKBZJR-QPHMKDBKSA-N	411.505	4.810	50	20	HJGD	
Cc1nc(-c2ccccc2NC(=O)NNC(=O)Cc2ccc3ccccc3c2)cs1	797667844	GBKAXVWXUYYJFU-UHFFFAOYSA-N	416.506	4.667	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	798983178	XVOLRLBMMDGVGX-SNVBAGLBSA-N	401.310	4.843	50	20	HJGD	
CSc1cccc(F)c1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804209823	CXSHGFABFZCETM-UHFFFAOYSA-N	422.407	4.780	50	20	HJGD	
COCCOCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	809147086	KAJYSQIFUQSEJZ-LFIBNONCSA-N	405.281	4.702	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(Br)cc2C)c(C(F)(F)F)c1	816702772	BPAODBRVMRMCLA-UHFFFAOYSA-N	403.198	4.542	50	20	HJGD	
CC(C)Oc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccn1	817016321	PIQUBLURBGZZLP-UHFFFAOYSA-N	407.314	4.663	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccccc2F)s1)C(=O)N1CCn2c1nc1ccccc12	912776466	DKCZUICHEQWATC-FYWRMAATSA-N	414.465	4.858	50	20	HJGD	
O=C(NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc2ccccc2n1	912984105	GSSRGVQAPNMZKI-UHFFFAOYSA-N	416.289	4.831	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2Cl)c1C	914477877	DOZFJHJSZVRRBY-BBSXFRJVSA-N	420.340	4.843	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	915846017	CHGMFDARRHBLNP-JXAWBTAJSA-N	420.469	4.529	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1C	916503606	DUKLSKOEKQQWTQ-ZDLGFXPLSA-N	420.340	4.624	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)c1ccccc1	917216007	OXJLRFJWVQCGJU-UHFFFAOYSA-N	424.844	4.566	50	20	HJGD	
CCCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	917368825	IZKYQGQHIPYHAI-VVIXHQMUSA-N	419.569	4.938	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	1318058697	YDDNTTCKSGYHLG-KRWDZBQOSA-N	420.321	4.789	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(F)(F)c3ccco3)CCC2)cc1	1786447224	YLCHSAMARSVANY-MRXNPFEDSA-N	424.875	4.913	50	20	HJGD	
Cc1ccc(C)c(CC(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)c1	1791338610	SWRLGGBVRUUCTO-FQEVSTJZSA-N	402.897	4.514	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)c(C)c1	1814697419	FIPFBCIHSNEWGI-SFHVURJKSA-N	416.953	4.597	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2F)CC1	1824728121	XGAWCLDXJLKGIY-DOTOQJQBSA-N	414.974	4.528	50	20	HJGD	
Cc1cccc(NNC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1	195630878	ULNVCPGBXMRWIS-UHFFFAOYSA-N	401.260	4.686	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)CC(C)C)cc2OC)cc1	726120625	WUOGNMGQUQDEOI-UDWIEESQSA-N	407.466	4.583	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(OCC#N)cc2)c1C	727677894	WSPAVMYJGUVGBA-HAHDFKILSA-N	424.504	4.528	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)c1c(Cl)cccc1Cl	727793635	WRBPXCAWDVRMEZ-UHFFFAOYSA-N	421.255	4.786	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1ncc(-c2ccccc2)s1	727840701	QKHYBAZBTMLJEJ-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)c1	728430978	JOSMSYCHUSYKFM-UHFFFAOYSA-N	409.283	4.889	50	20	HJGD	
COc1ccccc1C(=O)NN=Cc1sc(Nc2ccc(C)cc2)nc1Cl	731487816	FBVSPKQFMYAKPZ-UHFFFAOYSA-N	400.891	4.621	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)N(C)C1CCCCC1	732716223	LJLQTTLORVKVRB-CPNJWEJPSA-N	410.949	4.900	50	20	HJGD	
N#C/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1ccc(Cl)cc1	733081165	PTIOKLLQQKAWMP-JYRVWZFOSA-N	410.842	4.917	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cccc(-n2nccc2-c2ccccc2)c1	734552024	JHCOHTIDQGQMNO-UHFFFAOYSA-N	408.383	4.714	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H](CO)c1ccc(F)cc1	734927361	LGZOQPJBVQUMRR-HIFRSBDPSA-N	422.831	4.900	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC2(C(F)(F)F)CCCCC2)c1C	735249146	NKRQNLUIOLDNSJ-GZQZNAIASA-N	411.468	4.601	50	20	HJGD	
O=C(NNc1ccccc1)c1cccc(Sc2cccc(Br)c2)n1	743298309	WXHHGXVTFAPTRX-UHFFFAOYSA-N	400.301	4.752	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)cc1	743642661	UQFPKMOMJBOODY-KRWDZBQOSA-N	417.509	4.630	50	20	HJGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(C)c1	743764930	UPBPRHAVTZAUJP-OAQYLSRUSA-N	415.537	4.761	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1ccc(C)c(C)c1)c1cccc(C(F)(F)F)c1	743822093	CKPUHFLEMUZEDK-UVTDQMKNSA-N	407.461	4.743	50	20	HJGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(-c2ccccc2)cc1	743825934	LLDYPONWFJQTQN-IRXDYDNUSA-N	405.420	4.875	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(F)(F)F	750896044	LZOCJPLUEABZML-GRVDKYOBSA-N	410.436	4.628	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccn(-c2cccc(C(F)(F)F)c2)n1	752807870	OTFQDFABROUNQD-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc3c(C)cccc3[nH]2)c1C	754700135	LOKNSBFBFSXAPG-GTNUZRKBSA-N	405.498	4.752	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C	756965483	REQOWWXUBZSDQI-UHFFFAOYSA-N	421.331	4.540	50	20	HJGD	
O=C(NCCCNc1ccccc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762656813	FFLYFPDDBYMQDC-UHFFFAOYSA-N	423.407	4.901	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCC[C@@H](OC(F)F)C1	762681076	WABLLQRIQURCSW-SNVBAGLBSA-N	424.338	4.513	50	20	HJGD	
COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@H](Br)C(C)(C)C)cc1	767005313	HPMYORFTKOFTFT-KRWDZBQOSA-N	420.303	4.663	50	20	HJGD	
C[C@@H](Br)c1nc2cc(-c3cccc(Br)c3)sc2c(=O)[nH]1	767361649	WOYIJJWWCCSIGK-SSDOTTSWSA-N	414.122	4.870	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCOC4(CCC4)C3)c2C)c1	769341068	MNZVAZYTMZPZOR-AMUNLKFJSA-N	403.526	4.527	50	20	HJGD	
N#Cc1ccc(NNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)cc1C(F)(F)F	773460369	XBJDLIZLIWGEKX-UHFFFAOYSA-N	420.391	4.525	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1	777476734	OTQSJPANNDXIHD-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1	777478196	PBVDPAQINCNGPN-UHFFFAOYSA-N	412.493	4.891	50	20	HJGD	
COC[C@H](C)n1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	778243234	DOPPDFWJGJGOTF-IZQLPPHKSA-N	409.534	4.560	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@@H]1CC2(CCC2)Oc2ccccc21	779631754	KUOSGVDAJNRSEM-OAHLLOKOSA-N	407.392	4.658	50	20	HJGD	
CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)S(=O)(=O)CCCCCl)c1	780690924	SVQWLBJHRQQWHQ-QGZVFWFLSA-N	422.978	4.557	50	20	HJGD	
O=S(=O)(CCCCCl)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl	780799647	YEIOLJSBHJLYEK-KRWDZBQOSA-N	408.297	4.646	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1	780806227	CZEFAQAUQAKCFU-UHFFFAOYSA-N	423.538	4.542	50	20	HJGD	
Cc1nnc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)s1	781864583	RPODTEIXOYDFKS-VXIUPONVSA-N	406.511	4.774	50	20	HJGD	
Cc1ccc(Br)c(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1	782821591	OVFGXQUSRAVNCI-UHFFFAOYSA-N	424.298	4.566	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(F)c(Cl)c2)nn1)c1nc(-c2ccncc2)cs1	782890385	XKBMASXDPWAULB-NTUHNPAUSA-N	408.849	4.642	50	20	HJGD	
Cc1cc(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c(C)o1	783462516	DPTZXKFBACDBGX-UHFFFAOYSA-N	405.366	4.673	50	20	HJGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c(Br)c1	789158069	APIVUNCIZIWXDG-RQZCQDPDSA-N	421.250	4.574	50	20	HJGD	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNc2ncccc2C)cc1	791223765	KETXOAZLWONYOT-UHFFFAOYSA-N	400.482	4.623	50	20	HJGD	
CCCCCNC(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2cccc(Cl)c2)n1	797341405	GSVSNFBPAUTGAB-XNTDXEJSSA-N	416.934	4.694	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1	797667238	BJDWYMDRKTVVIZ-UHFFFAOYSA-N	403.389	4.849	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F	799754733	CJDKWNLTFPJWTF-UHFFFAOYSA-N	402.420	4.827	50	20	HJGD	
O=C(NN=C1CCC[C@H](c2cccnc2)C1)c1ccc(Br)cc1Cl	799879163	RXPLMGVZLAZRMK-LBPRGKRZSA-N	406.711	4.941	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	895322348	XQZILYRMENBVJD-BMRADRMJSA-N	423.472	4.698	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)OCc2nc3ccccc3c3ccccc23)cc(C#N)n1C	913286827	KLSWPUYZHISUSE-WOJGMQOQSA-N	406.445	4.557	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc(CN(C)C)c2)c(C)n1C1CCCCC1	914765202	FLEZZXMHBFSOBV-IWIPYMOSSA-N	418.585	4.895	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1	916350785	IHNLQZQGEOWDFF-UHFFFAOYSA-N	414.896	4.886	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccnc(N3CCCCC3)c2)c1C	916443774	FUUQBXXPSWFYCV-KQWNVCNZSA-N	419.573	4.514	50	20	HJGD	
O=P(CCN[C@@H](c1ccccc1)c1ccccn1)(c1ccccc1)c1ccccc1	917039262	WUSKNYGFGGQOND-SANMLTNESA-N	412.473	4.775	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccsc2)cc(Br)c1OC(F)F	917146891	ZWTVXFRJHTVWSS-WCIBSUBMSA-N	414.227	4.910	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc(F)cc2Br)cc(C)c1OC(F)F	917550038	RIMUGVOVWXJVDJ-UHFFFAOYSA-N	415.209	4.570	50	20	HJGD	
COC(=O)c1ccc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cc1	918558851	JBAZJCYFFRFMID-MRXNPFEDSA-N	403.809	4.945	50	20	HJGD	
O=C(NCCc1ccc(O)cc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	921061463	VVGNXKTWDMLMAW-HNNXBMFYSA-N	404.841	4.976	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3cc4c(s3)CCC4)o2)c(C)n1C[C@@H]1CCCO1	1117190541	VZEIUAAYYNFLIY-UDKWZTAFSA-N	420.538	4.948	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2OCc2ccccc2Cl)nn1	1318639716	SIZZKBCVJCLSIS-UHFFFAOYSA-N	410.905	4.763	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c[nH]nc4c3)CCC2)cc1	1786012019	YVKULDZGNMIRQO-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cccc2ncccc12	1788903865	PMYGMGRMEIVNRG-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Br)CCC2)cc1	1789456228	MKPLRKYNTOKWOS-IAGOWNOFSA-N	423.326	4.579	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1	1789730883	MHZOOZSADVLMKK-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)s3)CCC2)cc1	1790487445	VUNURDRVWQSZHL-ZDUSSCGKSA-N	412.342	4.562	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cnc(C)s3)CCC2)cc1	1790488528	UVTDKDJWHPYOMB-BBVFFXRHSA-N	417.962	4.616	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@]3(F)CCCC=C3F)CCC2)cc1)C(Cl)Cl	1791608179	HJDQOKWEKWCGLY-LJQANCHMSA-N	417.283	4.670	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)C34CCC(CC3)CC4)CC2)C1	1806163353	HHZZZFHROXPNBV-KPRXVCGWSA-N	409.014	4.596	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(C)c2)n[nH]1	1820543350	SOAFKDBTBAOVSJ-IEBWSBKVSA-N	416.953	4.740	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1	1820857468	XJOPJTFMMQUBDZ-OCCSQVGLSA-N	420.922	4.541	50	20	HJGD	
Cc1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c1	1824672016	GIWVYZCPIAMLOU-QGZVFWFLSA-N	411.011	4.555	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826265471	WGLRVSHLZHZWEB-SFTDATJTSA-N	411.030	4.984	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1	1830315082	VUDVEHJSPRZRNS-YADHBBJMSA-N	416.993	4.815	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)c1nnc2n1CCCCC2	7748283	QEGOIKSQUSHEDG-GXDHUFHOSA-N	413.312	4.870	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc(C#N)c3)c2)cc1	44024540	LHCBIXRXJGPZCN-FYJGNVAPSA-N	409.445	4.692	50	20	HJGD	
CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1cccnc1	254294728	SSJVQZBBQCTQBN-UHFFFAOYSA-N	420.472	4.549	50	20	HJGD	
COc1ccccc1[C@H](CNC(=O)CCCC[C@@H]1CCSS1)N1CCCC1	302709111	MSGWHOINCUWWNV-MJGOQNOKSA-N	408.633	4.662	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1Oc1ccccc1	725875155	NVONTNNPOAMZEU-OAHLLOKOSA-N	409.873	4.838	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)c1C	726511460	YURRLIXLUWEJFE-RYEVUSRASA-N	405.542	4.849	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(C(F)(F)F)cc2)c1C	728314971	YWKUTEMYMHCPLR-BKAYVGFPSA-N	420.431	4.982	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNC(=O)c1cccc(OC(F)F)c1	728434919	RLGXTTKNADGZOK-UHFFFAOYSA-N	418.831	4.508	50	20	HJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	732975851	ZTHFVJGKXPCWNK-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
CCCCN(CC)c1ccc(C(=O)NNc2nc(-c3ccccn3)nc(C)c2C)cc1	734256512	FUHHLIHNUZWXPK-UHFFFAOYSA-N	418.545	4.539	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2sc3ccc(F)cc3c2C)c1C	734257344	SKQSUKBSCPXUQH-UHFFFAOYSA-N	407.474	4.575	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c1C	734401347	DPNIEPSAWCITIH-YOKWLVCVSA-N	417.962	4.593	50	20	HJGD	
COC[C@H](NC(=O)NNc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1	735759158	SZSVWNKNHRYZGH-HNNXBMFYSA-N	421.341	4.738	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1	737541971	BZPZJHCRZPCNQQ-JTQLQIEISA-N	419.230	4.967	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)CC(C)(C)c3ccccc3)cc2)cc1	742791557	UOMFYICQGDNJPE-UHFFFAOYSA-N	422.550	4.639	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3[C@@H]4CCCO[C@H]4C3(C)C)cc2)cc1	743423512	RWDDDHOSPKBMGJ-JTHBVZDNSA-N	422.525	4.585	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	744502183	NKPXNOXIIFAKRP-MLJKTZRHSA-N	403.265	4.779	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2csc(-c3ccccc3F)n2)cc1C(F)(F)F	746890164	TXZTUECWYZSTOA-UHFFFAOYSA-N	406.364	4.597	50	20	HJGD	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNc2cccc(C#N)c2)cc1	748035265	XIPUPRYJWGAOJB-UHFFFAOYSA-N	410.477	4.791	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cnc(Cc2ccc(F)cc2)s1	748188723	VSJIKCDDRDRJKM-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NNc1cccc2cnccc12	748769817	QWPKBZSFSOABNX-UHFFFAOYSA-N	404.495	4.889	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl	749942914	MITZHPVOUBOFSD-UHFFFAOYSA-N	408.285	4.522	50	20	HJGD	
CCN(Cc1c(F)cccc1F)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	751215039	GUMLNSZGBYZVDW-YLRSXTQRSA-N	415.484	4.546	50	20	HJGD	
C[C@@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H](C)N1CCOCC1	752976303	NYNUAGUUXMHUQQ-VXGBXAGGSA-N	403.417	4.575	50	20	HJGD	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(Cl)nc1	754707155	YEINCIRYOYEYGJ-UHFFFAOYSA-N	416.312	4.521	50	20	HJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	755408185	XPQDKCCZQSDSID-NTEUORMPSA-N	420.271	4.515	50	20	HJGD	
O=C(CCCc1nnc(-c2ccccc2)o1)Oc1ccc([N+](=O)[O-])c2ccccc12	757422172	NGRFNERXLZKUCY-UHFFFAOYSA-N	403.394	4.726	50	20	HJGD	
CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762973698	ZAMGKCUGBVHOJJ-ZYHUDNBSSA-N	422.441	4.821	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(COc2cccc(Br)c2)o1	771713654	LXZXNAQOBDAHSC-UHFFFAOYSA-N	419.250	4.826	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(OC(F)F)cc1OC(F)F	775508549	KIFMTQWIRQAQIV-UHFFFAOYSA-N	410.327	4.586	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1cccc(OCc2cccnc2)c1	775523366	JGZNIBCSHMURTO-UHFFFAOYSA-N	402.376	4.828	50	20	HJGD	
N#C/C(=C\c1cccn1Cc1ccccc1C#N)C(=O)Nc1ccc(F)c(Cl)c1	782196986	DRHZEWILNPTKKE-LICLKQGHSA-N	404.832	4.746	50	20	HJGD	
Cc1cccc(COc2ccc(NC(=O)C(=O)NNc3ccccc3Cl)c(C)c2)c1	784770841	OEEYFEDNVWPACO-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
O=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnn(CC(F)F)c1	790067275	CKIBRQLEUWPZAH-UHFFFAOYSA-N	413.340	4.606	50	20	HJGD	
COc1cc(NNC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)ccc1Cl	790170321	JTQVYROFEZQFOB-UHFFFAOYSA-N	411.889	4.853	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1	791494103	RLXSPJWMLPETOY-NOZJJQNGSA-N	420.806	4.729	50	20	HJGD	
C[C@H](c1ccccc1)[C@@H](NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C(N)=O	794716074	ATEUJFXJUSEIMR-XMSQKQJNSA-N	412.650	4.956	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1F	799039546	HHQISGXDVNQLMH-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c(-c2cnn(C)c2)c1	801648318	PWQMLARWURZWEX-YBEGLDIGSA-N	421.298	4.704	50	20	HJGD	
CC(C)[C@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(C(F)(F)F)cc1	807006166	SGLAQGPUMAOCNF-SFHVURJKSA-N	418.419	4.570	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(N(C)c3ccccc3)nc2)c(C(F)(F)F)c1	816702274	HDEHAXFAPVYONZ-UHFFFAOYSA-N	416.403	4.634	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)OC1CCCCC1	834747956	MENHEIRKECQIDE-STZFKDTASA-N	412.493	4.776	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c(C)n1CC(C)C	913138140	WAPCXATZLBDTSA-NYIUWGNGSA-N	421.541	4.864	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2F)C(C)C)c1C	914502373	RSVCQXLZBNCXDV-FNLSEGDXSA-N	411.521	4.796	50	20	HJGD	
O=C(Nc1cccc(NC(=O)C2CC2)c1)NN(Cc1ccccc1)c1ccccc1	915343980	ZWEIEYMMBHRYHI-UHFFFAOYSA-N	400.482	4.778	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2c(OC(F)F)ccc3ccccc23)cc1	915863966	VISAFKGUPYUKOI-VBKFSLOCSA-N	421.403	4.945	50	20	HJGD	
COc1cc(C(=O)NN=Cc2ccccc2C(F)(F)F)ccc1OCCC(C)C	916349477	ZNMAJEKOPLUJKD-UHFFFAOYSA-N	408.420	4.903	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1C(N)=O	916472862	WQOKDMPAMCKTEY-UYRXBGFRSA-N	404.514	4.563	50	20	HJGD	
COc1ccc(-c2nc(COC(=O)/C(C#N)=C\c3ccc(C)cc3)cs2)cc1OC	916617322	SIRBJQVESLMCMD-ZDLGFXPLSA-N	420.490	4.786	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(F)F)c(F)c2)c1C	917712058	GPEXPEJMWGGIAT-KHAFMBKQSA-N	421.419	4.599	50	20	HJGD	
O=C(Cc1ccc2c(c1)OCO2)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918563198	NBCONBXCVKKZLZ-INIZCTEOSA-N	403.809	4.816	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(c3ccc(O)cc3)CC2)c(C)n1CC(C)C	919744321	ZYTOEQWJUASZIC-UCQKPKSFSA-N	405.542	4.780	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(COC(C)C)c2)c(C)n1C[C@H]1CCCO1	920476646	NBUIPVCFQBBAPE-LYRGBEMXSA-N	421.541	4.755	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1C	921169526	VNPIJVNTABTOTQ-DBRLUCFCSA-N	424.976	4.718	50	20	HJGD	
COc1cccc2cc(CNC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)oc12	1326043623	NZCYIQQNRFTZJD-KEBDBYFISA-N	405.498	4.739	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)CCC1	1788432686	AZCNCBMMDJXVOS-LJQANCHMSA-N	424.932	4.718	50	20	HJGD	
CC(C)(C)c1cc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)c[nH]1	1788579814	IKNJPRDHUXYNJP-KRWDZBQOSA-N	405.901	4.594	50	20	HJGD	
Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)c1Cl	1788588135	GDTZBDDIYMPOAF-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CCC1	1790222250	VDZDDPINOBLDNR-HNNXBMFYSA-N	406.860	4.730	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3F)cc2)CCC1	1790328946	NNCCEUQBZMLNRH-INIZCTEOSA-N	406.860	4.730	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)c1Cl	1792111063	BVKCFHPFFJBAFQ-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](Cl)CCC)n[nH]1	1815314179	GGXHTTGHMDAHME-AEFFLSMTSA-N	406.958	4.578	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c(C)c1	1829946336	BBRSJAHREWQHKN-OAQYLSRUSA-N	419.009	4.802	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(C(C)C)cc2)c1C	25193096	AIZNXEXQSBZXNM-KCDOPAPYSA-N	422.525	4.769	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc3cccnc3[nH]2)c(C)n1C1CCCCC1	726386226	PBRVOLKCAOXVLF-PDGQHHTCSA-N	403.486	4.532	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNC(=O)CCCc1ccccc1	727717408	QAQGJSIYIJVUEC-UHFFFAOYSA-N	413.930	4.556	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1	727791385	DHKQNBUVUFZTNF-UHFFFAOYSA-N	419.230	4.751	50	20	HJGD	
O=C(NN=Cc1sc(Nc2ccccc2)nc1Cl)c1cccc(OC(F)F)c1	728433766	NEELKJGWNARNCC-UHFFFAOYSA-N	422.844	4.905	50	20	HJGD	
Cc1cccnc1CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	729437485	CGCHHDMISKYNPF-UNOMPAQXSA-N	404.901	4.674	50	20	HJGD	
COc1cc(C(=O)NN=Cc2ccc(Oc3cccnc3)c(C)c2)ccc1OC(C)C	732711262	GSHPECHDIHPMJM-UHFFFAOYSA-N	419.481	4.742	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2C)C2CC2)c1C	732746054	ZTNRLAPLVMRCCQ-ASZBORBYSA-N	405.542	4.795	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)c1C	734179336	ZJNMFVYYNRLWHR-GOSISDBHSA-N	420.582	4.962	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3nccc4sccc34)c2c1	734248468	SJACZOBWZIDTKK-UHFFFAOYSA-N	411.490	4.972	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1cccs1	737469079	CQGYXVAKZJOEHS-AWEZNQCLSA-N	414.914	4.545	50	20	HJGD	
CC(=NNC(=O)c1ccc(Br)s1)c1cccc(-c2ccncc2)c1	741457659	YGUDHCXIMJWQHL-UHFFFAOYSA-N	400.301	4.727	50	20	HJGD	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1cccc2ccccc12	741462383	FALFXDCKCUAPES-UHFFFAOYSA-N	423.520	4.698	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(C3CCCC3)CC2)c(C)n1C[C@H]1CCCO1	742791454	NFHUALGPRGFWLL-GBQPJDALSA-N	409.574	4.620	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)cc(C#N)n1C	745135794	ICQFSYCXIQJRDW-IKYDHMGASA-N	416.525	4.846	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Cl)c(F)c3)s2)cc1OC	746696210	VUIOFOHCWVLJBE-UHFFFAOYSA-N	421.881	4.685	50	20	HJGD	
O=C(CSc1cccs1)Nc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	749274106	CMFQCNBCKKYZLP-UHFFFAOYSA-N	417.943	4.889	50	20	HJGD	
COc1cccc2c1OCC[C@H]2NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	751233578	VZDRUJRRAVZPBP-FBHQFGEZSA-N	421.541	4.707	50	20	HJGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	755363175	SLVRZEKWPCRXCD-UHFFFAOYSA-N	413.441	4.525	50	20	HJGD	
O=C(C[C@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1)c1cccs1	758723581	FIWGIGHRKLLJRY-HXUWFJFHSA-N	423.518	4.799	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1	759321656	JMPJICUQEBLSMI-UHFFFAOYSA-N	418.428	4.617	50	20	HJGD	
Cn1nc2c(c1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)CCCC2	769657287	GXEPRSBOSUNVQI-INIZCTEOSA-N	403.857	4.771	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1ccc(-c2ccccc2)cc1	773696835	IGYRREUJAHNINB-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3ncc(Cl)cc3Cl)c(C)c2c1	775264500	DROBAGHWDXGDBE-UHFFFAOYSA-N	406.269	4.722	50	20	HJGD	
N#Cc1ccccc1COc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)cc1	775270586	JWZVBGDMHZYYHL-UHFFFAOYSA-N	413.264	4.596	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ncc(Cl)cc2Cl)c(-c2nc(C3CC3)no2)c1	775654440	COZKONOBZASSDJ-UHFFFAOYSA-N	419.272	4.773	50	20	HJGD	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	776488832	ZECBHZQDDNKXFX-WCCCRJGXSA-N	407.562	4.762	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)Nc1ccccc1F	777464506	XFCKBGMJPCRQER-SXGWCWSVSA-N	414.362	4.635	50	20	HJGD	
Cc1ccc(C(=O)NNc2nc3ccccc3cc2C)cc1NC(=O)NC(C)(C)C	777481399	DLKHMKNSURWNTD-UHFFFAOYSA-N	405.502	4.529	50	20	HJGD	
CC[C@H](C)n1nc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1C	778266647	SSIWQEQKUYAOHR-VIFPVBQESA-N	419.245	4.701	50	20	HJGD	
CC1(NC(=O)CCCC[C@H]2CCSS2)CCN(C(=O)OC(C)(C)C)CC1	779098919	GKCMNKAXEHAXSH-HNNXBMFYSA-N	402.626	4.606	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccn1Cc1ccccc1C#N	782196974	DNISXKHRWQRKJF-UNOMPAQXSA-N	400.869	4.916	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=C2CC(c3ccc(Cl)cc3)C2)c1Cl	783804547	DTOBNPMABYFRAT-UHFFFAOYSA-N	418.111	4.941	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1nccn1CC(F)(F)F)c1ccc(Cl)cc1Cl	787179444	UPNIPTVKNDQDDP-OTXQMUPVSA-N	417.218	4.537	50	20	HJGD	
Cc1ccc(C)c(-n2cnc3cc(C(=O)NNc4cccc5cnccc45)ccc32)c1	788512409	BXTILNYRVHLFLA-UHFFFAOYSA-N	407.477	4.947	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCCO2)c1cnc2ccccc2n1	790231045	JZCUSKUUBFUMMZ-ZSOIEALJSA-N	408.255	4.618	50	20	HJGD	
CC(C)c1noc(Cc2ccc(NC(=O)NNc3ccc(C(F)(F)F)cc3)cc2)n1	801941910	BHGOBOQNJRXYRX-UHFFFAOYSA-N	419.407	4.951	50	20	HJGD	
CN(C)C(=O)Sc1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)ccc1Cl	805436230	BWPQDFWSSATGKJ-LCYFTJDESA-N	403.866	4.798	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(F)c2Cl)c(C)n1C[C@@H]1CCCO1	809195978	NKJMRYZIUIJWOL-KGZWWPETSA-N	401.869	4.622	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCCC2=O	810346049	AYDOYCYZURHYRI-UHFFFAOYSA-N	407.695	4.769	50	20	HJGD	
COc1ccccc1Nc1ncccc1C(=O)NNc1ccnc2cc(Cl)ccc12	812021192	TYCWWDOFWPWCKI-UHFFFAOYSA-N	419.872	4.792	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(-c2ccccc2C(F)(F)F)on1	812549343	JMKLQCZIUAVGMC-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1sc(-c2ccccc2)nc1C	813048421	WJUGJEJWOLIDKW-UHFFFAOYSA-N	408.527	4.632	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1	817011958	RAQQMKIHPZTEAX-UHFFFAOYSA-N	414.252	4.591	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1C	912912859	JMWUCTZMUXEOLM-IYSPOMMRSA-N	401.457	4.901	50	20	HJGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)s1	914600064	OLLPVQHDUSCPTB-CJAAZZPWSA-N	406.301	4.663	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(Oc3ccccc3)cc2)c1	914894889	XCRLECSUSNAGIL-ZHZULCJRSA-N	413.429	4.821	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc(Cl)c1O	915844054	IBUUMKHLRHDLCO-MLPAPPSSSA-N	421.280	4.960	50	20	HJGD	
CCCc1ccc([C@@H](NC(=O)NNc2cncc(Cl)n2)c2cccs2)cc1	916195601	WLTPSBWTTRSMQK-GOSISDBHSA-N	401.923	4.560	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)ccc1Cl	1339499731	GTVLFOLPAWECGF-UHFFFAOYSA-N	404.253	4.946	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3csc(C)n3)cc2)CCC1	1787524760	ROMAPXLKARNVJB-MRXNPFEDSA-N	405.951	4.607	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccc2scnc2c1	1789340090	OCJJXDQHKZYDHH-QGZVFWFLSA-N	417.893	4.578	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1	1815321741	GEKIDFSQQFDGDC-XBOKISCZSA-N	406.958	4.556	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)CC1	1822223231	PJKFMBUMOIVSIW-BQFCYCMXSA-N	423.001	4.883	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1	1830314376	XVWJCVGKGFGWJZ-PMACEKPBSA-N	416.949	4.684	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)c1C	5870501	IVEOZBHZKFNEKH-CIAFOILYSA-N	407.514	4.529	50	20	HJGD	
CCCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC	6428284	GGRXGFCFGGFHTK-XNTDXEJSSA-N	400.862	4.692	50	20	HJGD	
COc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc2c1O[C@H](C)C2	27568926	XOKUCUDBEOMSSA-MRVPVSSYSA-N	401.677	4.736	50	20	HJGD	
Cc1cn2c(/C=C(/C#N)S(=O)(=O)c3cc(Cl)ccc3Cl)c(C)nc2s1	58391382	GQEOKJDGVQTSSB-SDQBBNPISA-N	412.323	4.658	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)c2ccc(Br)cn2)c1C	110046673	BTEWLKYDYSFMNJ-BOPFTXTBSA-N	415.335	4.633	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2ccccn2)ccc1OCc1ccc(C(=O)OC)o1	211374549	UUNGONBTQMGJMF-ATVHPVEESA-N	404.422	4.503	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(C(=O)NNc2ccc(Br)cc2)ccc1F	730588250	VMIFKDKJERQVIQ-UHFFFAOYSA-N	424.270	4.692	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc2c(c1)CCC(C)(C)O2	731563028	KTHJSKVAONBICY-PDGQHHTCSA-N	406.482	4.702	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc1	732123729	JQQLLRYATJXOTG-CPNJWEJPSA-N	421.497	4.656	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1	732281257	VKTJKMCQLDXNCQ-UHFFFAOYSA-N	421.522	4.651	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2nc3ccccc3s2)c1C	734111984	OMKPUICDMRKGOR-ZYTDBRAZSA-N	422.554	4.706	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H](Cc1ccccc1)c1cccs1	735188475	FAONEGMTZHBIJS-WNZYQOIOSA-N	423.582	4.579	50	20	HJGD	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NNc3c(F)cccc3F)c12	735694105	DYGXJGZOAJBHAK-UHFFFAOYSA-N	400.429	4.724	50	20	HJGD	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NNc2ccc(C(F)(F)F)cc2)CC1	747607020	YLRSZCMYYFBKCR-UHFFFAOYSA-N	422.407	4.607	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1cc(COc2c(Cl)cccc2Cl)on1	748308502	XUXBYTSCQAGMIQ-UHFFFAOYSA-N	412.660	4.971	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3cccc4c3CCCC4)cc(-c3ccco3)nc21	748577600	KVUFDJDWZHYQGY-UHFFFAOYSA-N	415.497	4.908	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1coc(-c2ccc(C)cc2)n1	749887337	UOFQQVVWMNWBNO-YVLHZVERSA-N	403.438	4.562	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(CCC(F)(F)F)cc1	752146458	VCDPKMAUAVVUGZ-UHFFFAOYSA-N	406.326	4.880	50	20	HJGD	
COc1cc(C(=O)NNc2cc(Cl)ccc2Cl)ccc1OCc1cscn1	752813094	QSEXOAQDXSMMFU-UHFFFAOYSA-N	424.309	4.794	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cn(-c4ccc(F)cc4Cl)nn3)c[nH]c2c1	755588601	DSFWGFZKPUNVAW-QPEQYQDCSA-N	405.820	4.639	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNc1nc(C(F)(F)F)cs1	755859854	NPFKLBCYWMDGIB-UHFFFAOYSA-N	416.812	4.546	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	756033563	YCMNXYHXHYLNNP-NSHDSACASA-N	404.363	4.561	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc(OC(F)(F)F)cc3)s2)cc1	761581506	UAUCYZHUYMPPFW-UHFFFAOYSA-N	423.416	4.783	50	20	HJGD	
C[C@@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NCc1ccco1	762974582	JUEOLHKVDLECEW-SNVBAGLBSA-N	413.368	4.763	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc2ncccc12)c1ccc(Cl)c2ccccc12	765917917	GZOTVAIHRWIJBV-CQSZACIVSA-N	418.884	4.747	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)c(C)c1	766555792	PFRBQAMSDCMUCG-LPHOPBHVSA-N	405.608	4.777	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)Nc1cccc(-c2ncco2)c1	770077489	MEQLIWGKGBPZJY-UHFFFAOYSA-N	407.655	4.906	50	20	HJGD	
O=C(NNc1ccc(F)cc1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1	772550205	KAGKUGKGLJMPOP-UHFFFAOYSA-N	403.286	4.505	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(Br)c2OC(F)F)cc1	776726410	XIIPUXHUHHBAGJ-XFXZXTDPSA-N	423.213	4.605	50	20	HJGD	
CC(C)Oc1cc(Br)cc(C(=O)NNc2ccc3ccccc3n2)c1	777459594	HICYCUKAGQRLTG-UHFFFAOYSA-N	400.276	4.541	50	20	HJGD	
CCC[C@@H]1C[C@H](C(=O)NNc2c(Cl)cc(Br)cc2Cl)CCO1	779921278	BEBQSHVIPXWZJT-MWLCHTKSSA-N	410.139	4.794	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ccnc(F)c2)cc1C	781362950	GJDYTWAVJPXOFT-UHFFFAOYSA-N	415.472	4.506	50	20	HJGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)CCO1	781970541	PGUVWTIRPIHLIA-ZYHUDNBSSA-N	409.246	4.506	50	20	HJGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1NCc1cn(Cc2cccnc2)nn1	784576233	NCVUKKBARXUXNW-MRXNPFEDSA-N	413.856	4.553	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)cc(Cl)c1OC	786044607	PQFARHLPSQOYIC-CHHVJCJISA-N	405.281	4.624	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2csc(COc3ccccc3)n2)cc1	787153613	FTSOLWRDRGXRQF-UWCCDQBKSA-N	419.506	4.515	50	20	HJGD	
CCCCCCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	797329204	OMIYXRKEQVSMQV-JXAWBTAJSA-N	409.921	4.721	50	20	HJGD	
O=S(=O)(N[C@H]1CCCC12CCOCC2)c1ccc(S(F)(F)(F)(F)F)cc1	800166719	VXFCFKMORCNGLR-AWEZNQCLSA-N	421.453	4.972	50	20	HJGD	
COc1ccccc1Nc1ccccc1C(=O)NNc1ccc(-c2ccccc2)nn1	800692114	CCSBBIUSLLDCAC-UHFFFAOYSA-N	411.465	4.653	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cc(Cl)ccc1F	801502096	XVWOBSDZWPIKJT-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1c(Cl)cccc1Cl	802045967	VNTHCGNWLBWBRI-SECBINFHSA-N	418.227	4.551	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3ncc(Cl)s3)cc2)cc1	814705880	PXVGIXSXBIJIKL-UHFFFAOYSA-N	415.902	4.538	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)ccc1-c1ccncc1	815582560	JMQRSFSAEVLOOR-UHFFFAOYSA-N	422.488	4.865	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3ncco3)c2C)c1C	816797449	GVPPWWJAXKATGS-SDLDRHLBSA-N	418.497	4.821	50	20	HJGD	
CNC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1	864293625	BAYZZEZCHPNEJA-ZHZULCJRSA-N	404.514	4.515	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cc(Cl)c3c(c2)OCO3)c(C)n1CC(F)(F)F	917096395	OHTRDSZHALIQSD-YIXHJXPBSA-N	410.779	4.839	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)Cc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1	920024133	ZZERCOVRLDLQNN-HNNXBMFYSA-N	414.427	4.742	50	20	HJGD	
Cc1cc(COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c(C)s1	920491591	KRXQOPZSXJRJCY-UNOMPAQXSA-N	416.506	4.793	50	20	HJGD	
CC(C)(C)OC(=O)N1CC=C(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CC1	1118223461	UPKBHTGKCNDFMM-UHFFFAOYSA-N	420.724	4.657	50	20	HJGD	
CC(C)(C)c1ncccc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1788336526	WLWDVGVRHCLEMO-GOSISDBHSA-N	417.912	4.661	50	20	HJGD	
C[C@@H]1CCC[C@@H]1C(=O)NC1(c2ccc(NC(=O)[C@@](C)(Cl)CCl)cc2)CCC1	1790494241	GSIXGMDBSXIBST-LIVBEALHSA-N	411.373	4.793	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)[C@@H](Cl)COC)cc3)CCC2)CC1	1791573064	XERRZAUABFVIEG-ZWOKBUDYSA-N	420.981	4.591	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc(OC)c3C)cc2)CCC1	1792076628	KBYMAORPZBWPGB-IBGZPJMESA-N	414.933	4.769	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3OC)cc2)CCC1	1792108652	NNXSEZMGYRNVFD-SFHVURJKSA-N	418.896	4.599	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(C)cc2)[nH]n1	1820860454	LLDHSMAHRAEUHL-AYBZRNKSSA-N	416.953	4.531	50	20	HJGD	
Cc1c(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)oc2c1ccc1ccccc12	27263117	JDXUDMARSSAFPI-UHFFFAOYSA-N	411.417	4.624	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC	96663198	DMIXLIDLYWXRNF-DHDCSXOGSA-N	400.862	4.610	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OCCCC#N)c2)c1C	108298330	VAXWHGCFQSPJKP-PKIWBCANSA-N	420.513	4.541	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)c1ccco1	212653360	FGWCTVUEPGBAJV-LGMDPLHJSA-N	410.389	4.830	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1c[nH]c2ccccc12	730206747	ATEMLOOFLLMPQQ-NRFANRHFSA-N	419.481	4.602	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)c1C	733934324	LUYLSOCCZNANSC-CZOXCOBZSA-N	413.484	4.655	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	734657691	KBCHFQRVLCOGHO-RNFRBKRXSA-N	423.279	4.640	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1cccc(C)c1C)c1cccc(C(F)(F)F)c1	743296855	ISBXICDAWPVPRK-JLHYYAGUSA-N	407.461	4.743	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C3CCCCC3)[nH]n2)c1C	743455941	BEQVIEGQLNQQLU-IWEBCOIVSA-N	409.534	4.629	50	20	HJGD	
O=C(NNC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1)NC1CCCC1	744482390	GHRWHINFYKRTFC-UHFFFAOYSA-N	408.285	4.672	50	20	HJGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2c(-c3ccccc3)nc3ccccn23)c1C	744743839	ZNFOLNQDVFOVNP-IBGZPJMESA-N	412.493	4.536	50	20	HJGD	
CCCC[C@H](NC(=O)NNC(=O)Nc1ccc(C)cc1Cl)c1ccc(OC)cc1	745801837	NZILQGBLHZANLT-SFHVURJKSA-N	418.925	4.924	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NNc3ccc(Cl)nc3)s2)cc1	745821438	QUCJWZGOWFYBAE-GFCCVEGCSA-N	417.922	4.563	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2cccc(OCc3ccccc3Br)c2)c1	748040916	DYNFANDNCDIWSH-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
O=C(CCc1ccccc1OC(F)(F)F)NNc1ccc(OCC(F)(F)F)cc1	748701607	PLIGBTJBOSOFHM-UHFFFAOYSA-N	422.325	4.602	50	20	HJGD	
O=C(CC1CCCC1)NC1CCC(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CC1	757426076	WLAFWCLABMLQAD-UHFFFAOYSA-N	424.497	4.909	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2Br)cnn1-c1ccccc1C	760459785	KNUBUMZKKSASKR-UHFFFAOYSA-N	413.319	4.653	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(Br)c(F)cc1F	760794334	WAVVCBSDIDXPEB-UHFFFAOYSA-N	412.621	4.686	50	20	HJGD	
C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)CCCC[C@H]1CCSS1	761247917	FDOYKLLKWPOGES-GGPKGHCWSA-N	406.661	4.973	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1	761335573	UVJXROYOLUKDSG-AWEZNQCLSA-N	423.856	4.726	50	20	HJGD	
CC(C)NC(=O)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	767188614	VOAALBRBHNRMJO-UHFFFAOYSA-N	400.693	4.542	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)CC(=O)c2ccco2)c(C)n1C1CCCCC1	771563822	KGWGOVCOTQTPGR-ZHTGWBIJSA-N	407.514	4.888	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(C2CC2)nc2ccc(F)cc12	771675561	WWZGILMYNKZYOW-UHFFFAOYSA-N	418.241	4.910	50	20	HJGD	
O=C(NNc1cnccn1)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1	775281464	SGWCEZAOZLEYHV-UHFFFAOYSA-N	408.380	4.543	50	20	HJGD	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NNc1ccc(Cl)cc1Cl	778391848	QTIKNVKTKKWEIA-MRVPVSSYSA-N	409.239	4.616	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc(SC(F)F)cc1	781586373	KQOQCPCLCFYKGX-UHFFFAOYSA-N	403.479	4.818	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(Cl)cn2)c1C	781603832	XTHJNSIAUJSIAQ-JLYGDYLGSA-N	401.894	4.572	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(C(F)(F)F)nn(C)c1Cl	782106533	HPDCQOUVQCIBOK-RMKNXTFCSA-N	403.191	4.600	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(F)c(Cl)c2)nn1)c1nc2ccccc2n1C(F)F	782887370	MNKVMGMTJUFBIN-XFFZJAGNSA-N	414.778	4.869	50	20	HJGD	
CCCN(CCC)C(=O)c1ccc(NC(=O)NNc2ccc(Cl)c(OC)c2)cc1	788573005	RTCTYBDFXDDVDX-UHFFFAOYSA-N	418.925	4.759	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	790588859	QJCVJXYAFAEVIN-UHFFFAOYSA-N	406.826	4.576	50	20	HJGD	
COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCSSC)CCO2	790879849	UKWIJBRZKXPSIS-IBGZPJMESA-N	418.584	4.742	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	794703489	SLBIVRMGUOXHCZ-XYOKQWHBSA-N	401.228	4.812	50	20	HJGD	
Cc1cnn(C)c1C=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	794860498	RBFSLAOREBLJBK-UHFFFAOYSA-N	424.504	4.738	50	20	HJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cn1	797788779	USBKXXQQYCETLP-MOSHPQCFSA-N	409.898	4.841	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1ccc(C(F)(F)F)cc1N1CCCC1	802828758	FVZLFYZQMDEYSJ-UHFFFAOYSA-N	400.404	4.611	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1ccccc1OCc1ccc(Cl)cc1Cl	804766691	MWYJENFBWXAQCE-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
Cc1cccc(CCCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n1	807293211	OETHFLHPLYEPRL-UHFFFAOYSA-N	423.407	4.735	50	20	HJGD	
ClCCCOc1ccc(CNCCc2nc(-c3cccc(Cl)c3)no2)cc1	811480747	DUQYEXBHVGJXCJ-UHFFFAOYSA-N	406.313	4.730	50	20	HJGD	
CC(/C=C(/C#N)C(=O)Nc1ccc2c(c1)OCCO2)=C\c1ccccc1OC(F)F	811687210	MAGRTJQQPWXPQH-DECHVDIESA-N	412.392	4.551	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)CC(Cl)Cl)cc12	816628630	DPXMGPJXFKMLFV-UHFFFAOYSA-N	416.761	4.984	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2nccn2C(F)F)c(C)n1C1CCCCC1	913023605	RELSHLDPLZFGRP-LDADJPATSA-N	415.488	4.767	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cccc(OC(C)C)c2)c(C)n1C[C@@H]1CCCO1	918951560	AQALLAXPTRVXHU-MFUBYVTQSA-N	422.525	4.722	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccccc2OC(C)C)c(C)n1C[C@H]1CCCO1	918953710	WVEYKIVSXNNOOK-CXSSSTRGSA-N	422.525	4.722	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(CN(C)CC)c2)c1C	921087644	HLOLVLXQOJONFA-IWIPYMOSSA-N	406.574	4.580	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)[nH]n3)CCC2)cc1	1786447417	VLMUXPKEJYXURP-KRWDZBQOSA-N	416.953	4.688	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cccc2ncsc12	1789343940	UHDUYQIQMWGXIM-QGZVFWFLSA-N	417.893	4.578	50	20	HJGD	
C=CCC(=O)NC1(c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3F)cc2)CCC1	1791140071	IELUNJMINOWTOY-GHRIWEEISA-N	421.447	4.582	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3OC)cc2)CCC1	1792108651	NNXSEZMGYRNVFD-GOSISDBHSA-N	418.896	4.599	50	20	HJGD	
CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)Cl)CC1)c1ccccc1	1827603688	CZFONQKDUPWYCZ-HKBOAZHASA-N	422.972	4.580	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccc(OC[C@H]3CCCO3)cc2)n1	14179340	HNODKGUFAIBLDW-QIPHDZALSA-N	411.527	4.544	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1	16411285	MXQDDMGZYCCSIP-WUXMJOGZSA-N	421.678	4.671	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1OC	211184374	SLWKAQDPABKCRY-BOPFTXTBSA-N	419.506	4.990	50	20	HJGD	
O=C(/C=C/c1cccc(OC2CCCC2)c1)NNC(=S)Nc1cccc(Cl)c1	727865348	QGRMBWJDQUXPGA-VAWYXSNFSA-N	415.946	4.692	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccccc1	730671629	HKMSUALKNQQLNE-INIZCTEOSA-N	423.900	4.624	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cnn(C(C)C)c2)c(C)n1-c1ccc(F)cc1	732749146	PVZXQUQHWRGFIR-PBGVMVHZSA-N	419.504	4.795	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	734304441	JMLPHDRCPUTDCD-PDGQHHTCSA-N	403.463	4.855	50	20	HJGD	
COc1cc(C(=O)NNc2c(F)cccc2F)ccc1OCc1ccccc1Cl	735698580	SRQCTAPVTCFPIA-UHFFFAOYSA-N	418.827	4.963	50	20	HJGD	
CC(C)(C)C[C@@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1	745525808	JSYZFJMPXZMWGP-QGZVFWFLSA-N	420.460	4.801	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C(C)(C)c2ccc3c(c2)OCO3)c1C	747318199	HMVDMDAYCZYFCF-XDHOZWIPSA-N	407.514	4.544	50	20	HJGD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748704269	GDYFCHOPKVRHNR-GFCCVEGCSA-N	420.353	4.968	50	20	HJGD	
CNC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	750885437	YJLMHGDVSVLVRT-RGEXLXHISA-N	404.514	4.515	50	20	HJGD	
O=C(CCCc1cc(Cl)sc1Cl)NNc1nc(C(F)(F)F)cs1	755852204	GUCZXEXOAAEQOO-UHFFFAOYSA-N	404.266	4.996	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccc(OC(F)(F)F)cc3)o2)cc1	761590873	HCAKSXWEVJMSTP-UHFFFAOYSA-N	404.344	4.805	50	20	HJGD	
CCOC(=O)N1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762976705	XQSRAUUOXZQCGZ-UHFFFAOYSA-N	403.373	4.650	50	20	HJGD	
C[C@@H](OC(=O)[C@@H](Br)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1Cl	766748871	BCKZGRUWQZUKFU-PRHODGIISA-N	411.123	4.673	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2nc(-c3c(F)cccc3F)cs2)cc1	768010256	IPFFTQKLSDSAOL-NTEUORMPSA-N	412.417	4.747	50	20	HJGD	
O=C(NC[C@@H](O)c1ccc(F)cc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	770128137	GEXLRVJYJUXSTJ-UKRRQHHQSA-N	422.831	4.900	50	20	HJGD	
N#C/C(=C/c1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)c1cc(F)cc(F)c1	773169384	ARPNKMVNJLSWCM-WDZFZDKYSA-N	405.191	4.642	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)NNc2ccc3ccccc3n2)cc1	775653090	OIMITKYALIGAIM-HNNXBMFYSA-N	421.501	4.969	50	20	HJGD	
O=C(Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)NNc1ccccn1	777475134	MRVGQOLNCKSUFU-UHFFFAOYSA-N	412.280	4.548	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NNc1cc(Cl)ccn1	778453385	UPZSSAGDHSJVHM-UHFFFAOYSA-N	424.719	4.530	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1F	779800056	SJQQVPLUKOMUNZ-NTUHNPAUSA-N	400.258	4.870	50	20	HJGD	
O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)NNc1ccc(Cl)c(F)c1	780992737	CKNPJHJIMDUJDP-NRFANRHFSA-N	414.864	4.625	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1	782714155	VLSGLGZSQHDPHM-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cn(C)nc1C1CCCCC1	783809234	ATOFNLACRQORHE-UHFFFAOYSA-N	407.543	4.664	50	20	HJGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)C(=O)Nc1cccc(Cl)c1Cl	785160835	HYTVIHWMEYOXCI-UHFFFAOYSA-N	423.687	4.585	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc(Cl)cc(F)c1Br	786426857	KWIOTRAORPJWEA-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NNc1nc2ccccc2s1	786535574	ROQHLMFHWYVRMX-UHFFFAOYSA-N	404.908	4.560	50	20	HJGD	
CC(C)(C)OC(=O)NCc1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1	787134952	KQHKZVCFPJZQEQ-UHFFFAOYSA-N	410.301	4.775	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(Oc3cccnc3)c(C)c2)cc1	787156436	ZJJNPPRHKCRYKB-SXZORUHJSA-N	413.477	4.975	50	20	HJGD	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NNc1ccc2ccccc2n1	790852653	ZZJDUBSIHMJVSA-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	792308326	WKACKDASMVSZHB-UHFFFAOYSA-N	421.354	4.884	50	20	HJGD	
CC(C)[C@@H](C=NNC(=O)c1c(Cl)cccc1Cl)CNC(=O)OC(C)(C)C	794508984	WMMBYFLATZWBRZ-GFCCVEGCSA-N	402.322	4.506	50	20	HJGD	
Cc1cnn(C)c1/C=C(/C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	794686912	PTZCPWHSUJZLTF-WZUFQYTHSA-N	418.309	4.705	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)C2CCOCC2)cc1OCC	794956894	BBRJUCBYJPSTEC-MHWRWJLKSA-N	422.319	4.539	50	20	HJGD	
Cc1cnc([C@H](NC(=O)NNc2ccc(Br)cc2Cl)C2CC2)s1	812059611	MACFOEMQEXSSTA-CYBMUJFWSA-N	415.744	4.645	50	20	HJGD	
O=C(NNc1ncncc1F)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	817081274	YMPBITKUMOTHBE-INIZCTEOSA-N	423.300	4.899	50	20	HJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c(C)c1	916154247	FJOHQNOUHISQTR-LDADJPATSA-N	409.917	4.648	50	20	HJGD	
CCCCc1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2O)c2cccs2)cc1	916204201	KBEFCOGIFADPHR-OAQYLSRUSA-N	423.538	4.530	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c(C)n1CC(C)C	917695938	GFOWXHDIMZRMOL-XDHOZWIPSA-N	419.529	4.591	50	20	HJGD	
CCn1c2ccccc2c2cc(C=NNC(=O)c3nnc(-c4ccccc4)o3)ccc21	920382084	UGLICAUAOYFOKC-UHFFFAOYSA-N	409.449	4.628	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)c1ccc(F)cc1	921266478	YPWLOLKKHOXYRK-LFIBNONCSA-N	418.262	4.793	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c1C	929350292	ZMSJRXZOCLDWAF-XDHOZWIPSA-N	405.527	4.969	50	20	HJGD	
CC(C)(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)ccn1	1787035827	ZQTUMCUETWOYCP-GOSISDBHSA-N	417.912	4.661	50	20	HJGD	
Cc1ccccc1C(=O)NC1(c2ccc(NC(=O)[C@H](C)Br)cc2)CCC1	1791435176	WLLPXDIZMYOERF-HNNXBMFYSA-N	415.331	4.526	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2C)CC1	1824609837	HAHXYHWQRLZBOQ-PZJWPPBQSA-N	422.972	4.775	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2)CC1	1830058272	MRQFRGORMDPDJL-NHCUHLMSSA-N	404.982	4.636	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1C[C@@H]1CCCO1	7654503	GLRRPCRUCNQWMX-YZILGEIOSA-N	417.431	4.848	50	20	HJGD	
CC(C)OCc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2ccccc12	16490345	DGVHJKGSXDBSBN-UHFFFAOYSA-N	421.280	4.739	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCO[C@H](c3ccccc3F)C2)c1C	727393392	AAPYWIOFNYLTFH-CBIIRDDDSA-N	409.505	4.551	50	20	HJGD	
CCC(CC)(NC(=O)NNC(=O)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1	729229494	FDWQBXRNEOKGNA-UHFFFAOYSA-N	419.312	4.525	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2scnc2C)c1C	731174349	WHXHNJICHRHIKR-RGVLZGJSSA-N	404.539	4.733	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1	732222239	SFOYAIHABQVNFH-UHFFFAOYSA-N	420.937	4.657	50	20	HJGD	
CC(C)CCn1nc(C(=O)NN=C(C(C)C)C2CCCCC2)c2ccccc2c1=O	733907303	MTYXHJBQUQSGLO-UHFFFAOYSA-N	410.562	4.765	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3cccc(C(F)(F)F)n3)c(F)c2)c(F)c1	740136359	ONGPZPIBFRBXFF-UHFFFAOYSA-N	423.341	4.811	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@](C)(O)c2cccs2)c(C)n1C1CCCCC1	740163646	HJOSWAHUZZRPHF-FOYGFLCZSA-N	411.571	4.603	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1	740763359	AFHGAEKNNJNVNR-PDGQHHTCSA-N	420.900	4.756	50	20	HJGD	
Cc1cc([C@H](NC(=O)NNC(=O)CC(C)(C)C)c2ccccc2Cl)ccc1F	745856075	BDGIDTXKLWBZEA-IBGZPJMESA-N	405.901	4.644	50	20	HJGD	
C[C@@H](CCNC(=O)NNC(=O)CCCc1ccccc1)c1cccc(C(F)(F)F)c1	746423369	YZWUQXOSIZXJJH-INIZCTEOSA-N	421.463	4.552	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)c(OC)c1	750894810	BTJUIVBXGNHKMW-GDNBJRDFSA-N	420.387	4.581	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1OC1CCCC1	752634396	OVCIXSAXQASLMR-UHFFFAOYSA-N	419.403	4.664	50	20	HJGD	
CCSc1ccc(Cl)cc1C(=O)NNc1cc(CC)nc(-c2ccccn2)n1	752802698	XONVCTVLRICUQZ-UHFFFAOYSA-N	413.934	4.623	50	20	HJGD	
O=C(NNC(=O)C1(c2c(Cl)cccc2Cl)CC1)c1c(Cl)cccc1Cl	759184566	PPUWUTZLUHCKNA-UHFFFAOYSA-N	418.107	4.793	50	20	HJGD	
Cc1ccccc1-c1nc(C(=O)NNc2ccc(Br)c(F)c2)cs1	771680918	OSNIARCPLUBNGD-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccc(Br)c(F)c3)cs2)cc1	771689562	SHYUYIFEXUJWRG-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C	777478295	VEPJKLBGIIMCEA-UHFFFAOYSA-N	403.461	4.748	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cc(Cl)cc(C(F)(F)F)c1	777760538	RZIWKMYGWQZDDB-UHFFFAOYSA-N	408.232	4.644	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cccc(-c4csc(C)n4)c3)c(C)cc2c1	778479364	WTLQGWWGKLDFIV-UHFFFAOYSA-N	404.495	4.741	50	20	HJGD	
O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)NN(c1ccccc1)c1ccccc1	782821123	KLWUWGMJPFEPBC-UHFFFAOYSA-N	400.265	4.801	50	20	HJGD	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NNc1ccc(C(F)(F)F)cc1	789588441	HQZBJQHOQNEHGS-UHFFFAOYSA-N	405.420	4.639	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(F)cc2)C2CC2)c1C	790312330	QAMJCBWLYHNXDB-WCEBZYJUSA-N	409.505	4.550	50	20	HJGD	
O=S(=O)(Nc1ccccc1N1C[C@H]2CC[C@H]1C2)c1ccc(CCCCl)cc1	790348411	NLYQGMYDLMAVSA-ROUUACIJSA-N	404.963	4.648	50	20	HJGD	
COc1ccccc1OCc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)o1	791733229	DGBAANVKSYCWFX-UHFFFAOYSA-N	407.253	4.931	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3nccnc3C3CCC3)c2C2CC2)cc1Cl	805471194	CETAIAXWHOCXBV-UHFFFAOYSA-N	422.920	4.526	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCOC[C@H]1[C@@H]1CCCO1	806421618	BKALNEPNEYJXSN-KBPBESRZSA-N	402.385	4.756	50	20	HJGD	
CCCCN(C)C[C@H](C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	808354099	IEKBQZWLCGPNQW-LBPRGKRZSA-N	410.474	4.743	50	20	HJGD	
C[C@@H](Oc1ccccc1NC(=O)NNc1ccc(C(F)(F)F)cn1)C(F)(F)F	808867152	HDYSVGSIAPGTIZ-SECBINFHSA-N	408.302	4.579	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc(C(C)=NNC(=O)Nc2ccc(Cl)cc2)cc1	815005288	UGIAYCSOQQLDKZ-UHFFFAOYSA-N	401.898	4.759	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3)co2)c1C	816509308	MBWLEONSDHCGKN-IWEBCOIVSA-N	404.470	4.513	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NCCCSC#N)c3cnn(C(C)C)c3n2)c(C)s1	816539207	WNFPBLSBYHAKRF-UHFFFAOYSA-N	413.572	4.692	50	20	HJGD	
CC(C)Nc1ncccc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014376	FWJYKXHOHKQGRX-UHFFFAOYSA-N	406.330	4.696	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(Cl)c(NC(=O)c2cccs2)c1	876995097	WIMRPORNNKFRNK-UHFFFAOYSA-N	407.829	4.689	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CCN(Cc3ccccc3)CC2)c1C	887552545	CUFOCWMDHZPKQL-ULJHMMPZSA-N	418.585	4.593	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccccc2F)C(C)C)c(C)n1C[C@@H]1CCCO1	914501670	LBTTVGTZEKKRRF-YQZDYSOMSA-N	423.532	4.767	50	20	HJGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccc(-c2ccccc2Cl)s1	915111407	HYNLZEYAQWBPIP-UHFFFAOYSA-N	422.897	4.871	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc3ccccc3n2)c(-c2ccccc2)cc1OC	915270102	NUIVPEADSYWRCY-UHFFFAOYSA-N	411.461	4.683	50	20	HJGD	
COc1ccc([C@@H](CNC(=O)NNc2ccc(F)cc2)c2c[nH]c3ccccc23)cc1	915891952	ZMVKYFSEJQUJAS-OAQYLSRUSA-N	418.472	4.774	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1cc2ccccc2nc1Cl	916304270	IBKIVUXUKGFCHM-UHFFFAOYSA-N	412.927	4.740	50	20	HJGD	
COc1cc([C@H](C)NC(=O)NNc2ccccc2C(F)(F)F)ccc1OC(C)C	918211876	DMHWGEOZYRFJHN-ZDUSSCGKSA-N	411.424	4.889	50	20	HJGD	
C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CCC[C@H]1C	918239362	FEEJMMXNDOQNPC-XSLLRJJBSA-N	422.900	4.785	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)Cc3cscn3)c2C)cc1	920280863	WSCKTQWUJICCQA-YBFXNURJSA-N	420.538	4.515	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCCN2CCC[C@@H]2C1	1318879452	PMUFQNRVNCLSOW-IUODEOHRSA-N	407.889	4.608	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1	1786011897	JLLRXGHUDVVZPH-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3F)cc2)CCC1	1790639210	TVXLUUGURFOHJQ-GOSISDBHSA-N	418.896	4.599	50	20	HJGD	
C[C@H](C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1ccccc1	1791608170	GYYQSPSCCGLWDI-AWEZNQCLSA-N	405.325	4.728	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCSC3)cc2)CCC1	1792283410	LESNTJPKWQCDLW-OAHLLOKOSA-N	408.995	4.529	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3sccc3Cl)CC2)C1	1806164525	DFGWRURVSMUWNR-HNNXBMFYSA-N	417.402	4.654	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1	1824629217	WOJDFGFQBSKSSR-IAGOWNOFSA-N	420.972	4.695	50	20	HJGD	
CCCCC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(Cl)Cl)CC1	1831880941	OSFMDXVURWBXLM-NVXWUHKLSA-N	405.410	4.626	50	20	HJGD	
O=C(Nc1cccc(F)c1)C1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	725720472	ZOPCVKZOPSYMMA-GOSISDBHSA-N	410.580	4.717	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)c2ccccc2)c1C	735438553	GYONVCHFCPVJSK-ZVCOJXFSSA-N	419.447	4.815	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C)c1ccccc1	740761708	HRKQVOOTQRJSQA-OAQYLSRUSA-N	408.933	4.846	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(\C#N)c3nc4c(C)ccnc4[nH]3)cc2)oc1C(=O)O	741470970	VVNNAAJMGBXIOC-MHWRWJLKSA-N	414.421	4.509	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=Cc2csc(-c3cccs3)n2)cc1Cl	741769292	JHMJWYBCGWXWGH-UHFFFAOYSA-N	422.919	4.698	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1C	742013732	CVPNNKRDNAZRDZ-UELZEPHDSA-N	419.569	4.877	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)COCC(F)(F)F)c(C)n1C1CCCCC1	742409283	AXKMKSQHEXZIOG-KPYNCUPYSA-N	411.468	4.601	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1	743058806	LQZMDKCIWLUISH-HRVJUDJTSA-N	417.914	4.545	50	20	HJGD	
O=C(NN=C1CCCc2nc(-c3ccc(F)cc3)sc21)Nc1ccc(C(=O)O)cc1	743444705	QQYUKIYANJHGNS-UHFFFAOYSA-N	424.457	4.510	50	20	HJGD	
O=C(NNC(=O)c1csc(-c2ccccc2)n1)Nc1ccc(-c2ccccc2)cc1	743826326	YXQGXCSIMBVFNV-UHFFFAOYSA-N	414.490	4.944	50	20	HJGD	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)NNc1ccc(Cl)c(F)c1	746695215	DVNBQKOFYLQHSM-UHFFFAOYSA-N	409.845	4.719	50	20	HJGD	
CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(Cl)c(F)c2)c1	746698644	IPGOUWSSEIYPAT-UHFFFAOYSA-N	413.280	4.809	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc2cccnc12	747356512	SDHAXMJCWLHIRH-UHFFFAOYSA-N	402.435	4.635	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C	747989392	XCYAJARKPUDVRZ-KRWDZBQOSA-N	408.424	4.747	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1NC(=O)NC(C)(C)C	748019015	UWWIIQJCLWGMCW-UHFFFAOYSA-N	409.317	4.979	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2SC(F)(F)F)cc1C(F)(F)F	748629865	QJBIAPVTBHOYQE-UHFFFAOYSA-N	405.323	4.946	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCCN(C(=O)C2CC2)CC1	752989931	GEHNGIWRVQZGIZ-UHFFFAOYSA-N	413.412	4.820	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl	753392019	YFIFIYMABMEHNV-SFHVURJKSA-N	406.313	4.603	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1c[nH]c2ccc(Br)cc12	754150450	UAYPDZZZZQDHSX-UHFFFAOYSA-N	416.172	4.845	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1ccccc1Oc1ccccc1	755405890	SFALMTYQNBJAGF-UHFFFAOYSA-N	414.421	4.600	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)c1	758927158	JFOAFUFHFVGPSZ-YLRSXTQRSA-N	403.438	4.573	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc(Oc2cccc(Cl)c2Cl)cc1	759290448	MPZJSEMFGMCNAS-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)c(Cl)c1	759694105	SHTBUXLDDPPYQW-SFHVURJKSA-N	404.873	4.583	50	20	HJGD	
COc1ccc2c(c1)CCN2C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	765814585	AITSHNPUQSLWBQ-UHFFFAOYSA-N	422.375	4.880	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)cc1C	766555698	JYDGUYQCHAIXGH-JXFKEZNVSA-N	405.608	4.777	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1ccc(Oc2ccc(F)c(F)c2)cc1	771561204	LWCQYHUADZLVGE-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)c1C	772918076	POVRFJPQCOINAR-AWEZNQCLSA-N	409.921	4.521	50	20	HJGD	
CN(CCC#N)c1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	773146348	WYMRLODHNRTDPO-WJDWOHSUSA-N	401.363	4.984	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)CCCC(F)(F)F)c(C)n1C[C@H]1CCCO1	774724567	WPGZKZQXQZPKDX-WZYODXKZSA-N	412.452	4.855	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)NNc2ncc(Cl)cc2Cl)c(C(F)(F)F)c1	775470540	SGQGASJGIKUXCC-UHFFFAOYSA-N	422.194	4.514	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	778446400	BKELAGKRWJVMSQ-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3cc(Cl)ccn3)c2)cc1	778447539	WHTDHZGMBWOIJJ-UHFFFAOYSA-N	423.900	4.593	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cccc(OCc2cccs2)c1	779200775	NYMGMMDLTCWBMT-UHFFFAOYSA-N	408.401	4.983	50	20	HJGD	
Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	782125208	XQHRPMSLWYPCRQ-UHFFFAOYSA-N	411.676	4.518	50	20	HJGD	
CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NN(Cc2ccccc2)c2ccccc2)c1	782824767	OGQMUYBZFKZCSE-LJQANCHMSA-N	417.509	4.540	50	20	HJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1OC	787151747	QUXVDAPZWBZODO-XGHPXPSOSA-N	414.889	4.540	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cccc(Cl)c1F	801505947	PYHKIYXNXJTRAP-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	806990727	NKWSNMFLGDSXNK-UHFFFAOYSA-N	415.371	4.520	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1C	912664274	QVFSMAATJSCDPC-XDHOZWIPSA-N	401.457	4.682	50	20	HJGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1sc(Oc2ccccc2)nc1Cl	915952860	AXOUFTUQSGSWFK-LBPRGKRZSA-N	419.865	4.646	50	20	HJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1	916129035	QRCRDZCKZAUHKL-YBEGLDIGSA-N	421.478	4.556	50	20	HJGD	
O=C(NCc1cccc(Oc2ccccc2)c1)NNC(=O)C12CC3CC(CC(C3)C1)C2	916628693	YQCWIXZZFRNSIT-UHFFFAOYSA-N	419.525	4.526	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(CN3CCCCCC3)CC2)c1C	918693194	QGISQDXQZXSUHG-JJIBRWJFSA-N	410.606	4.537	50	20	HJGD	
NC(=O)c1cnc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c(Cl)c1	1324548664	ROYBNUPPRSCOCO-UHFFFAOYSA-N	401.744	4.744	50	20	HJGD	
Cn1c(/C(C#N)=C\c2cccc(OCc3cccc(C(=O)O)c3)c2)nc2ccccc21	1326914296	DBALCQCGQFXCFO-NDENLUEZSA-N	409.445	4.915	50	20	HJGD	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)[C@H](F)Br)CCC2)cc1	1790452481	CQOQCUUHZWHTLI-KRWDZBQOSA-N	411.315	4.557	50	20	HJGD	
C[C@@H](C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cccs1	1791607201	NQDHSLXCUGTWDO-GFCCVEGCSA-N	411.354	4.789	50	20	HJGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(C)c1Cl)C2	1800077692	WVENCKQGOYMGJL-XFMPKHEZSA-N	417.764	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)CC2)C1	1806162776	URJZQOXLTGLWTP-FPOVZHCZSA-N	419.009	4.737	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccsc2)n[nH]1	1817519064	OWLUSORGSJQXTF-WBVHZDCISA-N	422.982	4.504	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)s2)CC1	1825346596	BKIZLXYFIBYFQI-JKSUJKDBSA-N	414.974	4.528	50	20	HJGD	
Cc1cccc2sc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)nc12	72110656	RFUILDAOYLWQKJ-ZYNFKGNASA-N	420.538	4.748	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(C)cc2)c1C	208031680	JJZWOPSDSKINFP-STZFKDTASA-N	414.509	4.801	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(CN2CCc3ccccc32)cc1	303519141	DVXQSIURICPOPP-UHFFFAOYSA-N	408.933	4.554	50	20	HJGD	
CC(C)CC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	726119733	BVGLOKRVDNMBLA-AQTBWJFISA-N	400.438	4.970	50	20	HJGD	
CCn1nc(C)c(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1C	727331772	WHXWKHBWHWGNOD-BKUYFWCQSA-N	407.562	4.667	50	20	HJGD	
CCc1noc(-c2ccc(CCNC(=O)CCCC[C@@H]3CCSS3)cc2)n1	727744166	CNEGPMZQOYGHHR-QGZVFWFLSA-N	405.589	4.672	50	20	HJGD	
Cc1ccc(C(N)=O)cc1OC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	728843157	KEIPWJQFFXYTRA-UDWIEESQSA-N	405.498	4.530	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccccc1OCc1ccc(Cl)cc1	730290342	DYBLOEXPPUWPBH-UHFFFAOYSA-N	403.869	4.646	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3ccc(F)c(F)c3F)c2c1	730590050	UQFAUMVBQDWMNG-UHFFFAOYSA-N	408.383	4.779	50	20	HJGD	
CCO[C@@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccccc1	731477899	RENGGJXGHVQTJL-OAHLLOKOSA-N	417.225	4.689	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3cnn(C(C)C)c3)c2C)cc1	732747512	CLIOFIVEASIKOH-JJUBJSHISA-N	415.541	4.964	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cs1)C1CC1	734304456	KEFYRNJVFIXJBZ-SDQBBNPISA-N	406.294	4.755	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)c(OCc3ccccn3)c(C)c2)cc1	734305019	FHIKDBZMVAJJBP-UCQKPKSFSA-N	411.505	4.809	50	20	HJGD	
CCO[C@H](C)c1nc(COC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cs1	736743665	YJFDNUSNYZTXBT-CNQPKBAFSA-N	415.559	4.965	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1C(F)(F)F	741518260	UKPHWQRFGBULFV-BUBBNXEVSA-N	408.464	4.563	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)N(CC)CC)cc2)c1C	741597409	NEISZUJOWIEMHM-CJLVFECKSA-N	421.541	4.900	50	20	HJGD	
CC(C)=CC(=O)NCc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)cc1	742491530	XPVAJNKHLDCRGU-UHFFFAOYSA-N	413.521	4.621	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c(C)c1	743761698	NLOVTLLGTKMHHH-UHFFFAOYSA-N	423.586	4.593	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ncc(C)cc2Br)c1C	754421431	DWXXGNCYSSXHBO-CXUHLZMHSA-N	401.308	4.527	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccccc1SCC(F)(F)F)c1ccccc1	755595251	RTEFXCHCGFNIIX-AWEZNQCLSA-N	411.449	4.688	50	20	HJGD	
O=C(CCCc1cc(Cl)sc1Cl)NNC(=O)NCc1ccc(Cl)cc1	755667703	MEZAECJMJPJGCY-UHFFFAOYSA-N	420.749	4.562	50	20	HJGD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	765864610	KIGZOTGSQKADEN-MFOYZWKCSA-N	419.268	4.727	50	20	HJGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NNc1ncnc2ccsc12	766679361	YEYIZOLVSNUCHO-UHFFFAOYSA-N	411.556	4.793	50	20	HJGD	
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cccc(-c2cccnc2)c1	768486944	SDOLZQSTCXTLEU-UHFFFAOYSA-N	400.265	4.585	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)NCCC2=CCCCCC2)c(-c2ccccc2)n1	768553217	SVYWRXUXZBIARR-XLNRJJMWSA-N	413.525	4.768	50	20	HJGD	
N#C/C(=C/c1cccc2nccn12)C(=O)Nc1nc(-c2ccccc2Cl)cs1	769608025	NKVOWCRIVQNTKY-RAXLEYEMSA-N	405.870	4.657	50	20	HJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3ccc(F)c([N+](=O)[O-])c3)cs2)cc1	771595838	PFAAEOZPKTXYAY-UHFFFAOYSA-N	400.435	4.738	50	20	HJGD	
Cc1cccc(COc2cccc(NC(=O)C(=O)NNc3cccc(Cl)c3C)c2)c1	773768007	JIBXNOWPSDJVAH-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1	773768597	OECLVJICLSRIMS-UHFFFAOYSA-N	415.921	4.580	50	20	HJGD	
COc1cc(/C=C(\C(=O)NNc2c(F)cccc2Cl)c2ccccc2)ccc1O	774084131	SJLPGLRZQJXCHX-VBKFSLOCSA-N	412.848	4.877	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccccc3OC(F)(F)F)cs2)cc1	779209692	PNMUCYLUNXYLNN-UHFFFAOYSA-N	407.417	4.703	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)cc(C#N)n1C	779299419	FEMITHJNCZVQHM-KGONEIDKSA-N	406.489	4.583	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1nc(Br)ccc1F	791442822	LOUVTXNKDPRWAA-UHFFFAOYSA-N	413.461	4.700	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1C(F)(F)F)c1cc2ccccc2o1	794521004	XUQXTXNEVOLCPY-UHFFFAOYSA-N	411.177	4.978	50	20	HJGD	
COC(=O)c1occc1/C=C(/C#N)C(=O)c1cc(C)n(Cc2ccccc2Cl)c1C	797120586	ZLYXVBFNGZSJDK-WQRHYEAKSA-N	422.868	4.976	50	20	HJGD	
Cc1sc(Br)c(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1C	799704878	AFLMHKPBBUKGEG-UHFFFAOYSA-N	409.227	4.783	50	20	HJGD	
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1c(C)nn(CCCl)c1C	800566762	NJTYERKDUORTHM-UHFFFAOYSA-N	423.904	4.543	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccnc1SCC1CCCCC1	805385921	AHZXLQSXEIAIDF-UHFFFAOYSA-N	400.504	4.728	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)cc1	817908859	RSPDLTFJRIIJGX-UHFFFAOYSA-N	406.511	4.859	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	818259757	KCJQPBMEGXRSDG-XYOKQWHBSA-N	406.314	4.996	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cc(C)ccc2C)cc1	857830857	CQBFBHGRLHXOQJ-UHFFFAOYSA-N	412.493	4.922	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1scnc1C	915109902	JHOAJEQPVQRNPA-UHFFFAOYSA-N	421.551	4.774	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/C=C\c2ccccc2[N+](=O)[O-])c(C)n1CC(F)(F)F	915863197	QPCZOPWJAPKRJF-ACKKYSEPSA-N	403.360	4.922	50	20	HJGD	
CC[C@@H](C)c1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2O)c2cccs2)cc1	916205708	KWNSXYHYAGLAFZ-QVKFZJNVSA-N	423.538	4.701	50	20	HJGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)c3sc(-c4ccccc4)nc3C)c(Cl)c2c1	1317858515	QUWJPEFTLDLTCF-UHFFFAOYSA-N	424.913	4.636	50	20	HJGD	
CC(C)n1nc(-c2nnc(CCCC[C@H]3CCSS3)o2)c2ccccc2c1=O	1326514802	VFMMFMTWDDUQJK-AWEZNQCLSA-N	416.572	4.894	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)c3cccs3)CC2)c(C)n1CC(C)C	1331474845	WBRVJIJGKQVUHT-FYJGNVAPSA-N	423.582	4.851	50	20	HJGD	
CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)[C@@H](Br)CC)CCC2)cc1	1786259818	FFJNFHVBPODMDU-YOEHRIQHSA-N	409.368	4.730	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cccc(F)c1Cl	1790667842	WZHCHHSBCWNJKM-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2s1	1798086697	IMFIXFMIGOEVIP-YVSFHVDLSA-N	422.953	4.700	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1F	1799959804	GNZQVBYMBIYMLG-LJDSDSDDSA-N	414.993	4.732	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2Cl)c(C)n1C[C@@H]1CCCO1	24003782	YPXBGDPQJFGAGL-IZOKPTBVSA-N	411.933	4.722	50	20	HJGD	
CC[C@@H](C)[C@H](C(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	728832711	PAIYKUKOMBPIBY-PXAZEXFGSA-N	423.738	4.693	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccc(-c2nc3ccccc3s2)s1	730288954	JQUPRVWSKSXHGC-UHFFFAOYSA-N	402.504	4.752	50	20	HJGD	
O=C(CSc1cccs1)Nc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	735331863	RXRDPFZIGMAFJV-UHFFFAOYSA-N	419.478	4.514	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1NC(=O)Nc1ccccc1	741287600	WEUAVLFDPWBLCR-UHFFFAOYSA-N	414.387	4.813	50	20	HJGD	
O=C(NNc1ccc(F)cc1)c1cccc(Sc2cccc(Br)c2)n1	741664850	KOXSWQSNEBHPAW-UHFFFAOYSA-N	418.291	4.891	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	741739649	BFGJCYOTSUREQP-OOIVEFLKSA-N	424.526	4.604	50	20	HJGD	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NNC(=O)c1ccc2ccccc2c1	746211540	IVFWZGDCPNIAJH-AWEZNQCLSA-N	415.415	4.906	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H]2CCc3ccc(F)cc32)c(C)n1C[C@H]1CCCO1	747879464	OQNJSWHNVCPOSM-IIVGTUKTSA-N	408.473	4.561	50	20	HJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(O)c1)C(=O)Nc1ccccc1Oc1ccccc1	748149074	SUYMBUIKJYOVGS-VBKFSLOCSA-N	401.378	4.638	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)n1	748336053	RRHILGBYIXGRBL-UHFFFAOYSA-N	423.691	4.641	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c1C	749426916	XTBNDJUBGRAQKR-ZHZULCJRSA-N	407.514	4.526	50	20	HJGD	
CCc1nn(C)c(CC)c1C=NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	755571780	DRUMMHCKIGOAJF-OAHLLOKOSA-N	400.592	4.521	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNC(=O)c3cc4ccccc4o3)cc2)cc1	756247905	XWAKFNAOVFFRGY-UHFFFAOYSA-N	412.405	4.563	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cnc1O	757572461	PHFOGUNUHCTOOA-LICLKQGHSA-N	406.873	4.702	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(Oc3ccccc3)nn2)c1C	766073926	SJZABAKQDNHSRG-XSFVSMFZSA-N	416.481	4.748	50	20	HJGD	
Cc1c(NC(=O)[C@@H](Br)C(C)(C)C)cccc1C(=O)Nc1ccccc1	767931701	RTCUNVAVTRPGKS-QGZVFWFLSA-N	403.320	4.995	50	20	HJGD	
CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)CBr	770648701	VEFBWLTYXPMPCV-QWHCGFSZSA-N	409.290	4.775	50	20	HJGD	
C=CCC[C@H](NC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C)c1ccccc1	771955334	SIXLGQYKXKBXFO-IBGZPJMESA-N	420.538	4.770	50	20	HJGD	
COc1ccc(NNC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)nc1	781526983	LUNAQRCSXAZZOZ-UHFFFAOYSA-N	403.360	4.658	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H](CCO)c1ccccc1Br	782063130	WNUJCCCZSCVQBR-BBRMVZONSA-N	418.422	4.703	50	20	HJGD	
O=C(Nc1cc(-c2ccccc2)ns1)C(=O)NN(c1ccccc1)c1ccccc1	782822342	UZNMNCMICLYMOW-UHFFFAOYSA-N	414.490	4.618	50	20	HJGD	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	787268391	VRBTXLFYXHEEDS-WOJGMQOQSA-N	418.424	4.665	50	20	HJGD	
C[C@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccc(Br)cn1	793412787	KFLOANVNJVAMKJ-ZETCQYMHSA-N	422.085	4.677	50	20	HJGD	
COc1cc(OC)c(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c(OC)c1	794702730	PMZYBSSQBWSFBO-SDQBBNPISA-N	409.335	4.660	50	20	HJGD	
O=C(NN=Cc1sc(Nc2ccccc2)nc1Cl)c1cc(-c2ccccc2)on1	794780843	HHZLYDHHWMCYDC-UHFFFAOYSA-N	423.885	4.959	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)C2CCOCC2)ccc1OCc1ccc(Cl)cc1	794958433	LHFUPYIWJHZTBD-XDHOZWIPSA-N	411.885	4.830	50	20	HJGD	
Cc1nc(SC(F)(F)F)sc1CC(=O)NNc1ccccc1C(F)(F)F	798157132	UWNKMHQQCQHVPX-UHFFFAOYSA-N	415.384	4.768	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccccc3C)no2)c1C	801068497	QIMHSYRTMVBUFI-MOSHPQCFSA-N	418.497	4.914	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)[C@@H]1CCC[C@H]2CCCC[C@H]21	806864056	BJEFYODDYITWQO-RBSFLKMASA-N	419.451	4.607	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(C)c(C)c2)c1C	855634657	NMKKIDRGNHZIHP-UOIFGXKSSA-N	407.514	4.609	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(Oc3ccccc3)cc2)cc1	914886369	AKTCNNZPUVHGBW-HMMYKYKNSA-N	413.429	4.821	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(Cc3ccccc3)no2)c1C	915380216	MCNHGZAMPUJGSK-STZFKDTASA-N	418.497	4.529	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1	915843046	KICXCNVMJFHRGT-VBKFSLOCSA-N	409.417	4.882	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccco3)cs2)c(C)n1C[C@H]1CCCO1	916056371	GICAUPIFPRZBJD-DAIOKFOQSA-N	422.510	4.546	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2c(F)cccc2F)c(C)n1C[C@@H]1CCCO1	918952825	LLWRUNGMXIEFOI-GHXXYLLISA-N	414.452	4.774	50	20	HJGD	
Cc1c(/C=C(\C#N)c2nnc(-c3ccc(OCCC(C)C)cc3)o2)cc(C#N)n1C	1257758616	HFVZQENMVKUESD-YBFXNURJSA-N	401.470	4.744	50	20	HJGD	
COc1ccc(C(=O)NNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	1320228308	QAJKCXOQXAYVIO-UHFFFAOYSA-N	411.352	4.819	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1-c1nnc(/C(C#N)=C/c2cc(C#N)n(C)c2C)o1	1328364126	IYBPAFHOESZTJH-RQZCQDPDSA-N	412.478	4.751	50	20	HJGD	
CC[C@@H](C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccccc1	1788582478	HEDAMAANYGBYBU-MOPGFXCFSA-N	402.897	4.849	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3c(F)cccc3F)CCC2)cc1	1790488386	CHYOQLNDEQJTJW-KRWDZBQOSA-N	420.887	4.659	50	20	HJGD	
C[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)C3(C)CCCCC3)CCC2)cc1	1791435824	LBCKRYGPRUAXGM-OAHLLOKOSA-N	421.379	4.874	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3)cc2C)c1C	302901885	YOVKCKNGLKSOEJ-MAGMUUGSSA-N	420.557	4.767	50	20	HJGD	
O=C(NCc1cccc(COc2ccccc2)c1)NNc1ccc(OC(F)F)cc1	726709666	WIYMRIXIYVGUQV-UHFFFAOYSA-N	413.424	4.693	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)c1cc(F)ccc1Br	728436016	KOEWIOICZZYXDD-UHFFFAOYSA-N	405.198	4.751	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1	729273164	IUKPPKDQJSUUOT-UHFFFAOYSA-N	418.884	4.958	50	20	HJGD	
CCOc1ccc(CC(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1	731477844	PBYFOJJSUJYXOO-UHFFFAOYSA-N	417.225	4.552	50	20	HJGD	
COc1ccc(CCC(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1	731477876	QAJRURMIJDBAHJ-UHFFFAOYSA-N	417.225	4.552	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)c1ccccc1	731931296	DSXSAJXRUONGLB-QHCPKHFHSA-N	415.493	4.591	50	20	HJGD	
Cc1cc(C=NNC(=O)Cc2cccnc2)cc(C)c1OCc1ccccc1Cl	734748103	HKBZZZAPCSTEEV-UHFFFAOYSA-N	407.901	4.624	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cnn(-c3ccccn3)c2)c(C)n1C1CCCCC1	739657275	NGZFMANEZOZNQJ-MOSHPQCFSA-N	414.513	4.737	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)Cc1c[nH]c2ccc(Cl)cc12	740082350	PGWMCWCUAGSMMQ-UHFFFAOYSA-N	400.935	4.505	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)c(C)c2)c1C	741620173	SXFSIVZKIZTJDC-AGKWGAAGSA-N	409.530	4.954	50	20	HJGD	
CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	746425311	HUBBDOURCPNRRJ-OAQYLSRUSA-N	422.529	4.688	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2ccc(F)cc2Br)cc1OC	748074188	TXWJGYQVEVTILC-UHFFFAOYSA-N	411.271	4.533	50	20	HJGD	
CC(=O)[C@@H](C)SCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	748651900	VMGPKPJZZLYWBR-OAHLLOKOSA-N	408.445	4.783	50	20	HJGD	
Cc1c(NNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cccc1[N+](=O)[O-]	748673721	PAQGNFZWQKXCTN-CABCVRRESA-N	408.483	4.706	50	20	HJGD	
CN1CCN(c2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2Cl)CC1	749227175	XVTHMISMHXPVKL-INIZCTEOSA-N	414.040	4.744	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(OC(C)C)cc2)c1C	749278597	UAORVIMLMNTZNU-BKUYFWCQSA-N	408.498	4.635	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cnc(-c3cccs3)s2)cc1	751513930	UBOJACFQJXFUDV-GXDHUFHOSA-N	409.492	4.594	50	20	HJGD	
CCCc1c(C(=O)NNc2cccc(C(F)(F)F)c2)cnn1-c1cccc(F)c1	752627284	VSEMUXQDVNTEIC-UHFFFAOYSA-N	406.383	4.740	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1	757772752	ABXPTPQMEMBGKH-UHFFFAOYSA-N	408.889	4.723	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3ccccc3C(F)(F)F)s2)cc1OC	766329772	YCQYFLCORMBKHL-UHFFFAOYSA-N	423.416	4.603	50	20	HJGD	
CCS[C@H](C)c1noc(COC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)n1	767262174	HROZYMBXGOGFEN-BZMUBCNJSA-N	416.547	4.608	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cncc(Br)c2)c(C)n1CC(F)(F)F	767351820	LKBOQPFMEZITCA-YIXHJXPBSA-N	412.209	4.615	50	20	HJGD	
COCCOc1ccc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1	769845326	CYXOSTPAYPPZRN-HGNXGAGXSA-N	412.536	4.714	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)NNc2c(F)cccc2Cl)c(C(F)(F)F)c1	771103470	HCXPTCNQSLBIPD-UHFFFAOYSA-N	404.751	4.605	50	20	HJGD	
CCOc1c(Cl)cc(NC(=O)NNc2ccnc(Br)c2)cc1Cl	771208470	UKKKDVYFFPSDFI-UHFFFAOYSA-N	420.094	4.698	50	20	HJGD	
O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1cscc1Cl	771871292	LYGJDCLOHIJVTE-UHFFFAOYSA-N	400.887	4.510	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)C2CCCC2)ccc1OCc1ccc(C(=O)OC)o1	781553549	ATPNXWXFWYXUNU-LDADJPATSA-N	423.465	4.710	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)c(C)c1	783369985	SAZKEKBISOVHSC-UHFFFAOYSA-N	424.888	4.534	50	20	HJGD	
CCOc1ccc(-c2nc(C(=O)NNc3ccc(Cl)c(OC)c3)cs2)cc1	790168248	HWGSUQSHJJJHPX-UHFFFAOYSA-N	403.891	4.628	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H](Sc1ccc(F)cc1)c1ccccc1	791064131	QYQWAXLZTVBWAL-LJQANCHMSA-N	415.421	4.850	50	20	HJGD	
N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	792587005	LUUKTJIKVVEPPY-MOPGFXCFSA-N	424.035	4.763	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)O[C@H]2C=CCCCCC2)c(-c2ccccc2)n1	793398364	IYRZWJHMVHFPHL-QLKRYEJRSA-N	400.482	4.803	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cc(Br)ccc1Br	799756862	KHIOQCATOOFUIR-UHFFFAOYSA-N	412.125	4.839	50	20	HJGD	
CCc1cc(C(=O)NNc2ncc(Cl)cc2Cl)c2c(CC(C)(C)C)noc2n1	800539909	QYTFIDXBEDSYAN-UHFFFAOYSA-N	422.316	4.833	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cc(-c2cccs2)nc2ccccc12	803432492	HXIGEUXQKCLWCR-UHFFFAOYSA-N	412.474	4.562	50	20	HJGD	
CCc1sc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1C	804206920	VJBZDSYNSWPYQI-UHFFFAOYSA-N	406.433	4.852	50	20	HJGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211087	LPYBCGFRJSOBOQ-GJZGRUSLSA-N	418.444	4.779	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](c2ccccc2)C2CC2)c(C)n1C[C@H]1CCCO1	817089446	HFSPLGRERLESGB-GCZWKDJSSA-N	417.553	4.501	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1C	841939636	RQLCVXWYLQTBOE-RGEXLXHISA-N	416.481	4.906	50	20	HJGD	
Cc1nc2ccccc2nc1COC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	849205819	SBRUXBXYJSAMNP-JAIQZWGSSA-N	402.498	4.663	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)Cc1ccc2ccccc2c1	915975571	DTXDBMFCTWFXJB-UHFFFAOYSA-N	420.875	4.819	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C[C@H](C)c3ccccc3)cc2)n1	916293931	OITYSTQQBVXBDW-INIZCTEOSA-N	404.539	4.905	50	20	HJGD	
CCOc1cccc(C=NNC(=O)c2cc3c(s2)CCCCC3)c1OC(F)F	916369441	FULZLBZFRJOYEN-UHFFFAOYSA-N	408.470	4.781	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](c2ccccc2)C2CCCCC2)c2ccccc2n1	916638421	FOYLSYGVCRWUTI-HSZRJFAPSA-N	416.525	4.809	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCCOC)cc2C)c1C	917743640	DOYMECICIPDYHK-RCCKNPSSSA-N	409.530	4.784	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4cccnc34)cc2)CCC1	1788913067	JORWTWZMADCGOL-HXUWFJFHSA-N	421.928	5.000	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(F)CC1)C2	1800012200	KFFDOMRXADRDIN-REPLKXPHSA-N	414.993	4.876	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(Cl)c2)n[nH]1	1814590638	RMABRDSJKHUUED-RHSMWYFYSA-N	423.344	4.695	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1	1817827133	SBGQYWYAQUTJPA-JSGCOSHPSA-N	420.922	4.541	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1	1845735391	BMDDBXUUSJNSLH-IBGZPJMESA-N	424.928	4.811	50	20	HJGD	
CC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C	21137062	LTBUWYWRGOUUCB-VIZOYTHASA-N	424.806	4.806	50	20	HJGD	
O=C(NCCC(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(Cl)cc1	24632824	BYTNXYTVDPTEDZ-UHFFFAOYSA-N	407.901	4.506	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	63276614	HKQDVWQKOKOXGM-WJDWOHSUSA-N	411.421	4.575	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(Cc3ccccc3)CC2)c1C	105624762	PANWWBFJDUFULC-WYRWUVFZSA-N	419.569	4.701	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1C	255939256	NPEGOSPDYZTQOW-PGMHBOJBSA-N	418.541	4.687	50	20	HJGD	
COc1ccc(CNC(=O)NNc2ccccc2C(F)(F)F)c(C(F)(F)F)c1	726710977	BLPDPFYFNRJFBL-UHFFFAOYSA-N	407.314	4.559	50	20	HJGD	
CC[C@](C)(NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccccc1	730762133	VAWOSYAIKJRWSA-BULGVLKTSA-N	405.542	4.633	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)c1C	733248785	MFVZTEPONUDCFB-GNLNAMTISA-N	419.569	4.761	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c(OC(F)F)c1	734096718	QUMAMCUSYBKREA-XYOKQWHBSA-N	412.314	4.861	50	20	HJGD	
Cc1ccc(-c2nc(C(=O)Oc3ccc([N+](=O)[O-])cc3Br)cs2)o1	739301023	KOVCNCOBSVNRGU-UHFFFAOYSA-N	409.217	4.601	50	20	HJGD	
Cc1onc(-c2ccccc2)c1C(=O)Oc1ccc([N+](=O)[O-])cc1Br	739311372	MUHBBDAROPBTRI-UHFFFAOYSA-N	403.188	4.540	50	20	HJGD	
CCCCCC[C@@H](C)C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	743334705	NCQQTFKRPSWZFI-QGZVFWFLSA-N	403.548	4.537	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)c1	743820773	PWFXPZDYGTVCEY-FQEVSTJZSA-N	421.541	4.868	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCc3c(NC(C)=O)cccc32)c1C	743833017	NRTCPEREWGZDHS-RCCKNPSSSA-N	418.541	4.750	50	20	HJGD	
Cc1ccc(CCCNC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c(C)c1	744470173	PSNJSMVNQXTCGF-JCHYSQADSA-N	419.569	4.557	50	20	HJGD	
CN(C)c1ccc(NC(=O)NNC(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc1	745795034	AGDICXBETFNNDS-QFIPXVFZSA-N	423.561	4.800	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2ccccc2F)c1	748049330	QRMYUZHDTKANRG-UHFFFAOYSA-N	404.420	4.883	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1Oc1cccnc1	748701561	LMAQZKPVCUEHCM-UHFFFAOYSA-N	403.360	4.572	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccc(NC(=O)c2ccncc2)cc1	749226893	CVCCKUYHUMMLMU-LJQANCHMSA-N	415.584	4.664	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cc(C2CC2)nc2ccc(Cl)cc12	755854895	OUWPLZCBROZMJV-UHFFFAOYSA-N	412.824	4.998	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)cc1NC(=O)C(C)(C)C	756539378	MQMZAFOBGAOTJI-UHFFFAOYSA-N	418.497	4.599	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1sccc1Br	764897482	RHHJLOSJHQNBNE-UHFFFAOYSA-N	415.312	4.707	50	20	HJGD	
N#C/C(=C\c1cc(F)c(F)cc1F)c1nc(O)c2cc(Br)ccc2n1	767717914	PKMVXZLAQCJLFY-YCRREMRBSA-N	406.161	4.579	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccc(C)c(C)c3)cc2F)c([N+](=O)[O-])c1	768327761	JLGKCWZNJRQXNT-UHFFFAOYSA-N	409.417	4.783	50	20	HJGD	
Cc1ccc2nc(COc3ccc(C(=O)NNc4c(F)cccc4Cl)cc3)cn2c1	770299666	NZVJYGSOVQNUEA-UHFFFAOYSA-N	424.863	4.771	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)NNc1ccnc(Br)c1	771193495	IFBNMKPVDAYHTP-UHFFFAOYSA-N	407.312	4.698	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCO2)C(=O)c1ccc(Cl)cc1F	773148193	CVKIDSZDWOGYBR-VZUCSPMQSA-N	422.637	4.803	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2cnc3ccccc3n2)c(C)n1C1CCCCC1	774786191	SRJDPGQETKBBFN-CPNJWEJPSA-N	414.513	4.604	50	20	HJGD	
CCCc1noc2nc(C3CC3)cc(C(=O)NNc3ncc(Cl)cc3Cl)c12	775269253	BTSKXDJDNXZBNL-UHFFFAOYSA-N	406.273	4.511	50	20	HJGD	
O=C(CCCc1ccc2ccccc2c1)NNC(=O)Nc1ccc(OC(F)F)cc1	775792497	KQIKHQAQSQWRLY-UHFFFAOYSA-N	413.424	4.617	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)c(Br)cc1O	776256881	GZBLIJAQGMSAAY-SDQBBNPISA-N	424.197	4.555	50	20	HJGD	
CCc1cnc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)s1	777984596	VWLWKVVQELAXIF-UHFFFAOYSA-N	408.439	4.841	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)NCc2ccc(-c3ccccc3)c(C)c2)c2ccccc2n1	779679673	JWKCTJASBUKOND-UHFFFAOYSA-N	424.504	4.663	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2ccc(C(C)(C)C)cc2)c(C)n1C[C@@H]1CCCO1	780805820	BYRVQDMQEBWFNE-YSSBIZNGSA-N	420.557	4.632	50	20	HJGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NNc1nc2ccccc2s1	782813078	HABLVGFVOUWXFN-UHFFFAOYSA-N	414.556	4.577	50	20	HJGD	
COC[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccco1	782979087	GXMDGFQFCSKULF-LBPRGKRZSA-N	407.382	4.603	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	787509844	INEQACOBSWFVJV-ONOODXEBSA-N	414.305	4.738	50	20	HJGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)C(=O)Nc1ccc(C2CCC2)cc1	787574504	DJUGQPGJTWHLCF-UHFFFAOYSA-N	408.889	4.546	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3cccc(F)c3)cs2)c1C	790459029	VGINRYNWZIMJAQ-ZDLGFXPLSA-N	424.501	4.560	50	20	HJGD	
Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)NNc2nc3ccccn3n2)c1	791243031	XCBRGIUTHVEZBT-UHFFFAOYSA-N	409.902	4.599	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(C(=O)c2cccc(O)c2)cc1	791721119	XCZUVUXQGVSKPE-UHFFFAOYSA-N	401.249	4.687	50	20	HJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3cc(F)c(F)c(F)c3)s2)cc1	792268078	WBRMDCILBYGJCJ-UHFFFAOYSA-N	421.444	4.945	50	20	HJGD	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)c1ccccc1	797401716	LYIYLAGYABXMDD-UHFFFAOYSA-N	418.280	4.847	50	20	HJGD	
CCOC(=O)/C(=C/c1cccc(CCl)c1)c1nc(O)c2c(C)c(C)sc2n1	799890777	XXYCTCGQKKOKMF-OQLLNIDSSA-N	402.903	4.856	50	20	HJGD	
N#C/C(=C\c1c(Br)cncc1Br)c1nc2ccccc2[nH]1	806565189	JPLGLVUQVPYSJZ-WEVVVXLNSA-N	404.065	4.547	50	20	HJGD	
COc1ccncc1CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	814540238	QTPAFLDZBLILHS-CQSZACIVSA-N	405.829	4.631	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1	916978064	CYYUDBFQQSLZQE-UHFFFAOYSA-N	415.287	4.995	50	20	HJGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918558815	HZTVJKMFSICGFH-HNNXBMFYSA-N	404.797	4.995	50	20	HJGD	
O=C(CCOc1ccccc1-c1ccccc1)NNC(=O)c1ccc2ccccc2c1	918623093	ZRFMLBBLUSPKPI-UHFFFAOYSA-N	410.473	4.737	50	20	HJGD	
CC(C)OCc1c(C(=O)NNC(=O)c2ccc3ccccc3c2)oc2ccccc12	918623958	BMLPCAMSOSQIMK-UHFFFAOYSA-N	402.450	4.586	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2cccc(C(=O)O)c2)c1)c1cnc2ccccc2n1	1116760819	RKEFVYLVIAVCDC-JAIQZWGSSA-N	407.429	4.971	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc3ccc(C)cc3nc2Cl)cc1	1324407569	JQXCPKBJUPPSGB-VUFYJBQKSA-N	405.885	4.990	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(CCCc3ccccc3)o2)c(C)n1C[C@H]1CCCO1	1328432930	JRYGENJUCCTGGG-VKIDYWOHSA-N	416.525	4.906	50	20	HJGD	
C[C@@H](CBr)C(=O)Nc1ccc(C2(NC(=O)C3CC(C)(C)C3)CCC2)cc1	1786072415	UTMOJYGBCHMREA-AWEZNQCLSA-N	421.379	4.588	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)s1	1787282983	BDIKLSUJFMMAII-UHFFFAOYSA-N	416.619	4.656	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4c[nH]nc4c3)cc2)CCC1	1788448480	BXQMXMGJJKXYNT-IBGZPJMESA-N	424.932	4.718	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CCC(=O)c1ccc2ccccc2c1	7258364	OQKNFWACUYUYBL-UHFFFAOYSA-N	419.550	4.691	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)C(C)C)c(C)n1C[C@H]1CCCO1	26796759	AMJWZSPLKJXQML-SBSHEFHTSA-N	405.542	4.704	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1	727716166	CLHAQFNYHTXFHG-CAPFRKAQSA-N	408.498	4.598	50	20	HJGD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3cccnc3Cl)c2C)cc1	728696574	WOABZDZOZZVXBR-PDGQHHTCSA-N	419.868	4.719	50	20	HJGD	
Cc1cc(C)cc([C@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1	730553986	UMZCACXPTOSKDL-VRMLFSPKSA-N	423.520	4.865	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNc1ccc(Br)cc1C(F)(F)F	731479112	UVZKWENVJCSRNW-UHFFFAOYSA-N	412.209	4.635	50	20	HJGD	
CC[C@H](C(=O)NNC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1	731941548	UTZLWHATYAGQQH-NRFANRHFSA-N	405.523	4.990	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NNc1cc(F)c(F)cc1F	734551907	HKVGEAGAXMDZDE-UHFFFAOYSA-N	423.391	4.622	50	20	HJGD	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NNC(=O)CCCc1ccccc1	736662937	YVSIKLXTTMINHR-OAQYLSRUSA-N	421.566	4.694	50	20	HJGD	
O=C(CCCOc1cccc(Cl)c1Cl)NNc1cccc(C(F)(F)F)n1	740136338	NDMNZWHMSUQFMK-UHFFFAOYSA-N	408.207	4.710	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)Nc1ccccc1F	740764139	MCKXSTGEAZKQIU-GZTJUZNOSA-N	408.864	4.886	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1CSc1nc2ccccc2[nH]1	747987283	HKZREQMFHCDIQY-UHFFFAOYSA-N	419.466	4.520	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cccc(C#N)c2)cc1C	748030325	BSGZUWNMXQAGRK-UHFFFAOYSA-N	407.477	4.785	50	20	HJGD	
Cc1nc(-c2cccs2)c(CC(=O)NNc2cccc(Br)c2)s1	748032280	GMSJUOWTWXYPAV-UHFFFAOYSA-N	408.346	4.628	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1	748667211	JUFBXEKREPKELE-HZPDHXFCSA-N	424.570	4.645	50	20	HJGD	
Cc1c(NNC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)cccc1[N+](=O)[O-]	748681099	NDXKHDSLLAGOHI-UHFFFAOYSA-N	421.413	4.580	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)N[C@H](c1nc(C)cs1)C1CC1	753195472	IHCWEDFXGMXORP-HNNXBMFYSA-N	409.353	4.554	50	20	HJGD	
CCOc1ccc(C(=O)NN=C2CCC(O)(c3ccc(C(C)C)cc3)CC2)cc1OC	753924361	VVOBLIMFGFCADY-UHFFFAOYSA-N	424.541	4.765	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	756200576	JRKAUSMPWVFPHA-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1	756244796	FZRYQGOPLSUYCG-JOCHJYFZSA-N	414.465	4.697	50	20	HJGD	
CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(CCCl)cc2)c1	763434785	UJJSGBIMPSBUNE-UHFFFAOYSA-N	415.342	4.661	50	20	HJGD	
COC(=O)C[C@@]1(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCOC1	771194309	NRLPMHLEKGSRNU-HNNXBMFYSA-N	418.384	4.578	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cnn(-c3ccccc3F)c2C)c1C	772142659	DWXGEPFZVOWCDS-UNOMPAQXSA-N	405.477	4.694	50	20	HJGD	
CN(CCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1	772859336	BFTRBVHXTPSVMP-UHFFFAOYSA-N	423.407	4.535	50	20	HJGD	
C[C@H](CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1nccs1	773508256	DNULXKZVMIKWLL-SECBINFHSA-N	415.409	4.659	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1	773766219	KWAGGZUCZOCIQN-MRXNPFEDSA-N	423.900	4.870	50	20	HJGD	
CC[C@@H](OC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)c1ccc(Br)cc1	782628746	YNULYAOQNOOREQ-VPEZWSJASA-N	412.287	4.569	50	20	HJGD	
C[C@H]1C[C@H](CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO1	784419614	ZYHAWBPBOSLHBO-NWDGAFQWSA-N	409.442	4.828	50	20	HJGD	
CN(Cc1ncnn1CC(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	785953868	YJCULLISGAVJMK-UHFFFAOYSA-N	421.342	4.865	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC2(CCOCC2)CC1	790444363	AIWSFGZKSHOKDL-UHFFFAOYSA-N	421.453	4.925	50	20	HJGD	
CSc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	798733618	VFKUEFLVHVFONJ-IFRPTODNSA-N	423.582	4.790	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc2cc(Br)ccc2c1	805382919	XFKCYIOAVGYZHL-UHFFFAOYSA-N	400.232	4.576	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1NCc1ccccc1Cl	807507712	RTISKOKDRVRTLP-UHFFFAOYSA-N	418.884	4.551	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cnn(CC(C)C)c2C2CC2)c1C	807725347	RIIOQRUULLQBGX-HQOKVJKCSA-N	423.561	4.588	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cncc(Cl)c2Br)c1C	808873018	GHULHCNINDCMPW-AUWJEWJLSA-N	421.726	4.872	50	20	HJGD	
CCCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	810491081	YPAWIQHEEYTWCH-GFCCVEGCSA-N	417.444	4.519	50	20	HJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cn(-c3ccccc3Br)nn2)s1	811691952	VJSJHKPCBAYCDX-WQLSENKSSA-N	414.332	4.848	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)c(C(F)F)n1	812242545	WUMSCQKQHSZKHX-UXBLZVDNSA-N	419.844	4.680	50	20	HJGD	
CCc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	855283005	RFIJMRBMCJFSFA-UUMRFZBWSA-N	421.541	4.801	50	20	HJGD	
COc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1N1CCCCC1=O	915296685	RFIFHJNHKOECGW-MRXNPFEDSA-N	408.589	4.865	50	20	HJGD	
CC(=O)Nc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)ccc1C	915726825	BOJUDUBKWVWKGQ-MTJSOVHGSA-N	406.530	4.964	50	20	HJGD	
N#C/C(=C/c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1)C(=O)Nc1ccccc1	915843852	KYIQRJYQWPZZJD-BMJUYKDLSA-N	418.456	4.778	50	20	HJGD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3ccc(C#N)cc3)c2C)cc1	915855389	AMLIYSOPBGGUKS-BKUYFWCQSA-N	409.445	4.542	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N(C)[C@@H](C)c2ccccc2)c1C	917233436	UZQAOACVFWWKMM-MIDMBNTASA-N	421.541	4.575	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)nn1	1251943846	RXBUDRFGAZNYOT-UHFFFAOYSA-N	413.481	4.853	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2cn(Cc3ccccc3)nc2-c2cccc(C)c2)cc1	1317705615	KOSQLIQTFKORCL-UHFFFAOYSA-N	424.504	4.679	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)c(C)n3)CCC2)cc1	1786443310	FFTDKUBBYNEFPQ-LJQANCHMSA-N	413.949	4.854	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cnc3Cl)cc2)CCC1	1787568479	ZWHIUFJKESOSQW-QGZVFWFLSA-N	420.340	4.809	50	20	HJGD	
CCCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](Cl)CC)CC2)cc1	1830105165	BJTJIPBTKKTXDT-VXKWHMMOSA-N	419.009	4.890	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC#N)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	9395416	CJORMECKAJQPRI-RIYZIHGNSA-N	407.779	4.740	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Br)ccc2OC)c1C	108398849	RFOQSOGZOSVJMY-YBEGLDIGSA-N	416.319	4.832	50	20	HJGD	
Cc1nonc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	727712944	SMTSWJQGXHHRJS-RIYZIHGNSA-N	416.268	4.638	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	728176314	SHFOAPTYLHDIGW-ZSOIEALJSA-N	400.335	4.576	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	730289093	UJFSQRXBQHLRIW-JOCHJYFZSA-N	421.472	4.912	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(-c2ccc(OC)cc2F)cc1F)c1ccccc1	731998790	CFKNMASXCGHTCV-GOSISDBHSA-N	424.447	4.595	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccn(-c3ccncc3)n2)c1C	733769770	OGGCRNBOIGTUBO-QNGOZBTKSA-N	422.492	4.529	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1)c1ccc(Cl)s1	734068392	GAGUCHXOPHKSHX-INIZCTEOSA-N	423.966	4.922	50	20	HJGD	
COc1ccc(OCc2ccccn2)c(C=NNC(=O)c2cccc3ccccc23)c1	741462703	LNORJCGRQSQYPM-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c1C	741974760	YQWLJRVPGNBOQC-BSRPYIPMSA-N	419.569	4.872	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3nnc(C)o3)c2)c1C	741987305	MKVQXLODTUZWOE-UDWIEESQSA-N	403.486	4.809	50	20	HJGD	
CCCC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccc(Cl)c(Cl)c1	746679160	MPGWIAKOBRYCIK-UHFFFAOYSA-N	403.269	4.576	50	20	HJGD	
O=C(NCCOc1ncccc1F)Nc1ccccc1S[C@H](Cl)C(F)(F)F	747215600	XPSGZYGSPJKFHR-AWEZNQCLSA-N	423.819	4.641	50	20	HJGD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NNc2ccc(Cl)cc2Cl)cc1	748008588	YWPQENBKSVFAHI-LBPRGKRZSA-N	412.342	4.505	50	20	HJGD	
O=C(CSCC(=O)c1ccc(Cl)cc1)NNc1ccc(Cl)cc1Cl	748008685	RVXGSXLRVKNOFO-UHFFFAOYSA-N	403.718	4.706	50	20	HJGD	
Cc1noc(C)c1COc1ccc(CC(=O)NNc2ccc(Cl)cc2Cl)cc1	748012848	VVVDVGNCCIKKHX-UHFFFAOYSA-N	420.296	4.863	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)n1	748338242	CTKZBRISIJFKTE-UHFFFAOYSA-N	417.900	4.648	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccn(-c2ccc(OC)cc2)n1	748674605	WBYVEQZNBRTZGF-UHFFFAOYSA-N	406.511	4.831	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	748797706	WIXPPSYMGXDZDF-UHFFFAOYSA-N	419.384	4.920	50	20	HJGD	
COc1ccccc1CC(=O)NN=Cc1c(C(C)(C)C)nn(-c2ccccc2)c1Cl	758115610	GPDXUWQWYGVTQB-UHFFFAOYSA-N	424.932	4.525	50	20	HJGD	
Cc1noc(C)c1[C@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762662211	OFBSFIGCTHRTHC-QMMMGPOBSA-N	413.368	4.765	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@H]1CCOC2(CCC2)C1	762665913	COLLMUHYVOYSKY-LBPRGKRZSA-N	414.396	4.500	50	20	HJGD	
Cc1noc2ncc(S(=O)(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)cc12	766547108	HNWHBZUMNBCCRM-UHFFFAOYSA-N	415.365	4.989	50	20	HJGD	
CCO/C=C(/C#N)C(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1	771385089	QHHIMTXFPVYFEL-RYBIEJRYSA-N	422.378	4.525	50	20	HJGD	
O=C(NNc1c(F)cccc1F)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	775547415	OPGCBFCSMORMBG-UHFFFAOYSA-N	422.863	4.829	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(n2ccc(C(F)(F)F)n2)CC1	778698263	JSVJOKKTKGNYDF-CQSZACIVSA-N	407.527	4.780	50	20	HJGD	
C[C@H]1CCCN(C[C@H](C)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	788912991	MUSLSMGHUJSSOA-STQMWFEESA-N	422.485	4.743	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3)cc2C)c1C	790130863	YOVKCKNGLKSOEJ-KWJZBXMYSA-N	420.557	4.767	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H]2CCCc3ccccc32)c1C	790158988	ZTRTZJMEBMLDJT-CNSGPVJWSA-N	405.542	4.755	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OC[C@H]2CC3(CCC3)C(=O)O2)c(C)n1C1CCCCC1	791289512	HJVKUNZCOUGWAK-JAORQVBISA-N	410.514	4.546	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1	794954786	OLHFHQMKOPYRTC-UHFFFAOYSA-N	423.904	4.571	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNC(=O)c1c(Cl)cccc1Cl	795071838	AOHRMDRKAIBXOM-UHFFFAOYSA-N	424.671	4.685	50	20	HJGD	
CCCNC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1	797314861	UEIYGILWRPUISS-YVLHZVERSA-N	418.415	4.726	50	20	HJGD	
O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NNC(=O)Nc1ccccc1	801986654	DXMCBNQXKAJPEZ-UHFFFAOYSA-N	416.456	4.760	50	20	HJGD	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NNc1ccc(C(C)(C)C)cc1	802564145	FKEZMXJUXJGCRX-UHFFFAOYSA-N	420.488	4.575	50	20	HJGD	
COc1cc(F)cc(NNC(=O)C(C)(C)c2csc(-c3ccc(F)cc3C)n2)c1	810528478	SSBMUUNVGOJLOX-UHFFFAOYSA-N	417.481	4.826	50	20	HJGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)c1ccc(COc2ccccc2)o1	814216403	KXGZGWSMEWMTAN-OSLRKFFBSA-N	404.466	4.824	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2ccccc2oc1=O	817014450	ITGRMQMHCVBOIM-UHFFFAOYSA-N	416.277	4.588	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1	857493458	AOUQWPNGSDGBDZ-UHFFFAOYSA-N	403.313	4.920	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2noc(-c3cccs3)n2)c(C)n1CCC(C)C	913261670	NCSROHUQLDLNFW-WQRHYEAKSA-N	424.526	4.913	50	20	HJGD	
O=C(NCc1cccc(NC(=O)C2CCC2)c1)NNc1ccc(Cl)cc1Cl	916381729	QOIKEGIVEKPBPQ-UHFFFAOYSA-N	407.301	4.558	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)c(C)n1CC(C)C	917720598	JXUQCLVECYJWDH-UUYOSTAYSA-N	420.557	4.692	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1	918585133	OEVRXYNWOGUWJN-UDIPQKBFSA-N	417.553	4.541	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)cc3)CCC2)cc1	1786446213	ANSMEHJWYXWQHT-IBGZPJMESA-N	400.906	4.547	50	20	HJGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1	36748247	YNBAYBCJEUKINW-LICLKQGHSA-N	417.383	4.929	50	20	HJGD	
CC(C)C(=O)N1CCC(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	97134124	JBRLPQHRABDGTO-KRWDZBQOSA-N	422.900	4.739	50	20	HJGD	
C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)/C(C#N)=C1\Nc2ccccc2S1	104595809	REUKVZUSMDHDFR-IKGJXOFFSA-N	410.520	4.851	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cc(Cl)c3c(c2)OCCO3)c(C)n1CC(F)(F)F	301906073	JPKKHKIMKNITLI-MKMNVTDBSA-N	424.806	4.882	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Sc3nccn3C)cc2)cc1	727646189	OSPQKPPIHILMKZ-SAPNQHFASA-N	404.495	4.516	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)c2c(c1)C[C@@H](C)O2	730436289	HOLCTBPSSSERNX-YRVKEHPISA-N	404.285	4.632	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2c(CC)oc3ccccc23)cc(OCC)c1OCC	730545028	KTXIATYGKVLCLU-UHFFFAOYSA-N	424.497	4.955	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2C)cc(OC)c1OCc1ccccc1	732784775	ULIXDCIDOGULEK-ODLFYWEKSA-N	403.434	4.974	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OC1CCCC1)c1cc(Br)c[nH]1	743434300	VKNVUXSXVFRHGU-UHFFFAOYSA-N	410.699	4.516	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H](c1ccc(Cl)cc1)C1CCC1	743591483	GQYNLBQWRYAQMH-NRFANRHFSA-N	407.901	4.979	50	20	HJGD	
N#Cc1ccc(NNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1C(F)(F)F	746893318	KIFCRDXXJWARNX-HNNXBMFYSA-N	401.310	4.756	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1cc(C)ccc1C)c1ccc(C(F)(F)F)cc1	748360359	TZKLRKACOVCRSU-SDNWHVSQSA-N	407.461	4.743	50	20	HJGD	
Cc1nc(-c2cccs2)c(CC(=O)NNc2ccc(Br)cc2C)s1	748750735	NKPJSCTYWSHMDX-UHFFFAOYSA-N	422.373	4.937	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1ccccc1C(F)(F)F	748822062	VYJPBONRQQTXQG-UHFFFAOYSA-N	420.416	4.604	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)cc(C)c1OCc1cccnc1	755856493	XHSCJGHSIIDTLN-UHFFFAOYSA-N	422.432	4.510	50	20	HJGD	
CSc1cc(Br)ccc1C=NNC(=O)c1cc(C)nc2ccccc12	755879544	LVGKOTXPUHSDNS-UHFFFAOYSA-N	414.328	4.792	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1	758915043	QLLKNQSGXWGGMN-JJBLJPBOSA-N	403.438	4.573	50	20	HJGD	
C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C(=O)c2ccccc2)c1	762003016	MUQTYMHOUVFUPN-AWEZNQCLSA-N	423.856	4.726	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1	763075521	FKBMTBMXBZLUMF-LDADJPATSA-N	421.884	4.926	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc(Br)c1OC	764890973	HETYQUDFEDAFQN-CXUHLZMHSA-N	400.272	4.955	50	20	HJGD	
COc1cc(C(=O)NNc2ncnc3ccsc23)cc(Cl)c1OCCC(C)C	766674898	CFQYIEDQCWEXEP-UHFFFAOYSA-N	420.922	4.535	50	20	HJGD	
C[C@H](OC(=O)[C@@H](Br)C(C)(C)C)C(=O)Nc1cccc(Cl)c1Cl	766751796	NKDGJHRAAQVKOD-QPUJVOFHSA-N	411.123	4.673	50	20	HJGD	
N#C/C(=C/c1ccccc1OC(F)(F)F)C(=O)Nc1nc(-c2ccncc2)cs1	767918867	ZONGJWHZXNSYIB-ZROIWOOFSA-N	416.384	4.649	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1ccc(C(F)(F)F)cn1	775248246	UDJKNDMIRXXAAT-UHFFFAOYSA-N	420.460	4.948	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(c3ccsc3)CC2)c(C)n1C[C@H]1CCCO1	777085433	GKSFHJJZVKZSAD-ZWULCIMOSA-N	423.582	4.659	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1cc(Cl)ccn1	778451692	PWXJLMGGXCQIPS-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(OCCBr)c(Cl)c2)cc1	781552979	HAAMWNKPRGZKCN-KRXBUXKQSA-N	422.706	4.968	50	20	HJGD	
CO[C@@H](C)c1nc(COC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cs1	782069597	IUQQBBMTURHGMR-PKXKBNNOSA-N	401.532	4.575	50	20	HJGD	
CC(C)Sc1n[nH]c(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1	782934882	WBRSSYCSIVPVKZ-UHFFFAOYSA-N	424.442	4.763	50	20	HJGD	
Cc1cc(F)ccc1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783465414	NZQXXYQPLZGGST-UHFFFAOYSA-N	419.368	4.910	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1cccc(OCc2ccccn2)c1	785356534	XIKMBMFUYBVTTN-IZQLPPHKSA-N	401.441	4.584	50	20	HJGD	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)NNc1ccc(F)cc1	792943635	VUFVAJOTZNCIKE-UHFFFAOYSA-N	404.239	4.563	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccc(F)cc1Br	795191495	GBTNMIDGJLMKQK-UHFFFAOYSA-N	424.657	4.962	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1	797769501	GLXQGVCZGDHSSV-DQXUBXGMSA-N	415.262	4.564	50	20	HJGD	
CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)CCCC[C@@H]1CCSS1	800689954	UXTCCFNQMMKMTQ-ZBFHGGJFSA-N	413.630	4.841	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cn1	812244922	KOMSWJMOWVMNHB-MOSHPQCFSA-N	407.433	4.966	50	20	HJGD	
C[C@H]1CC(=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC[C@@H]1C(=O)O	814714149	SXHQKXQBONTZHK-KSSFIOAISA-N	419.456	4.648	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)cc1	817915832	VFGNDWJPDSYIDM-UHFFFAOYSA-N	405.285	4.643	50	20	HJGD	
Cc1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	849205937	SRZGSLZWLRPSHT-VFAFIFLJSA-N	407.514	4.547	50	20	HJGD	
CCCCCC/C(C=NNC(=O)c1cccc(S(C)(=O)=O)c1)=C\c1ccccc1	915051293	CJWXPSXQLALGCA-SZCOTSLQSA-N	412.555	4.860	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCc2ccc3ccccc3c2)c1C	915198782	XONUXRGLJPJMKU-QETRNLNESA-N	415.537	4.731	50	20	HJGD	
O=C(Cn1cnc2ccccc21)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	916274579	VKDCMQDSTZFEKF-UHFFFAOYSA-N	413.264	4.753	50	20	HJGD	
COc1ccccc1C(C)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	916295330	PZHHAOKFHMKDHO-UHFFFAOYSA-N	420.538	4.548	50	20	HJGD	
CCOc1ccccc1OCC(=O)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	916302002	HDJSOFCRPUYJEI-UHFFFAOYSA-N	413.477	4.763	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c(C)n1CC(C)C	917844043	OIXBAQFNTSEJQI-AQKAPXDHSA-N	423.532	4.844	50	20	HJGD	
O=Cc1cccc(OCc2cccc(C(=O)NNc3cccc4c3CCCC4)c2)c1	1116344335	VJVITJHVPYWWML-UHFFFAOYSA-N	400.478	4.714	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(Cl)c3)CCC2)cc1	1786011221	ADUMYKJQEONLRA-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(Cl)c3)CCC2)cc1	1786444506	UNTGZFPUQFTQER-KRWDZBQOSA-N	420.340	4.890	50	20	HJGD	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)c1	1788588407	PCHWWQBSHZNPHQ-AUUYWEPGSA-N	413.880	4.596	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cccc(F)c1Cl	1788588873	NCAWEUCISIHVJM-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1	1806163105	IZTRHUSVNDIXAB-GOSISDBHSA-N	411.373	4.592	50	20	HJGD	
C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1)c1cccs1	1822703235	HUQZZAQBQLSCIK-HIFRSBDPSA-N	422.982	4.532	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1	1830306029	GFAWYWLDPUBXAL-SJORKVTESA-N	422.978	4.745	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)c1nc(N)nc(Nc2ccccc2)n1	11297056	SXPDEQQELSXAGE-GXDHUFHOSA-N	415.457	4.524	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2sc3ccccc3c2Cl)cc1	17475889	UQAHMBYJZIDYDM-SDNWHVSQSA-N	409.898	4.802	50	20	HJGD	
O=C1CCSc2ccc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc2N1	196489034	NBLFAYRPGZRSRP-UHFFFAOYSA-N	416.717	4.838	50	20	HJGD	
O=C(NN=Cc1sc(Nc2ccccc2)nc1Cl)c1ccc2ccccc2n1	254515951	DEBWTGTXKUMNFS-UHFFFAOYSA-N	407.886	4.852	50	20	HJGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccc([C@H](C)CC)cc2)nc2ccccc12	725908471	BWULRWDBLUTGTD-MRXNPFEDSA-N	418.566	4.710	50	20	HJGD	
O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)NNc1ccc(F)cc1	727228028	JWVNGKINTRWWHG-UHFFFAOYSA-N	415.472	4.564	50	20	HJGD	
COc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)ccc1OCc1cscn1	727759039	OVJJLNMNTJWTJG-UHFFFAOYSA-N	423.416	4.506	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3sccc3C3CC3)cc2)cc1	729516935	LQHHBCQCXJRANU-UHFFFAOYSA-N	412.536	4.524	50	20	HJGD	
O=C(Cn1ccc2ccccc21)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	729638174	DJXPYVYQHHBBHQ-UHFFFAOYSA-N	422.828	4.613	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	730139414	MJNRLJQIFBDXIJ-SNVBAGLBSA-N	423.329	4.603	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC2(Sc3ccccc3)CC2)c1C	731594555	KEPDVFZOPBXQKG-KOMLCTQHSA-N	423.582	4.660	50	20	HJGD	
O=C(NN=C1CCCc2nc(-c3ccc(Br)cc3)sc21)C1CCC1	731933709	LJDDPZAOFHOWAI-UHFFFAOYSA-N	404.333	4.529	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(c3ccccc3)CCOCC2)c1C	732744342	WRXDOIBXECKUHD-XLNRJJMWSA-N	405.542	4.634	50	20	HJGD	
CCc1cc(NNC(=O)c2sccc2-c2ccccc2)nc(-c2ccccn2)n1	734357192	NUJVVEBGKMKXFY-UHFFFAOYSA-N	401.495	4.586	50	20	HJGD	
CC(C)CC(=O)NNC(=O)[C@H](C)S[C@@H](c1ccccc1)c1ccc(Cl)cc1	734980036	GSOGQJZAAZEOPI-YWZLYKJASA-N	404.963	4.745	50	20	HJGD	
CC(C)(C)OC(=O)NCc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)o1	742518479	DOVKSUPMOZXMKL-UHFFFAOYSA-N	407.470	4.787	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1	744491607	QWVQIHVLNTZBJT-SWEABUAFSA-N	423.856	4.534	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cn(-c2ccccc2)nc1-c1cccs1	746703270	OIOYPSZKSQLPGG-UHFFFAOYSA-N	414.412	4.775	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1	746879178	KXNDGURZAWBVLW-NYXAKURHSA-N	412.436	4.787	50	20	HJGD	
C[C@@H](Sc1ccc(Br)cc1)C(=O)NNc1ccc(OC(F)F)cc1	748643969	WYOAAPKUUQXDOI-SNVBAGLBSA-N	417.275	4.674	50	20	HJGD	
O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NNc1cccnc1Cl	754480595	ZDHGZFKOFDVXHU-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
N#C/C(=C\c1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)Nc1ccccc1Cl	754683449	BIFUGYYGVJSFCY-DHZHZOJOSA-N	418.671	4.773	50	20	HJGD	
COCCCC(C)=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	759180720	SACXZCMZFQHXTR-UHFFFAOYSA-N	415.493	4.533	50	20	HJGD	
COc1ccc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1Cl	765937626	OXAAZKKJKBSROH-UHFFFAOYSA-N	424.888	4.552	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1Br)S(=O)(=O)c1ccc(Cl)cc1	767717722	FYFHWKNSFKDWJQ-VGOFMYFVSA-N	400.656	4.580	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(Br)cc(Br)c1	773494366	JZHXIDYCHVZEEP-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)c(SC)cc1OC	775639466	RLHXSYGFDICSBF-MDWZMJQESA-N	405.422	4.817	50	20	HJGD	
N#Cc1ccc(NNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1	775984703	WEWOJIMRPIAODL-CQSZACIVSA-N	402.298	4.507	50	20	HJGD	
COc1ccc2nc(NNC(=O)C[C@H](c3ccccc3)C(F)(F)F)c(C)cc2c1	778477277	XXCVJLJAVABOIQ-QGZVFWFLSA-N	403.404	4.731	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@@H]1CCSc2ccc(F)cc21	779520097	LRXCMYGUFZTNAC-GFCCVEGCSA-N	401.385	4.588	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	780802652	ZDLRPOKUAPXMLC-UHFFFAOYSA-N	421.840	4.547	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccc(-c2ccccc2OC(F)(F)F)o1	781924596	OFXKMCKEWKKILN-UHFFFAOYSA-N	413.355	4.572	50	20	HJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1cnnc2ccccc12	782116675	CITZYLHQAIYYSC-UHFFFAOYSA-N	414.252	4.657	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	787379094	FSBCJXSALWPJEN-VBKFSLOCSA-N	401.378	4.638	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1Cl	787386615	GEFLKKHKKWSIRJ-AKXFXYSNSA-N	418.880	4.867	50	20	HJGD	
N#C/C(=C/c1c(F)ccc(I)c1F)c1cnc2ccccc2n1	794944779	WDXIJZLKQYKNNR-YFHOEESVSA-N	419.172	4.577	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Nc1cc(F)ccc1F	796586681	BBKPUZZGNKJQMD-UHFFFAOYSA-N	409.318	4.589	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2SC)c1C	800080801	OQCGDSZWBVCMPW-POHDFXHOSA-N	411.571	4.819	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)[C@@H](F)c1ccc(C(F)(F)F)cc1	801929469	PCBAJLLVJFIIKO-ZDUSSCGKSA-N	409.152	4.761	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2Br)nn1)C(=O)c1ccc(Cl)s1	811695036	ZSIFZTZZHAPKRP-YFHOEESVSA-N	419.691	4.535	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CC[C@H](n2cccn2)C1	812917549	BGSIXKSVTKDEIW-SMDDNHRTSA-N	404.845	4.581	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)n2ccccc2=Nc2ccccc2)c1C	832907990	DJIHBWFCIWZLLC-HYSSLTDNSA-N	414.509	4.594	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)C(C)C)c(C)n1C[C@H]1CCCO1	837213133	KGNALVFFOZYCIW-JXCKLXDISA-N	405.542	4.628	50	20	HJGD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	914454201	SNNHBVYDYCTDSH-ZTBJCTOSSA-N	406.530	4.504	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	915847234	ORHADDDESXTNOV-NBVRZTHBSA-N	420.469	4.529	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)c1cccc(Cl)c1	916278578	VSFKFJPNCBBBTJ-UHFFFAOYSA-N	401.297	4.619	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccs1	917597089	GBEOIMZWSWXAME-ZHZULCJRSA-N	418.518	4.602	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(Cl)nc3)c2C)cc1	917724481	YVKCBHSXTFKDQX-RGVLZGJSSA-N	404.901	4.674	50	20	HJGD	
COc1cc(C(=O)NN=Cc2csc(-c3ccc(C)cc3)n2)ccc1OC(C)C	918711684	WKQUXIWSVZGHMF-UHFFFAOYSA-N	409.511	4.678	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OCC#N)cc3)c2C)cc1	1317692589	VOVUCCZNKMDWIE-QNGOZBTKSA-N	410.477	4.851	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3)CCC2)cc1	1790493395	IYHKXTSFMXXPBH-FQEVSTJZSA-N	423.315	4.810	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1	1791360740	QYDJBJQUFPCEAJ-QAPCUYQASA-N	419.363	4.650	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](F)Cl)n[nH]2)CC1	1818043027	AJGVMXSOYRAJKH-SZXPJGKVSA-N	412.937	4.543	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	1824014976	HXCICRKPDXCOCZ-PMXSJFBMSA-N	423.041	4.697	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1	17699162	GVKQSAANRFVWTH-CPNJWEJPSA-N	402.425	4.959	50	20	HJGD	
CSc1cccc(N(C)C(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	726151825	NLMHMDKCZQPLMX-JCAJYURWSA-N	409.555	4.576	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@@H](c1ccccc1)[C@@H]1CCCO1	726711706	IMUQKCLMYOQCOF-KBPBESRZSA-N	415.708	4.588	50	20	HJGD	
N#C/C(=C/c1nccn1CC(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1	728695276	TZIFJTMTFUWFJD-QINSGFPZSA-N	412.371	4.783	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3cccc(C)c3)c2)cc1	731785372	URVJPGNBADPIEQ-UHFFFAOYSA-N	402.494	4.853	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC[C@H](n2ccnc2)C1	732416674	NKBMXSWGAVLIFE-WFASDCNBSA-N	418.872	4.971	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)N(C)C1CCCCC1	732716290	NMLRQBBDXVWKNV-NTCAYCPXSA-N	400.885	4.671	50	20	HJGD	
CO[C@H](CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(F)(F)F	733618929	OVFUOUFUHKIZCI-NXEZZACHSA-N	410.767	4.605	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccco1	741515332	VLRVKUBKIBTNFB-AWEZNQCLSA-N	414.914	4.790	50	20	HJGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	743288807	GRHUARDZIBHFMU-ZDUSSCGKSA-N	408.329	4.833	50	20	HJGD	
O=C(C[C@H](Cc1ccccc1)c1ccccc1)NNc1ccc(Br)nc1	743404609	AQFNWMIFEQGOTB-SFHVURJKSA-N	410.315	4.704	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nnc(-c3cccc(F)c3)o2)c(C)n1CC(C)C	744498986	DJRLDYVOFQLPST-DJKKODMXSA-N	422.460	4.600	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2cccc([N+](=O)[O-])c2C)c(C)c1	748673505	LRFYCSZYWSQGAD-UHFFFAOYSA-N	408.483	4.823	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	748718242	RXWJIVHLLXUYPQ-HLASGMPESA-N	417.815	4.840	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12	749948309	XQFLKBCDPGGIRF-LLVKDONJSA-N	418.858	4.891	50	20	HJGD	
COc1cc(C(=O)NN=C2CCC3(CCOCC3)CC2)ccc1OCCC(C)C	751522546	UMOPQOFZRSAUAS-UHFFFAOYSA-N	402.535	4.577	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cc(-c2ccccn2)ccc1Cl	754876362	LMDMWCIFHGCTQF-UHFFFAOYSA-N	415.880	4.559	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(OCCBr)c(Cl)c2)c1	763109327	ROCMDQTXMFXJKK-DHDCSXOGSA-N	420.690	4.912	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1csc(-c2ccc(OC)cc2)n1	767918152	UIEWJNHOERTTDX-VBKFSLOCSA-N	405.479	4.763	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccc2nc(C(F)F)[nH]c2c1	772430083	VFAFFTNEGHJWDJ-UHFFFAOYSA-N	401.295	4.548	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1	777418772	VZSYIJKHYHAXTN-LLVKDONJSA-N	400.784	4.591	50	20	HJGD	
COc1ccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c(F)c1	777997969	YURWPIKAQBJIJG-UHFFFAOYSA-N	421.384	4.970	50	20	HJGD	
COc1cc(NNC(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)ccc1Cl	789025410	GXRGLUNSZMNUAS-HXUWFJFHSA-N	410.905	4.662	50	20	HJGD	
O=C(NNC(=S)Nc1ccsc1)c1ccc(COc2ccc(Cl)cc2)cc1	790301006	CTIVUEMJJCKUMR-UHFFFAOYSA-N	417.943	4.612	50	20	HJGD	
CSc1ccccc1CN(C)C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	791898523	AWBPGYROTMSNST-WCCCRJGXSA-N	423.582	4.571	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F	794954414	VJEOOFGKAHXVRZ-UHFFFAOYSA-N	421.398	4.614	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2)cc1	797301525	CXOYPVWCDIUYNU-QJOMJCCJSA-N	412.489	4.540	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1cc(C#N)cc(Cl)n1	797966907	VTZCJHPCNNPVOJ-UHFFFAOYSA-N	422.659	4.634	50	20	HJGD	
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	799785693	NWDFTRIROJMQGZ-SJORKVTESA-N	416.653	4.854	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC[C@H](c4cccnc4)C3)s2)cc1	799873919	OWSVAAQIIJEWRS-INIZCTEOSA-N	420.538	4.845	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(-c2nc3ccccc3s2)s1	803434961	DWPJPWJQPWXNQE-UHFFFAOYSA-N	418.503	4.623	50	20	HJGD	
Cc1cc(Br)c(C(=O)NNc2ncc(Cl)cc2Cl)cc1Cl	804566378	DNHWTHCMWVZVMR-UHFFFAOYSA-N	409.498	4.870	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	808745075	KVOXUXHYNRGRGG-SFHVURJKSA-N	420.674	4.740	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1OC	812248168	FZVUECRMYRMTSB-VZUCSPMQSA-N	413.193	4.944	50	20	HJGD	
C#C[C@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(F)cc1	813039160	LDVSZOCVZCMKTF-HNNXBMFYSA-N	422.350	4.912	50	20	HJGD	
CCN(Cc1cccc(Cl)c1)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	914501683	LPAZZBKSUCUPQU-KKJJZKEWSA-N	413.949	4.921	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc(O)c3cc(Br)ccc3n2)c(Cl)c1	914600181	PUAVIYKMNPEGBZ-WDZFZDKYSA-N	416.662	4.824	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccccc2Br)s1)c1ccc(Cl)nc1	915973327	KQYLCAWXIDOONA-UHFFFAOYSA-N	420.719	4.990	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)CC(F)(F)F)cc1C	917550316	BKEPXOMGUHNWSW-UHFFFAOYSA-N	414.431	4.618	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2OC)c1C	920009413	RGXUHDACNBQLQN-FBJMNJBLSA-N	401.894	4.520	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)c3ccccc3Cl)c2Cl)c1	1115814286	MTXUZHHNJQJNST-UHFFFAOYSA-N	401.297	4.868	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2CN2CCCC2=O)c1C	1318010396	XUKSVQVXQQSKDV-JCMHNJIXSA-N	418.541	4.573	50	20	HJGD	
C/C=C/COc1ccc(CCC(C)=NNC(=O)c2cncn2-c2ccccc2)cc1	1318010950	FFQHSVWVTKRAKX-IYQQPZFXSA-N	402.498	4.566	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2ccc(-c3cccs3)s2)cc1	1348510305	DEDGCWXZXDIBOY-UHFFFAOYSA-N	403.554	4.507	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1	1786447169	VTZIKORTAVRSPW-IBGZPJMESA-N	402.922	4.672	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)CCC1	1788454416	NGEXCXUWPKATGS-IBGZPJMESA-N	424.932	4.670	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3C)CCC2)cc1	1790490206	XPQJLTJQGDBZJI-HXUWFJFHSA-N	414.933	4.769	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C)cc3C)CC2)C1	1806163844	ZFLQCMHSWCOEPR-HXUWFJFHSA-N	404.982	4.556	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1	1814697377	CKZQVDXIKAYVEG-MRXNPFEDSA-N	423.344	4.634	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)c2ccccc2)n[nH]1	1815554078	UOBQKZJFXVYHFA-WDYCEAGBSA-N	420.916	4.520	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1	1824618327	FHJBVYSGNXTBQQ-VQTJNVASSA-N	411.030	4.984	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1	1830307509	BWDXGTKBZKHFBE-RBUKOAKNSA-N	416.949	4.684	50	20	HJGD	
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NNC(=O)c1ccccc1	8290199	SNTMIGRSOJUESJ-OAQYLSRUSA-N	410.926	4.624	50	20	HJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	11295456	UDBQVKUNHOIYFT-RIYZIHGNSA-N	403.419	4.513	50	20	HJGD	
Cc1cc(/C=C(C#N)\C(O)=N\c2cnc(C(C)(C)C)nc2)c(C)n1C[C@@H]1CCCO1	64328278	DXRCYGAGJNLAFV-JYWRCUDFSA-N	407.518	4.567	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C	105284150	STVSQIFQVFJBBZ-XGHPXPSOSA-N	421.419	4.757	50	20	HJGD	
O=C(COC(c1ccccc1)c1ccccc1)NNc1cccc(C(F)(F)F)c1	301689804	XOUBGNOCVGOUCG-UHFFFAOYSA-N	400.400	4.955	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C(=O)O)c1)c1ccc([N+](=O)[O-])cc1	731563539	RRVCCKLIVOWVSO-XDHOZWIPSA-N	400.390	4.936	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1-c1ccccc1)C1CCCCC1	732716132	HCWNBQAUJGSQNH-WYMLVPIESA-N	403.313	4.877	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2Cl)C(C)C)c1C	734340446	AEESHZXTROCVSV-JJEHFPDLSA-N	413.949	4.825	50	20	HJGD	
COC1CCC(N(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)CC1	734351586	ILXWEXLXKKKSTG-QNGOZBTKSA-N	405.542	4.726	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)C2CC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl	741275077	BRSXKBIRNRGLHN-GFCCVEGCSA-N	406.313	4.646	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(N3CCCCC3)cc2)c1C	742475891	DNNUXIYJAQGUCL-XQNSMLJCSA-N	404.558	4.729	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCN2Cc3ccccc3C2)c(C)n1C1CCCCC1	743921954	PNSJTEJXEDLIIN-IWIPYMOSSA-N	416.569	4.649	50	20	HJGD	
COc1cccc([C@@H](NC(=O)NNc2cccc(C#N)c2)c2ccccc2Cl)c1	745849060	QDFANEUHQJRPAX-OAQYLSRUSA-N	406.873	4.636	50	20	HJGD	
C[C@H](CSc1ccc(F)cc1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748701577	MYZNYOLKSBOPJE-GFCCVEGCSA-N	402.413	4.638	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=O)c2cc3ccccc3o2)cs1	749817603	LDSNWSBUUXXMOE-UHFFFAOYSA-N	418.478	4.646	50	20	HJGD	
Cc1cnc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)o1	750075172	UIPCBCQTFVIVFX-CIAFOILYSA-N	410.477	4.767	50	20	HJGD	
N#C/C=C(\c1ccccc1)N1CCC(C(=O)Nc2cccc(Br)c2)CC1	750797079	VYQMWRPGGTZZBZ-AWQFTUOYSA-N	410.315	4.664	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	754549041	IDJUFESTDQLJIJ-HEHNFIMWSA-N	408.457	4.742	50	20	HJGD	
COc1ccccc1SCC(=O)NNC(=O)Nc1ccc2oc3ccccc3c2c1	755365824	CUDXAGROPUOWQA-UHFFFAOYSA-N	421.478	4.540	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1	759319240	HYWOKEBWBQSOHY-UHFFFAOYSA-N	422.485	4.565	50	20	HJGD	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NNc1c(Cl)cccc1Cl	763613214	SCDHBXBFWDPWSZ-UHFFFAOYSA-N	412.276	4.605	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCC(C)CC3)s2)cc1	764763002	PVFMFIBOQVKJLW-UHFFFAOYSA-N	420.629	4.913	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1cc(F)ccc1OC[C@H]1CCCO1	770024908	IGSNDEBICGANDK-CYBMUJFWSA-N	413.371	4.551	50	20	HJGD	
N#C/C(=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)c1cc(F)cc(F)c1	773171500	MTKHRQDMCKMTHI-AUWJEWJLSA-N	403.310	4.959	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ncc(Cl)cc3Cl)s2)cc1	775276650	OZYNDZZLXCXRNE-UHFFFAOYSA-N	409.298	4.586	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)c(-c2ccc(C#N)cc2)n1	777871303	KKMAYXXRCZUKLU-ZSOIEALJSA-N	423.295	4.573	50	20	HJGD	
Cc1csc(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1	777873442	UPONWGLRSMVSDB-UHFFFAOYSA-N	408.439	4.630	50	20	HJGD	
O=S(=O)(NCCC[C@H]1CCCCO1)c1cccc(S(F)(F)(F)(F)F)c1	778069971	RCUFZCNFDGGJLQ-GFCCVEGCSA-N	409.442	4.972	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)ccc1OCCC(=O)O	784961951	MOOKCUJTRIYFDJ-LCYFTJDESA-N	420.248	4.645	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccccc1-c1ncc(-c2ccccc2)o1	791075491	FGHOLQBJRUPQOX-UHFFFAOYSA-N	418.384	4.813	50	20	HJGD	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)NNc2nc3ccccn3n2)cc1	792333757	OCYXDELTWFKVKX-HNNXBMFYSA-N	404.499	4.731	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2SC)c1C	800080800	OQCGDSZWBVCMPW-MHENUPEQSA-N	411.571	4.819	50	20	HJGD	
CC(=NNC(=O)CC(F)(F)F)c1sc(-c2ccc(Br)cc2)nc1C	814811829	VUAJPGGPEAYNDU-UHFFFAOYSA-N	420.254	4.674	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1	857546640	YNPCALRPLISHJO-NSHDSACASA-N	400.832	4.594	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)nn2Cc2ccccc2)c1C	893915387	AKCSADXVWAEGOK-HYARGMPZSA-N	401.514	4.614	50	20	HJGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1sc(Oc2ccccc2)nc1Cl	915955326	YOFGBUSLQZGBEX-OAHLLOKOSA-N	420.966	4.551	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)c1ccc2c(c1)OCO2	915989359	GTJPMDFEWJMAKS-PXNMLYILSA-N	423.831	4.551	50	20	HJGD	
CCOC(=O)c1ccn(-c2cccc(NC(=O)CCCC[C@H]3CCSS3)c2)n1	1317938984	WWGDCMQBYKSTBG-KRWDZBQOSA-N	419.572	4.702	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(CNC(=O)OC(C)(C)C)o2)c(C)n1CCC(C)C	1322475269	QOTYCDZGTFUOMJ-WQRHYEAKSA-N	413.522	4.623	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(C)n3)cc2)CCC1	1788349669	OROBURGPEJRFOJ-IBGZPJMESA-N	413.949	4.854	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cccc2ccncc12	1788588875	NDDNRMRXYBZRKG-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3cc(C)ccc3C)CC2)C1	1806163062	ATHBEWNCEYLKNE-HXUWFJFHSA-N	404.982	4.556	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc(-c3cccs3)no2)c(C)n1CCC(C)C	21713647	WVOXQXYXDRAKBH-WOJGMQOQSA-N	424.526	4.913	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3ccncc3)c2C)cc1	726384344	BIVONYSHCYMFPF-KGENOOAVSA-N	401.466	4.538	50	20	HJGD	
Cc1ccc(-c2nc(CCNC(=O)NNc3ccc(Cl)cc3Cl)co2)cc1	726711132	AOCWPEWULGVDBI-UHFFFAOYSA-N	405.285	4.826	50	20	HJGD	
CCSc1ccc([C@H](C)NC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1	729053752	CKQGFQFHBNLOKH-NSHDSACASA-N	412.342	4.811	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2)o1)NNc1ccc(Br)cc1Cl	729276365	DEMNUJYRNLRWPX-UHFFFAOYSA-N	420.694	4.833	50	20	HJGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)c1	729949628	VGMXICDNLVQSGI-HXUWFJFHSA-N	421.909	4.506	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2noc3c2CCCC3)c(C)n1-c1ccccc1F	731233911	SJMLLLYRJOKVLQ-LDADJPATSA-N	419.456	4.750	50	20	HJGD	
COCC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	732778067	SKWTUDLGSORUCK-MOSHPQCFSA-N	411.933	4.540	50	20	HJGD	
N#C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)no1	733083564	LSHALJZQIRDYRM-OQLLNIDSSA-N	401.407	4.832	50	20	HJGD	
Cc1ccc(Cl)c(NC(=S)NNC(=O)Nc2ccc(Cl)cc2)c1Cl	734378949	BHOBSJLQUJRIGK-UHFFFAOYSA-N	403.722	4.978	50	20	HJGD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc(Br)cc1	738507510	QBURIRZVUGZJDU-LLVKDONJSA-N	401.226	4.790	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccccc1OCc1ccc(F)cc1	740137663	CYJOXJAKWKVYQX-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](C)C[C@@H](C)O)c(C)n1-c1cccc2ccccc12	740842263	FVRFEBYUDIDQQB-DVGNAVLXSA-N	415.537	4.678	50	20	HJGD	
CCCCC[C@@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)C(C)(C)C	743615427	HCAKNXFFYUFQHF-OAHLLOKOSA-N	400.470	4.619	50	20	HJGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)s1	743826052	RAPXHFARXCQGSA-BUHFOSPRSA-N	420.538	4.974	50	20	HJGD	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NNC(=O)c1cc2ccccc2o1	750289669	WHQKPFYKBGGOCL-NSHDSACASA-N	406.269	4.787	50	20	HJGD	
O=C(CCc1ccccc1)NNC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1	750328506	VOSIHDUQLVAMAN-JOCHJYFZSA-N	421.928	4.587	50	20	HJGD	
COC(=O)C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(Cl)cc1	752456348	OMLYUFFUNYNLGN-HOTGVXAUSA-N	401.981	4.775	50	20	HJGD	
Cc1csc(C(=O)NNc2ccc(Br)cc2Cl)c1Br	754208253	USJUCBIFFMOVCT-UHFFFAOYSA-N	424.545	4.992	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(F)cc2Cl)nn1)c1nc2ccccc2n1C(F)F	755584025	IRFLNEYTHVGOIO-YRNVUSSQSA-N	414.778	4.869	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(C#N)CCSCC2)c(C)n1-c1cccc(Cl)c1	757980698	SJZCWVFIRBDKQT-WOJGMQOQSA-N	424.957	4.560	50	20	HJGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	758416154	DEMKIFSVHACMHM-MLJKTZRHSA-N	408.841	4.551	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1oc2ccccc2c1CSc1ccc(F)cc1	760906888	LNPFDZROGATGAL-UHFFFAOYSA-N	412.421	4.550	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(Cl)cc2Br)cc1C(F)(F)F	761573146	SZHBHYBGDMGBBP-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)oc1C	767918872	ZPLYINAYXHBWNZ-NVNXTCNLSA-N	421.478	4.661	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)noc2-c2ccccc2)c1C	770011309	CRHVMZMYJKEKER-GKXUUXLPSA-N	418.497	4.821	50	20	HJGD	
O=C(O)CC[C@H]1CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	776683000	SPDAVAQXGKLQGY-LLVKDONJSA-N	423.425	4.610	50	20	HJGD	
CNC(=O)c1ccccc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777601512	WFKTXPQKVKEGJT-UHFFFAOYSA-N	416.393	4.504	50	20	HJGD	
CCCN(C)C[C@@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777981171	IAIAMLFGNCJNCX-ZDUSSCGKSA-N	422.485	4.696	50	20	HJGD	
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NNc1cc(Cl)ccn1	778447335	PFMZOSWQUXLPTL-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C(=O)Nc1ccc(-c2ccccc2)cc1	785166566	GNUNDZSNJCBEPI-UHFFFAOYSA-N	417.362	4.593	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)N(CC1CC1)C1CCC1	797392347	VNSRGZIPCDEAFV-QGZVFWFLSA-N	420.884	4.636	50	20	HJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1	810204177	KYDBABGTASBKAU-MOSHPQCFSA-N	422.492	4.733	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccc(Cl)cc1	813837079	ZVZCMRPWVHQJIQ-UHFFFAOYSA-N	410.701	4.704	50	20	HJGD	
CC(C)[C@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCCO1	815110793	NFBHOLWOSRJIPD-CQSZACIVSA-N	409.442	4.780	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(C)c(OC(F)F)c(C)c2)c(C(F)(F)F)c1	816702296	HWUAXTYFLUTESK-UHFFFAOYSA-N	404.335	4.689	50	20	HJGD	
Cc1noc(C)c1COc1ccccc1C(=O)NNc1ccnc2cc(Cl)ccc12	849214548	OVESHEWSDKBYEE-UHFFFAOYSA-N	422.872	4.829	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c1OC(C)C	916129322	FDCFEEKZZWGKTP-BOPFTXTBSA-N	420.494	4.547	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(N3CCCC3=O)ccc2F)c(C)n1CC(C)C	917799248	VAFCMXHGFUOUNN-YBFXNURJSA-N	422.504	4.573	50	20	HJGD	
C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918240250	PMYCNRQTBHFFLS-UVWXRNBGSA-N	408.873	4.539	50	20	HJGD	
CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918270487	SBTKLWRQRXDWMR-PSTGCABASA-N	422.900	4.929	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)cc1	918594090	WVQKKIAUOPWIAM-JWGURIENSA-N	403.526	4.863	50	20	HJGD	
CC(C)(C)c1nc(C=NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cs1	920363120	SMILPSRPCMRVOX-UHFFFAOYSA-N	418.522	4.508	50	20	HJGD	
COc1ccc(CCC(=O)NN=Cc2sc(Oc3ccccc3)nc2Cl)cc1	920379638	DUYRZGUISVGWKW-UHFFFAOYSA-N	415.902	4.680	50	20	HJGD	
CCN(CC)C1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)CC1	1327154560	ZSZSYYRZILEDMA-OQKWZONESA-N	410.606	4.850	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccccc2Cl)ccc1OCc1cccs1	1336999497	HBSYAWKCGWYMSE-UHFFFAOYSA-N	400.887	4.753	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccnc3S)cc2)CCC1	1785843238	PYXJQGHZSGFZPA-QGZVFWFLSA-N	417.962	4.526	50	20	HJGD	
O=C(CCCc1ccccc1F)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1786118707	YTPSBCRFORVOSW-FQEVSTJZSA-N	420.887	4.817	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cccc(F)c1Cl	1788588874	NCAWEUCISIHVJM-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
O=C(COC(=O)CCCC[C@@H]1CCSS1)Nc1ccccc1Br	6399272	QMVZPOYXLZVXGQ-GFCCVEGCSA-N	418.378	4.645	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)c3cccc(OC)c3)c2)cc1	57405843	CJWMRGDGXLIJKH-MOSHPQCFSA-N	412.445	4.746	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cc2c(s1)-c1ccccc1OC2	727794658	QOFLOQZSQZIGPK-UHFFFAOYSA-N	419.289	4.689	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C	728600496	JORDIGZHKCQFFQ-UHFFFAOYSA-N	416.506	4.599	50	20	HJGD	
O=C(NNC(=O)c1ccc(Br)cc1Cl)Nc1cccc2ccccc12	728942754	ZLOXTSSAINDPSG-UHFFFAOYSA-N	418.678	4.722	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2ccc(OC(F)F)c(Cl)c2)cc1OC	731486618	QLVGRCNAQCWIHP-UHFFFAOYSA-N	412.820	4.503	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2ccccc2-c2ccccc2)cc1Br	731937088	HBVDSPCSDOUEAR-UHFFFAOYSA-N	409.283	4.889	50	20	HJGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	732976510	QPIGXSIKPUQQID-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
CC[C@H](CC1CCCC1)C(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	734259187	SMABHQGXFVAYJC-CQSZACIVSA-N	407.440	4.607	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(-c3ccccc3OC)cc2)cc1	741467960	PIEOBOQQSUPBSO-XLNRJJMWSA-N	412.489	4.637	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1	741472190	TZYWATVTTGUJCW-HMMYKYKNSA-N	411.461	4.866	50	20	HJGD	
Cc1ccccc1OCCCOC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	742862850	PKWPWUBEOIFSAM-VKIDYWOHSA-N	422.525	4.512	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c3cccnc3)c2C)cc1	743723422	UIUAFXGUNSIWFZ-OVBDPADQSA-N	414.509	4.624	50	20	HJGD	
N#Cc1ccc(CSc2ccccc2C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	748005276	XPQUMKAOMBHDMD-UHFFFAOYSA-N	404.451	4.516	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1cccc(Br)c1	748020513	IUZCPKLMLUSVLY-UHFFFAOYSA-N	413.319	4.689	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccc(COc3ccccc3Br)cc2)c1	748041842	XMNIEQWMFLKISF-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C	748670943	ZXOXYZNAJBSHEA-AWEZNQCLSA-N	405.564	4.826	50	20	HJGD	
CC(C)(Oc1cccc(Cl)c1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748709921	BWTAIGWHOVQESH-UHFFFAOYSA-N	402.800	4.582	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cn(-c2ccc(F)cc2Cl)nn1	755572699	OYDXGADFWIARAF-JYRVWZFOSA-N	405.820	4.639	50	20	HJGD	
N#Cc1ccccc1Sc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)cc1	755859389	FHNWSLIBTGKZFW-UHFFFAOYSA-N	420.441	4.942	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccccc3)cnc2C)c1C	760784918	MOTSJEUAIQTWND-LPYMAVHISA-N	414.509	4.667	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	760855442	LLSNMEJHUBWWRY-UHFFFAOYSA-N	422.444	4.626	50	20	HJGD	
O=C(NCCc1ccccc1F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762642877	XJSIHJCNNUCQNT-UHFFFAOYSA-N	412.355	4.781	50	20	HJGD	
CC(=O)NC[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762979147	GTXNXQQUNNUENW-GFCCVEGCSA-N	401.401	4.724	50	20	HJGD	
Cc1ccc(-c2csc(NC(=O)[C@H](c3ccccc3)N3CC=C(C#N)CC3)n2)cc1	767119617	MFADXDHYEZBWGN-QFIPXVFZSA-N	414.534	4.954	50	20	HJGD	
O=C1CCCc2cc(NC(=O)NNc3ccc(Br)cc3Cl)ccc2N1	770017619	WDYCYERZLOSUCM-UHFFFAOYSA-N	423.698	4.526	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc(Br)c1O	773149783	KSSDFPMHFOPOQV-ONNFQVAWSA-N	410.626	4.746	50	20	HJGD	
O=C(CCCCC(=O)c1ccc(F)cc1)NNc1cc(C(F)(F)F)ccc1F	779023923	HWSBFOVXIRGOEW-UHFFFAOYSA-N	400.347	4.870	50	20	HJGD	
COc1ccc(NNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nc1	782019591	YDFGLSYNXLTCNC-UHFFFAOYSA-N	409.833	4.556	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(C#N)n1C	782829080	MZWPYQLGJBJGOM-SAMUYDCASA-N	419.488	4.528	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CC12CCCC2	783462704	IPAKXNNVXBULSD-GFCCVEGCSA-N	405.410	4.729	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@H](CN2CCOCC2)C1	784460877	ZKSJNKGRDMNONI-ZDUSSCGKSA-N	415.428	4.530	50	20	HJGD	
Cc1cc(CN(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)cc(C)c1OCC(F)(F)F	787124799	PTUDDEMDLQCHJZ-ZDLGFXPLSA-N	418.415	4.516	50	20	HJGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1	787146368	XQIKAFZWZIZICJ-CDCQXCROSA-N	402.281	4.736	50	20	HJGD	
Cc1cc2occ(CC(=O)Nc3cccc(NC(=O)NN(C)C)c3)c2cc1C(C)C	788263015	UCBVKXPSLROFQQ-UHFFFAOYSA-N	408.502	4.644	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCCCC3)cc2)c1C	790233700	BWEYVLCHLPLIFR-XLNRJJMWSA-N	420.557	4.677	50	20	HJGD	
O=C(NNc1nc2ccccn2n1)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	791253233	LPJJQSLPSOCQGU-UHFFFAOYSA-N	404.282	4.522	50	20	HJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(Br)c(C)c1	793712250	SKTWDZCKJWHVRE-UHFFFAOYSA-N	400.276	4.732	50	20	HJGD	
N#C/C(=C\c1c(Cl)nc2cc(Cl)ccn12)S(=O)(=O)c1ccc(Cl)cc1	794694213	AEJKXMVUQRTSRR-MDWZMJQESA-N	412.685	4.633	50	20	HJGD	
Cc1nc2cccc(C(=O)NNc3c(Cl)cc(Br)cc3Cl)c2[nH]1	801915255	OSQKMCCILJGXOT-UHFFFAOYSA-N	414.090	4.698	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	805384920	UEXDKAINYRBMHL-CVEARBPZSA-N	408.483	4.706	50	20	HJGD	
C[C@@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)[C@H](O)c1ccccc1	808340568	OQIORMXJABWEND-ABAIWWIYSA-N	417.421	4.744	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCCC(F)(F)C2)c1C	814130120	NWDXAVMWBYCIKO-KOYONGHASA-N	407.505	4.551	50	20	HJGD	
COc1ccc(-c2nc(C(=O)Oc3cc(C)c([N+](=O)[O-])cc3C)cs2)cc1OC	899892662	FVACFNQNMANPCH-UHFFFAOYSA-N	414.439	4.572	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)c1	913454571	QGSLYEMWLVAJBI-YVMONPNESA-N	413.852	4.698	50	20	HJGD	
N#C/C(=C/c1cc2ccccc2nc1N1CCCCC1)C(=O)Nc1ccc(F)cc1	915842261	HYUIZVLMYYTXCI-CYVLTUHYSA-N	400.457	4.910	50	20	HJGD	
CC(C)[C@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1	916237269	KOGXMOYDDARWEG-NAVXVDNBSA-N	403.954	4.584	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(C)n1C[C@@H]1CCCO1	918590230	ZSDZILRXJFREFE-VRXLJMCRSA-N	409.574	4.618	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)c1C	1325537951	BAHXHPQLQONASE-WCCCRJGXSA-N	407.562	4.783	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OC[C@@H]2CCCC(F)(F)C2)c(C)n1C[C@@H]1CCCO1	1345728861	BMSZPMYNGYLFLV-QHDZVZEPSA-N	406.473	4.560	50	20	HJGD	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)[C@H](C)CBr)cc2)CCC1	1786071056	YQEGYSJEWRPOFY-MRXNPFEDSA-N	421.379	4.898	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3OC)cc2)CCC1	1792073457	ZGWFOJZDSSKMBF-GOSISDBHSA-N	418.896	4.599	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2csc(-c3ccc(F)cc3)n2)c1C	17699532	OFPNFRJPSOARHC-OQLLNIDSSA-N	423.469	4.861	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCCc2nc3ccccc3[nH]2)c(C)n1CCC(C)C	26692733	ATAVQXHPBARXOA-RCCKNPSSSA-N	417.557	4.683	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(Br)c1O	33580413	KOVYOUMCESXVRA-CHHVJCJISA-N	415.287	4.634	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2coc(-c3cccs3)n2)c(C)n1CC(C)C	55148989	JPQRVJONQRUDCM-NVMNQCDNSA-N	408.527	4.701	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(OC(=O)c3cccs3)c(OC)c2)c1	207930612	VWPZPONOQQOWGW-BOPFTXTBSA-N	419.458	4.774	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccncc2)c1	208583066	QVHZNSZDDZRPLM-HKWRFOASSA-N	405.461	4.788	50	20	HJGD	
CC(C)Sc1ccccc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1	255944463	VONAXSPJCISDJX-UHFFFAOYSA-N	420.534	4.694	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1	303524984	FWQXQYGNEKGESK-UHFFFAOYSA-N	411.893	4.635	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@@H](c1ccc(F)cc1)C1CCC1	729229808	POTGZRZQNRBCSV-QGZVFWFLSA-N	410.276	4.618	50	20	HJGD	
Cc1ccc(Cc2sc(NC(=O)c3c(C)nn(CCCl)c3C)nc2C)cc1	733922056	XVYHLMYJSMBVLK-UHFFFAOYSA-N	402.951	4.655	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(Br)ccc2Cl)ccc1Br	734254616	BQEQLTILPDNLPE-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Cc1cccc2ccccc12)c1cccc(Cl)c1Cl	735584914	VXUIOTNQIBSPBM-ZDUSSCGKSA-N	416.308	4.781	50	20	HJGD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNC(=S)Nc1cccc(Cl)c1	738555645	DRRKQYRDKWNKGK-NSHDSACASA-N	415.868	4.555	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cnc4c(C)cccn34)n2)c1	741471825	PDESNHOYYKCRDT-LICLKQGHSA-N	413.506	4.929	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc2ccccc2c(Cl)n1	741981034	YDOHJYBMCCKZMS-UHFFFAOYSA-N	412.621	4.686	50	20	HJGD	
CCC(C)(C)C1CCC(NC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)CC1	745334246	SKKYJWFPQCDKDF-UHFFFAOYSA-N	412.481	4.619	50	20	HJGD	
N#Cc1ccccc1COc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	747598411	KCSQCOVQIOIXMA-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccccc2Br)c1	748065811	DWCZAHLDWXUORH-UHFFFAOYSA-N	406.280	4.553	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1	748407085	AGUFXXBNPQFGKW-UHFFFAOYSA-N	413.477	4.988	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCCN(C(=O)[C@@H](C)CC)C1	748673118	XBIKJPPGYFBLIB-YJBOKZPZSA-N	401.576	4.608	50	20	HJGD	
O=C(/C=C/c1ccccc1OC(F)(F)F)NNc1ccc(OCC(F)(F)F)cc1	748694055	IAIUMEJCAAPACK-BJMVGYQFSA-N	420.309	4.683	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1	748812853	ROHSTDSGSAQRPH-UHFFFAOYSA-N	419.790	4.767	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1C	750959214	ZREUSNFJOWWNRZ-HNIBHBHRSA-N	418.497	4.877	50	20	HJGD	
CN(C)c1cccc(C(=O)NNC(=O)Nc2ccccc2SCc2ccccc2)c1	755536041	QUAJSNSXODGJED-UHFFFAOYSA-N	420.538	4.511	50	20	HJGD	
Cc1noc(C)c1CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	756158434	STPBDMQBSSHCSV-UNOMPAQXSA-N	407.445	4.531	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc2cc(Br)ccc2c1	763715525	GUYCEFAUPUEIOF-UHFFFAOYSA-N	406.711	4.907	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccccc1SCC(F)(F)F	775469767	LBKXSRFTPWYALO-UHFFFAOYSA-N	410.343	4.903	50	20	HJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	775536486	HQZHYSNGEMMBOC-UHFFFAOYSA-N	417.922	4.960	50	20	HJGD	
C=CCCC[C@H](C)NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	776084723	VZJURPCVADINEN-KRWDZBQOSA-N	402.498	4.591	50	20	HJGD	
O=C(O)c1ccccc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777650750	XYOZDQZRVUHGKE-UHFFFAOYSA-N	403.350	4.843	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2Cl)cc1	787184480	SLKGICZZPBQMDZ-QLENYVDCSA-N	420.900	4.627	50	20	HJGD	
Cc1c(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)oc2c1ccc1ccccc12	788253739	CFKMMKCZJRPEMD-UHFFFAOYSA-N	402.454	4.745	50	20	HJGD	
O=C(NNC(=O)c1cncc2ccccc12)Nc1c(Cl)cc(Cl)cc1Cl	802069704	NXEYKQWFDWHGQH-UHFFFAOYSA-N	409.660	4.662	50	20	HJGD	
Cc1cccc2cc(C(=O)NNc3ccc([N+](=O)[O-])cc3Br)sc12	809782184	JVGZZGSTOZVWAB-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
Cn1cc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c(C2CC2)n1	813023918	DXGYZWGILSDIRL-UHFFFAOYSA-N	410.368	4.532	50	20	HJGD	
CC(C)OC1CC(=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1	814697932	JINJRZWCSMEPEQ-UHFFFAOYSA-N	408.527	4.528	50	20	HJGD	
CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)c1sc2nc(C)cc(C)c2c1N	814777869	YUQMBOABJXKYCH-WMZOPIPTSA-N	422.554	4.564	50	20	HJGD	
CCOc1ccc(NNC(=O)[C@H](c2cccc(C(F)(F)F)c2)N(CC)CC)cc1	857511955	DBEWTFSKVVMDGP-IBGZPJMESA-N	409.452	4.630	50	20	HJGD	
CNC(=O)c1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1	911723060	SNHLHXLJAVMYDX-MOSHPQCFSA-N	404.514	4.515	50	20	HJGD	
Cn1cc(C(=O)NN=Cc2cc(Cl)ccc2OCc2cccnc2)c2ccccc21	914695144	GZGIWGDXPGOGID-UHFFFAOYSA-N	418.884	4.570	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	916346097	MIALOCLHNVHQCB-UHFFFAOYSA-N	413.430	4.626	50	20	HJGD	
COCCOc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c(C)c1	916691399	CEKPCOJQIQQNBT-UHFFFAOYSA-N	405.498	4.764	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/C1=Cc2cc(Br)ccc2OC1)c1ccccc1	917400436	VRMOYYUPNIIRLV-YFEUJDIGSA-N	409.283	4.552	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1OCc1ccccc1Cl)c1ccccn1	917530601	PMSSFRMTKSUFCI-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)c3ccc(CCCl)cc3)cc2)cs1	917874463	HPGGNHPARDWSAR-CQSZACIVSA-N	420.987	4.939	50	20	HJGD	
O=C(NNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccc(Cl)cc1Cl	920082216	VCOFNHJZUMILRF-UHFFFAOYSA-N	414.701	4.778	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)NNc1ccccc1F)C(F)(F)F	1320409417	RTPVNMVMGSUCOZ-GOSISDBHSA-N	421.398	4.558	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccs2)[nH]n1	1815317641	DIHLVLDIZACJAQ-ZMMKQQPBSA-N	420.966	4.584	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1	1820860166	QYIIHTPEDPHYOZ-HKUYNNGSSA-N	414.937	4.610	50	20	HJGD	
CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)Cl)CC1)c1ccccc1	1824240366	IYNSVSRHESZUKE-ACRUOGEOSA-N	422.972	4.580	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	1824618856	MTYMERCZKOTZDJ-AMGKQAFBSA-N	423.041	4.840	50	20	HJGD	
CCCCCc1ccc(/C=C/C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](Cl)CC)cc1	1847491568	PYAXXMLOYCADQL-HRYZVNLKSA-N	416.993	4.652	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2cc3ccccc3o2)c(C)n1C[C@@H]1CCCO1	26386419	GWAINJSUDSWPFQ-JZONBZBVSA-N	417.509	4.815	50	20	HJGD	
N#C/C(=C\c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1Br	727974399	JPNZCOPHGKAFPF-XYOKQWHBSA-N	411.177	4.893	50	20	HJGD	
Cc1ccccc1NCCC(=O)NNc1ccc(Br)cc1C(F)(F)F	731479156	OKDOBXWOBVICSO-UHFFFAOYSA-N	416.241	4.722	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(-c3ccccc3)no2)c(C)n1[C@@H](C)c1ccccc1	732112023	OTPATUADAXDFNE-INIZCTEOSA-N	401.470	4.521	50	20	HJGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NNc1cc(F)c(F)cc1F	734553500	ONJKTBANJIZVAS-UHFFFAOYSA-N	407.417	4.758	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NNc1cc(F)c(F)cc1F	734662367	YMBQYMRPELIAOT-LLVKDONJSA-N	406.433	4.923	50	20	HJGD	
N#C/C(=C/c1occc1Br)S(=O)(=O)c1cc(Cl)ccc1Cl	735305648	WUSGRBJFSXBGER-TWGQIWQCSA-N	407.072	4.687	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1	743820543	UZNAFKNOFNLHJL-UHFFFAOYSA-N	415.440	4.711	50	20	HJGD	
CC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)c1	744834153	MGQFAQLYWXKNGR-NDENLUEZSA-N	401.441	4.982	50	20	HJGD	
N#C/C(=C/c1cccc(-c2ccccn2)c1)C(=O)Nc1nc2ccccc2nc1Cl	747689944	BNUAFWLLAYFKOO-LGMDPLHJSA-N	411.852	4.891	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(-c2ccccc2Cl)on1	748074804	CBHLJDSBMDELDD-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1c(Cl)cccc1Cl	748584862	VNDWERKRBNDFQW-WQLSENKSSA-N	406.225	4.846	50	20	HJGD	
CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccc(C)cc3)c2)cc1	749201008	UOIHCMYAZXDLJY-UHFFFAOYSA-N	402.494	4.853	50	20	HJGD	
Cc1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1I	752811404	MKFMSVIIVNUXAN-UHFFFAOYSA-N	421.065	4.663	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1ccc2ccccc2n1	762441348	LGDIBLLGGITXAT-DYESRHJHSA-N	422.529	4.520	50	20	HJGD	
COC(=O)c1ccc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)s1	762456649	LTSAHSLGFKDWLV-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc(Cl)c(F)c1	762927514	KMIJLCOVVYLPDV-UHFFFAOYSA-N	401.849	4.925	50	20	HJGD	
CC(=O)N1CCC(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762973959	ZXWIFVQHYCJSGO-UHFFFAOYSA-N	401.401	4.724	50	20	HJGD	
CC1(C)CN(CCNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	762977823	FQYAQBARSZPBSJ-UHFFFAOYSA-N	403.417	4.576	50	20	HJGD	
O=C(NN=Cc1sccc1Br)c1ccc(Br)cc1Cl	764911382	JBZUJSJZJHBFHB-UHFFFAOYSA-N	422.529	4.690	50	20	HJGD	
O=C(NN=CC[C@H]1CCOC1)c1ccc(CSc2nc3ccccc3s2)cc1	765549181	RTHPSUQWSBVCPR-HNNXBMFYSA-N	411.552	4.731	50	20	HJGD	
N#CC1=CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)CC1	780687072	KSIUCLORUYKSSD-UHFFFAOYSA-N	415.324	4.744	50	20	HJGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(C)c(OCc3cccc(Cl)c3)c2)cc1	783348408	DJZXRVZISBJXEN-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2sccc2Cl)c(C)n1C[C@@H]1CCCO1	785908217	MADVHCNLFPNYSV-NDCSFFLDSA-N	404.919	4.649	50	20	HJGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc(Cl)cc1-c1cccc(Cl)c1	788699216	AMFQFAZUIMVVAA-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cccnc2)c(C)n1-c1cccc(Cl)c1	790095257	DBIJYDAVWGCANM-RGVLZGJSSA-N	404.901	4.708	50	20	HJGD	
COc1cc(NNC(=O)c2occc2CN2c3ccccc3C[C@H]2C)ccc1Cl	790178106	VEHFELXKQHFVND-CQSZACIVSA-N	411.889	4.650	50	20	HJGD	
COc1cc(NNC(=O)c2cc(Br)cc(OC(C)C)c2)ccc1Cl	790190235	ZFVGMQYINAOLML-UHFFFAOYSA-N	413.699	4.655	50	20	HJGD	
O=C(Cc1cccc(OCc2cccnc2)c1)NNc1cc(Cl)cc(Cl)c1	791721735	BQELLARJDAGLNU-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
CC(C)(C)c1nc2cc(NC(=O)C(=O)NNc3cc(Cl)cc(Cl)c3)ccc2o1	792437525	GWNWNNMNQDQXGT-UHFFFAOYSA-N	421.284	4.514	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F	794954377	SQXFITZADLNIBS-UHFFFAOYSA-N	421.398	4.614	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1nccnc1C(C)C	798003711	QMLBTLPEUGHQEP-UHFFFAOYSA-N	406.273	4.627	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1cnnc2ccccc12	798109911	SNCNWKBAFGZLNN-UHFFFAOYSA-N	414.252	4.657	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Cl)c(F)c3)s2)c(F)c1	800521544	FDWNSYUYLWPHPJ-UHFFFAOYSA-N	409.845	4.816	50	20	HJGD	
NC(=O)[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(F)cc1	801705644	RUBUKVYCBBCIFH-CYBMUJFWSA-N	413.343	4.831	50	20	HJGD	
Cc1cnc(Cl)c(NC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1	806449283	SIKNJBHTMNDLTN-UHFFFAOYSA-N	422.798	4.668	50	20	HJGD	
C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)CCCC[C@H]2CCSS2)C1=O	815178005	FBEBHIWTDKEVJA-FHLIZLRMSA-N	411.564	4.745	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)c(NC(N)=O)c2)c(C)n1C1CCCCC1	817213562	QYXJYPRNWLPQHT-GZTJUZNOSA-N	423.492	4.786	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1	817904829	SLHWAUCLCVAICY-UHFFFAOYSA-N	403.910	4.870	50	20	HJGD	
N#C/C(=C/c1ccccc1OC(F)F)c1nc(O)c2cc(Br)ccc2n1	914786907	TWSHGVJPELUANQ-XFFZJAGNSA-N	418.197	4.763	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cc(O)c(OC)cc2Br)cc1	915853555	LXHRVUQRUSJANT-SXGWCWSVSA-N	400.272	4.906	50	20	HJGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1	916518426	VZHIPWKBOBMTDR-OAQYLSRUSA-N	421.497	4.590	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2c(Cl)cccc2Cl)cc1Br	916661277	QIFQUXITAFKLNK-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
O=C(NCCOCC(F)(F)F)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918204156	UNPFKVHVGOBOQI-SNVBAGLBSA-N	410.767	4.606	50	20	HJGD	
CCCC1CCC(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1	919864440	DTXVTTRFLSZMNI-LTGZKZEYSA-N	415.541	4.846	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2sc(Sc3ccccc3)nc2Cl)cc1	1343871512	KJUAJUNSRMCEFF-UHFFFAOYSA-N	403.916	4.720	50	20	HJGD	
Cc1c(Cl)cccc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1785949121	BIUPWQLBGXWWLX-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Br)CCC3)cc2)cc1	1790318420	LTRPCMWHCGUQHD-OAHLLOKOSA-N	415.331	4.526	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Cl)n[nH]1	1820423026	LDLPWTDKNOAYDY-NVXWUHKLSA-N	423.344	4.777	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C(C)C)CCC2)CC1	1832488444	UQLGRRHLQAIKDO-VQTJNVASSA-N	411.030	4.840	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cc3c(s2)-c2ccccc2CC3)c(C)c1	10742769	DZDKSQZLYHMTPF-UHFFFAOYSA-N	407.564	4.762	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2)cc1	16408513	GXWKDUKQYRKIIH-QGOAFFKASA-N	415.424	4.632	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2c(c1)C[C@H](C)O2	727744168	LJIZSUOLEPHYFJ-ODYDIQAQSA-N	403.265	4.871	50	20	HJGD	
CCN(Cc1ccccc1)c1ccc(C(=O)NNc2nc(-c3ccccc3)no2)cc1	728079775	BLCZTEHMGBECOX-UHFFFAOYSA-N	413.481	4.520	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1ccc(SCc2ccccc2)cc1)c1ccccc1	731173844	ZCLCAXGRQSQSIV-UHFFFAOYSA-N	404.535	4.718	50	20	HJGD	
CCCc1c(C(=O)NNc2cccc(C(F)(F)F)c2)nnn1-c1cccc(Cl)c1	731785200	SBRUXMYJTVIPEY-UHFFFAOYSA-N	423.826	4.649	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)cc1	732175941	DGQAAYQRRGJBNI-QLENYVDCSA-N	402.416	4.758	50	20	HJGD	
O=C(CN(Cc1ccco1)c1cccc(Cl)c1)NNc1ccc(F)c(F)c1F	732284522	VBEXKRKIOXQRPV-UHFFFAOYSA-N	409.795	4.500	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC3CC3)cc2)c1C	733117715	PGVFPHVOEIOCCL-WCEBZYJUSA-N	407.514	4.647	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCSc2nccs2)c1C	733973415	IWUCSXDGXVYSCE-AQTBWJFISA-N	402.589	4.567	50	20	HJGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2ccc(-c3ccccc3OC)cc2)c1	741456477	JQHPNVNNWOOXTR-UHFFFAOYSA-N	404.466	4.533	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1cccc2ccccc12	745300399	IGQQISJRCLJNRG-CYBMUJFWSA-N	414.412	4.538	50	20	HJGD	
CCCc1c(C(=O)NNc2cc(F)c(F)c(F)c2)nnn1-c1cccc(C(C)C)c1	746703926	OKIVMYGNWVOWEL-UHFFFAOYSA-N	417.435	4.517	50	20	HJGD	
CCOCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC	747613300	WMMKISJNIHLMLR-DHDCSXOGSA-N	404.388	4.796	50	20	HJGD	
Cc1c(NNC(=O)c2cccnc2SCC2CCCCC2)cccc1[N+](=O)[O-]	748669282	BHBYBVBMVKSORO-UHFFFAOYSA-N	400.504	4.728	50	20	HJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1	748681794	VSBNHYWCCFRCKG-UHFFFAOYSA-N	402.410	4.633	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccc(OCC(F)(F)F)cc3)cs2)cc1	748704197	AWNSKIUVGJMTSG-UHFFFAOYSA-N	421.444	4.745	50	20	HJGD	
CC(C)(C)Cc1nc(-c2ccc(C(=O)NNc3cccc4cnccc34)cc2)no1	748769219	HKXKROYSFYVCLB-UHFFFAOYSA-N	401.470	4.630	50	20	HJGD	
CC[C@H](C)Oc1cc(C=NNC(=O)c2ccc(F)cc2Br)ccc1OC	749447377	RSWNSVYCJGXSKN-LBPRGKRZSA-N	423.282	4.538	50	20	HJGD	
CC(C)Nc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cn1	752807981	FBAFSRWRIOJBND-UHFFFAOYSA-N	418.122	4.728	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ccc(-c4ccccc4)nn3)o2)c(C)c1	754473302	IFHKLPHBGXVBGF-UHFFFAOYSA-N	414.465	4.689	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	755453929	DYJDNUNBUWUHEH-GUYCJALGSA-N	406.408	4.723	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)NNC(=O)c1cc(C)nc2ccccc12	758279571	SKEAPTAWKRBYBO-UHFFFAOYSA-N	420.513	4.715	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C1(c2cccc(Br)c2)CC1	761588391	JMXFYMXDXOPJFK-UHFFFAOYSA-N	415.209	4.523	50	20	HJGD	
O=C(NCc1ccc(-n2cncn2)nc1)Nc1cccc(S(F)(F)(F)(F)F)c1	762970933	QAGSRNKGUOPECW-UHFFFAOYSA-N	420.367	4.641	50	20	HJGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1Br	765612913	GJXSOJMNCVMVBF-IJXAQXDUSA-N	400.188	4.886	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c1	768696329	WQQQGEROVMUCLH-UHFFFAOYSA-N	423.807	4.506	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	771113333	PDXPRCUMWMVSQO-UHFFFAOYSA-N	404.445	4.928	50	20	HJGD	
CC(C)(C)CN(CCCO)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773236978	LHUQDZRMKFPALS-UHFFFAOYSA-N	418.428	4.540	50	20	HJGD	
CC[C@@H](CSC)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773693838	ZHFWLCLIQQGKBY-NSHDSACASA-N	406.442	4.883	50	20	HJGD	
COc1ccc(COCc2cccc(NC(=O)NNc3c(F)cccc3F)c2)cc1	775567721	FBRVTIQKSOWDOO-UHFFFAOYSA-N	413.424	4.839	50	20	HJGD	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NNc3ccc4ccccc4n3)c12	777464857	JLFHANSRWVDEHM-UHFFFAOYSA-N	413.437	4.911	50	20	HJGD	
Cc1nc(COc2cccc(C(=O)NNc3ccccc3OC(F)(F)F)c2)cs1	779200669	GHVBESODTFYGEV-UHFFFAOYSA-N	423.416	4.686	50	20	HJGD	
CC1(NC(=O)OC(C)(C)C)CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	781784091	OSBPVRLVEALLLB-OAHLLOKOSA-N	402.626	4.606	50	20	HJGD	
COC(=O)Nc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1F	783156256	GSFFHFJJXUNPRB-UHFFFAOYSA-N	408.433	4.747	50	20	HJGD	
Cc1cc(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)oc1C	783462117	ZNXWDSLBKUYMHK-UHFFFAOYSA-N	405.366	4.673	50	20	HJGD	
Cc1ccccc1C1(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC1	804206414	HJRWHYKSYLUIAM-UHFFFAOYSA-N	412.415	4.646	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	816338678	UHKBJBGQOGDVDM-UHFFFAOYSA-N	422.485	4.760	50	20	HJGD	
CCSCc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1	817014495	KRLJHBVCJXRZPI-UHFFFAOYSA-N	413.343	4.722	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c(C)noc2n1	817015860	VAADBVIFDKJVLI-UHFFFAOYSA-N	418.297	4.634	50	20	HJGD	
N#Cc1ccccc1OCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	878640414	FCQXJMWGSVGKER-MRXNPFEDSA-N	400.809	4.795	50	20	HJGD	
O=C(COc1ccc(Cl)cc1)NN=Cc1sc(Nc2ccccc2)nc1Cl	916302448	YIKQWQLKWRIRPT-UHFFFAOYSA-N	421.309	4.723	50	20	HJGD	
COc1cc(C)c([C@H](C)NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1OC	916483867	SCTPUPCZXNIEEY-IBGZPJMESA-N	419.525	4.994	50	20	HJGD	
O=C(NCc1cccc(NC(=O)C2CCCC2)c1)NNc1ccc(Cl)cc1Cl	918104233	UENWEWGERZRZKP-UHFFFAOYSA-N	421.328	4.948	50	20	HJGD	
CC(C)=CCOc1ccc(CCC(C)=NNC(=O)c2cc(Br)c[nH]2)cc1	920370643	LWKUAPHYSUZMSY-UHFFFAOYSA-N	418.335	4.861	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)[C@H](Sc2ccccc2F)c2ccccc2)nn1	1116096423	OJHYVBPBEYFGAQ-HXUWFJFHSA-N	410.518	4.890	50	20	HJGD	
CC(C)CCSc1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)cc1[N+](=O)[O-]	1318597933	YCHOOQVREPGSNF-UHFFFAOYSA-N	417.535	4.577	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cnccc34)CCC2)cc1	1790487133	SNAOIIDZAQGRHQ-NRFANRHFSA-N	421.928	5.000	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2	23724461	WJAATAUMYMANEI-AWNIVKPZSA-N	409.239	4.757	50	20	HJGD	
COC(=O)c1cc(-c2csc(NC(=O)CCCC[C@@H]3CCSS3)n2)c[nH]1	26208392	LVAGLFNQLCCKNL-GFCCVEGCSA-N	411.574	4.577	50	20	HJGD	
CCCS(=O)(=O)Nc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1C	64901210	WKETVSFIJWKGSM-HNNXBMFYSA-N	416.634	4.799	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N(C)[C@H](C)c3cc4ccccc4o3)cc2C1	109430896	BZLPGKMIRCNWPZ-UONOGXRCSA-N	411.527	4.667	50	20	HJGD	
CC(C)Cc1ccc([C@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C2CC2)cc1	726268989	KDXKPLHHYZDJKW-QHCPKHFHSA-N	416.525	4.529	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)c1C	727339922	IFHTUQLEPBBQTR-PDGQHHTCSA-N	423.517	4.803	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1occc1CSc1ccccc1	727792851	UTVSZSLMIQQWRG-UHFFFAOYSA-N	421.305	4.954	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2C(F)(F)F)nnn1-c1cccc(Cl)c1	731570185	XMFWXYKDUHDHRU-UHFFFAOYSA-N	423.826	4.649	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNC(=O)NCc2coc3ccccc23)cc1	734071376	FFCNGIZTRAFVMM-UHFFFAOYSA-N	409.486	4.536	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2cc(Cl)ccc2[N+](=O)[O-])cc1	739426870	WONCYRPKFVEHDH-MHWRWJLKSA-N	421.844	4.596	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)cc1	744723068	FLXDSMATNSVWPI-GLNPCMGASA-N	409.433	4.735	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1cccc2ccccc12	745300402	IGQQISJRCLJNRG-ZDUSSCGKSA-N	414.412	4.538	50	20	HJGD	
N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1	747151017	PFQAAPIGUXSMGC-PTNGSMBKSA-N	420.881	4.912	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	747608851	BFQXOEYQSQCJRT-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2Br)ccc1NC(=O)CC(C)C	748075027	SBNBSUFJJRCQQJ-UHFFFAOYSA-N	422.298	4.638	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	748217713	QQIMCPOVGOJUFS-VXGBXAGGSA-N	403.429	4.907	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2cccc3cnccc23)c1C(F)(F)F	748758765	AXXVPXHBNRSYQQ-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ncccc3C(F)(F)F)c2c1	752805599	JHDSGPZDLVBQSA-UHFFFAOYSA-N	400.404	4.900	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3ncco3)c2)c1C	754218826	UVJYAYGSRODHOC-IWEBCOIVSA-N	404.470	4.513	50	20	HJGD	
O=C(NN=C1CC(C(F)F)C1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	766008459	HNYNRFLOOMNREW-UHFFFAOYSA-N	400.454	4.616	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1nc(-c2cc(F)c(F)c(F)c2)no1	767989325	ZEAORBTVRNAYRD-LLVKDONJSA-N	418.462	4.911	50	20	HJGD	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H](Br)C(C)(C)C	768252593	BFZHLCNWMJOOGE-ZFWWWQNUSA-N	418.807	4.974	50	20	HJGD	
C[C@@H](OC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1nc2ccccc2n1C(F)F	769981587	IKEZCKBKUGJEHQ-YSYLPMMESA-N	413.262	4.989	50	20	HJGD	
Cc1ccc(NC(=O)NNc2nc3ccccc3s2)c(-c2nc(C3CC3)no2)c1	770059463	DUSGCOIBALCEGW-UHFFFAOYSA-N	406.471	4.681	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)c(F)c1)c1ccccc1C(F)(F)F	771691762	SSBDEUAWCMKXII-SECBINFHSA-N	405.189	4.854	50	20	HJGD	
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(F)cc1C(F)(F)F	771872308	UFZVEYDLNMZHKK-UHFFFAOYSA-N	409.166	4.680	50	20	HJGD	
O=C(NN=Cc1ccc(F)cc1C(F)(F)F)c1cc(F)ccc1Br	771883818	IYAPCPVOGOLAQR-UHFFFAOYSA-N	407.136	4.510	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2sc(-c3ccccc3C)nc2C)cc1C	773785022	NSRVLSLLDIVMOA-UHFFFAOYSA-N	410.568	4.675	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1	775614180	AGMPBPQONNYRIG-UHFFFAOYSA-N	416.268	4.789	50	20	HJGD	
CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc3ccccc3n2)c1	777463175	GPGZLZJSPYCBRR-UHFFFAOYSA-N	411.893	4.565	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(OCc2cn3ccccc3n2)c1	777479309	XGNXWCOCBNMBBB-UHFFFAOYSA-N	423.476	4.527	50	20	HJGD	
C=CC[C@@H](C(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1	779369396	YRNKSKBJCYSTLR-HSZRJFAPSA-N	420.534	4.631	50	20	HJGD	
C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNc1ccc(C(C)(C)C)cc1	780808231	BCYSRAJQHREFMW-LBPRGKRZSA-N	408.329	4.553	50	20	HJGD	
CC(=O)Nc1ccc(C(C)=NNC(=O)Nc2ccc(Br)cc2Cl)cc1	781592897	MSPZZCYLYFDOIS-UHFFFAOYSA-N	423.698	4.607	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1	784804278	GHPRTEDWJUDPLP-UHFFFAOYSA-N	407.436	4.561	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1C#N	787145685	RVVXFMXBDOLXPT-AZZDOICSSA-N	400.265	4.658	50	20	HJGD	
COc1cc(NNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl	790180373	JECQNLSWVVBQNY-UHFFFAOYSA-N	421.284	4.518	50	20	HJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2c(Br)c(C)nn2C)cc1	790600474	CCCGQZBUYIAXAW-JXCQQFQQSA-N	401.308	4.550	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNc2cc(Cl)cc(Cl)c2)c1C	791719433	XQRNAPVIYNJPFB-LLYLVAKQSA-N	421.328	4.669	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(C#N)c(Cl)c1)c1csc(-c2cccs2)n1	800535137	UGGYJCBVQCLYIN-UHFFFAOYSA-N	402.932	4.818	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc3c(s2)CSCC3)c(C)n1CC(C)C	804361131	GXJWULJVKSCGBF-LZYBPNLTSA-N	400.573	4.552	50	20	HJGD	
CN(C)C(=O)Sc1cc(NC(=O)[C@@H](Br)C(C)(C)C)ccc1Cl	805434483	PTZJLSGVGWLTGK-GFCCVEGCSA-N	407.761	4.862	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1nc2c(Br)cccc2s1	806740794	MPJRVNBVYVLRFR-UHFFFAOYSA-N	414.288	4.756	50	20	HJGD	
C[C@H]1CN(Cc2ccc(CNCc3ccc(OCCCCl)cc3)cc2)C[C@@H](C)O1	811472748	JRLAQFXHQSOTQA-BGYRXZFFSA-N	416.993	4.593	50	20	HJGD	
CC(CCc1ccc(OCCC(=O)O)cc1)=NNC(=O)c1c(Cl)cccc1Cl	814834019	XNSLKDUAQRFQOK-UHFFFAOYSA-N	423.296	4.585	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C1(Cc2cccc(F)c2)CCOCC1	815903741	DKNMHWMZLGIFAV-UHFFFAOYSA-N	415.267	4.754	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2csc(-c3ccccn3)n2)c(C)n1CC(C)C	821690855	RALGUTLRTMRAGH-GRSHGNNSSA-N	420.538	4.930	50	20	HJGD	
CCN(Cc1ccccc1C)C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	914504521	HZOQVLZHHQWEJG-AKKXDVJXSA-N	405.542	4.548	50	20	HJGD	
CCN(Cc1ccccc1C)C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	914504522	HZOQVLZHHQWEJG-BJYRUZDYSA-N	405.542	4.548	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNc2ccccc2)cc1C	915917489	AZIUASOJQGMPDV-UHFFFAOYSA-N	423.520	4.718	50	20	HJGD	
O=C(NN=Cc1c(F)cccc1Cl)c1ccccc1OCc1ccc(F)cc1	916295122	MAVFIYHMPGDMKU-UHFFFAOYSA-N	400.812	4.961	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCN(c2nc3ccccc3s2)CC1	918103092	RCIIWSCUYKAZAQ-OAHLLOKOSA-N	407.630	4.659	50	20	HJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)c1nc(O)c2cc(Br)ccc2n1	921265803	SEIPABQWPPFNSL-YHYXMXQVSA-N	402.635	4.521	50	20	HJGD	
Cc1ccc(NNC(=O)c2cnn(-c3cccc(Br)c3)c2C)cc1Cl	1326808606	BUIOOHUYXKSLCN-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@H]2OCCC[C@H]2C1	1338424809	XHLMAJDTIKGBHJ-FZMZJTMJSA-N	407.426	4.534	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)nc1C	1787168022	FUKQURYCCXBJJV-UHFFFAOYSA-N	413.949	4.711	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccc(Cl)s1	1787327607	BOMUYLQBLZIRRO-CQSZACIVSA-N	401.290	4.684	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(F)c3)CCC2)cc1	1790484984	ZRNVWFCQZYHGRU-QGZVFWFLSA-N	418.896	4.599	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)s3)CCC2)cc1	1790487605	FWGMPDGGLPXYIX-OAHLLOKOSA-N	406.935	4.522	50	20	HJGD	
Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c1	1824014346	LKWWORUPHVTBOC-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
N#C/C(=C\c1ccccc1OCc1ccccc1)c1nc(N)nc(Nc2ccccc2)n1	11296605	WWLFEPSWSFZQEP-HMMYKYKNSA-N	420.476	4.841	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	58607806	DHDZHEXKWHMVLN-XFFZJAGNSA-N	420.321	4.578	50	20	HJGD	
O=C(NCCOc1ccccc1-c1ccccc1)NNc1ccc(OC(F)F)cc1	726708751	LURIKGOGZNKZPG-UHFFFAOYSA-N	413.424	4.660	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H](c1ccc(Cl)cc1)C1CCC1	729233238	ZAGFNZKGIQMMCZ-PBVNKPPYSA-N	415.965	4.728	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccc(F)cc2)cc1F	729967461	PHUIHJOBDAANTB-UHFFFAOYSA-N	403.772	4.950	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)OC(C)(C)C	742547171	YCQNNMWYNPYCGN-UHFFFAOYSA-N	420.853	4.661	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cc(C)n(-c3nccs3)c2C)c1	744597748	ZLHMKPYAVONFCM-UHFFFAOYSA-N	410.543	4.512	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1O[C@@H](C)C(=O)N(C)C	747440733	UEEWFPBQFDLCEV-ADFUCPMPSA-N	413.543	4.585	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(COc3cccc(Br)c3)o2)c1	748417055	SWULAXJWDGSPBT-UHFFFAOYSA-N	415.287	4.995	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cc2c(s1)CCC2	749305577	ODYFVZDPLJHOJN-UHFFFAOYSA-N	419.881	4.540	50	20	HJGD	
O=C(NC1CCC(C(=O)NN(c2ccccc2)c2ccccc2)CC1)C1CCCC1	751041273	YNGBVURUNJRGOJ-UHFFFAOYSA-N	405.542	4.721	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	751351907	MHLNGUMCOSLMHC-HLASGMPESA-N	417.815	4.840	50	20	HJGD	
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752978029	RPJWHRPEPFAKTJ-NWDGAFQWSA-N	422.441	4.821	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(CCC(F)(F)F)c2)c1C	753699679	RABJWEZXPKSBQC-CPNJWEJPSA-N	419.447	4.792	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cc(-c2ccncc2)nc2ccccc12	754467481	NCQSDDSLLRYMGZ-UHFFFAOYSA-N	418.460	4.511	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1cccc(-c2c(F)cccc2F)c1	757887637	WXCFHUVHMOBAMQ-UHFFFAOYSA-N	404.214	4.546	50	20	HJGD	
CCc1onc(C)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C	760078071	HKPVHTOJZYJWMG-LDADJPATSA-N	404.470	4.507	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC3(CC2)OCc2ccccc23)c(C)n1CC(C)C	760097489	PSQGFYIPUAXIJX-OEAKJJBVSA-N	417.553	4.716	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(F)ccc2OC(F)F)c1C	760158205	GBTKXBZWUBLWIL-KHAFMBKQSA-N	421.419	4.599	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2OCC#N)c(C)n1CCC(C)C	760785996	KFYMZCIDZLYOPC-UNOMPAQXSA-N	408.477	4.738	50	20	HJGD	
CN1CCN(c2ccc(/C=C(/C#N)C(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1	771521586	TZLRYVYRGPGTEN-YVLHZVERSA-N	400.309	4.535	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccnc(Br)c3)c(F)c2)cc1	771537858	QUZDDULKXAUQRK-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
Cn1cc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c(-c2ccccc2)n1	771550282	MDHCRMDQQPICFJ-UHFFFAOYSA-N	404.470	4.719	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)c(F)c1)c1ccc(Br)cc1	771678555	HWNUNPBEGKSIMG-SECBINFHSA-N	416.088	4.598	50	20	HJGD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NNc2ncnc3ccsc23)cc1	772718787	VNJQMIWJGRMAFX-UHFFFAOYSA-N	417.498	4.930	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[C@@H]1CCSS1	782558312	JXUCRGDFARBTFM-IXDOHACOSA-N	414.637	4.701	50	20	HJGD	
Cc1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c(N(C)C)n1	782933328	HKDLKAZARNCGTO-UHFFFAOYSA-N	417.425	4.914	50	20	HJGD	
C[C@@H]1CCC[C@H](C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783462899	KTBYKVNSFTXUJN-MNOVXSKESA-N	407.426	4.975	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1F	783469192	KBIVOIXDIZMQKM-UHFFFAOYSA-N	405.341	4.602	50	20	HJGD	
COCCCn1ccc(NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n1	787383281	BOTYIWUCIVAUTE-AWEZNQCLSA-N	422.860	4.783	50	20	HJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccncc2)cc1	788349405	JAKRPNIRTLBBKX-LTGZKZEYSA-N	424.508	4.747	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1	800540532	JDGTXYCOHRRMBG-LICLKQGHSA-N	415.415	4.509	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1	805373398	QHVVILWGSJQNJG-UHFFFAOYSA-N	416.459	4.603	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@@H](c1ccccc1)c1cc2ccccc2o1	806351852	SXINPTUIIJWEIE-QHCPKHFHSA-N	424.460	4.690	50	20	HJGD	
Cc1noc([C@@H]2CCCCN2C(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)n1	807756076	KOQPGYATWUGWJJ-MSTPFNHUSA-N	409.534	4.503	50	20	HJGD	
COc1ccc(NNC(=O)CCCc2ncc(-c3ccccc3)o2)c(C(F)(F)F)c1	816702885	GENXKOPOIRQWJA-UHFFFAOYSA-N	419.403	4.835	50	20	HJGD	
Cc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)cnn1-c1ccc(Cl)cc1	825111898	SZTROJWWADIFDI-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2coc(-c3ccc(OC)cc3)n2)c1C	829568797	MTRNNORWELDDFU-NDENLUEZSA-N	419.481	4.829	50	20	HJGD	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cc(C)ccc2C)c1	857831191	YSGUGZFHERMBHV-UHFFFAOYSA-N	412.493	4.922	50	20	HJGD	
N#C/C(=C\c1ccc(CSC(F)F)o1)C(=O)Nc1nc2ccccc2nc1Cl	915851870	DUQAXSVPPFICQL-JXMROGBWSA-N	420.828	4.878	50	20	HJGD	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1	915861940	GTLKVBLWAOZCSC-FXBPSFAMSA-N	419.525	4.893	50	20	HJGD	
CCCOc1ccc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1	916289344	BNJFZSBKJKXGDL-UHFFFAOYSA-N	410.477	4.850	50	20	HJGD	
CCCCCC(=NNC(=O)Cc1nc(O)c2c(C)c(C)sc2n1)c1ccccc1	916321930	GILIKRNARLBTGO-UHFFFAOYSA-N	410.543	4.657	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2Br)c1C	916401400	QLNCOMSEKWUQQQ-OQLLNIDSSA-N	404.283	4.962	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)c(C)c1	917863995	BUZOZIXZBRZLQA-PKIWBCANSA-N	409.530	4.955	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1C	918595478	RKUIGNVACWDZKP-MHWRWJLKSA-N	415.881	4.517	50	20	HJGD	
O=C(NCCc1cccs1)NN=Cc1sc(Oc2ccccc2)nc1Cl	920830720	KYBQMPBQMRSACR-UHFFFAOYSA-N	406.920	4.526	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)(F)F)cc2)c1C	1317905571	XDEWBASTGIBFKX-WJDWOHSUSA-N	423.460	4.909	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)nn1	1318589768	RKWXDYIKMPSYPA-NHCUHLMSSA-N	416.525	4.600	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3cc(-c4ccccc4)on3)o2)c1C	1322521743	NGVMMHNDILIXGB-XDHOZWIPSA-N	415.453	4.521	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)nn1	1323116094	WOXYBDGZCLHBGA-UHFFFAOYSA-N	421.888	4.848	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)c3ccsc3)cc2)CCC1	1787286394	UZTVQKNSPAAISF-INIZCTEOSA-N	421.360	4.669	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4[nH]ccc4s3)CCC2)cc1	1790487178	UAHZQKDBLFJPTI-HNNXBMFYSA-N	415.946	4.995	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)cc1O	1790609420	QTSFMNRWYATQTQ-UHFFFAOYSA-N	414.933	4.713	50	20	HJGD	
C[C@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc2)CCC1	1791970980	ARDKUSULYUPVSJ-JYJNAYRXSA-N	421.379	4.730	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2ccccc2)CC1	1830315024	UEFJJMLYQUSTMA-COPCDDAFSA-N	419.009	4.502	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2ccccc2)CC1	1830315026	UEFJJMLYQUSTMA-YUXAGFNASA-N	419.009	4.502	50	20	HJGD	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccc(COc3ccccc3)o1)C(O)=N2	6957430	AHJVSDDXSIFLMQ-UHFFFAOYSA-N	403.438	4.718	50	20	HJGD	
Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)CCCC[C@@H]1CCSS1	18970597	BAAHSIQPWIKRLS-GOSISDBHSA-N	422.616	4.791	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)CCCc1ccccc1	727689634	XEPMRRNLLXMSAQ-UHFFFAOYSA-N	415.324	4.961	50	20	HJGD	
Cc1nonc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	727712948	SMTSWJQGXHHRJS-ZSOIEALJSA-N	416.268	4.638	50	20	HJGD	
CC(=O)Nc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	727714485	DXEWPTFKHDBBRB-FYJGNVAPSA-N	406.530	4.964	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)c1ccc(CSc2ccccc2)cc1	727717166	YBSKBJNGNBLVCV-UHFFFAOYSA-N	404.535	4.763	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)c2c(c1)C[C@@H](C)O2	730436283	HOLCTBPSSSERNX-KUKWCLJQSA-N	404.285	4.632	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCS[C@@H](c3ccccc3)C2)c1C	735455001	ZYDHAPYWNBAHRR-QQQSUWHHSA-N	423.582	4.536	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cc2occc2s1	736667184	MMLABBMFXHKHOD-UHFFFAOYSA-N	419.837	4.798	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ncccc1Cl)c(C)n2Cc1ccccc1	738540352	KXTHCFHMWGOHAL-UHFFFAOYSA-N	420.900	4.812	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(CCC#N)Cc2cccnc2)c1C	741937169	SDINBXZSHVPOPS-IWIPYMOSSA-N	423.520	4.647	50	20	HJGD	
CC/C(=C/C(=O)NNC(=S)Nc1cccc(Br)c1)c1ccc(C)cc1	743820318	CANSYXAWDXCDPV-KAMYIIQDSA-N	418.360	4.569	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)CCc2cccc(C(F)(F)F)c2)o1	746493498	CGIPHCDYKLZTHS-UHFFFAOYSA-N	409.452	4.879	50	20	HJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3oc(C(C)C)nc3C#N)c2c1	746525601	SWZWBXYFOKCBFU-UHFFFAOYSA-N	411.465	4.950	50	20	HJGD	
Cc1cccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)c2ccc(C#N)cc2)c1	747051699	UVGDDKCLFFOZIN-UHFFFAOYSA-N	419.488	4.542	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccc(Br)c(Cl)c1	748076639	KLHRSNRLRMQFFC-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cnc(-c2ccccc2F)s1	748201157	MGXUUVVYUPPMAB-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
CCn1ncc2c(C(=O)NNc3ccc(Cl)c(F)c3)cc(-c3ccccc3)nc21	748878803	STTGOCHPFQTNKS-UHFFFAOYSA-N	409.852	4.668	50	20	HJGD	
O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	752993668	AKNLQOJVWVGQPW-ROUUACIJSA-N	414.637	4.750	50	20	HJGD	
COc1cc(Cl)c(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1Cl	753923424	HIWRJLDQKYJPMC-UHFFFAOYSA-N	420.321	4.818	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3cc(C(F)(F)F)ccc3F)cs2)cc1	754149309	VWMOODXOJWTWGJ-UHFFFAOYSA-N	411.380	4.734	50	20	HJGD	
O=C(NN=Cc1ccc(OCC(F)(F)F)c(F)c1)c1c(Cl)cccc1Cl	758106409	DZVPJUOTFUXSQO-UHFFFAOYSA-N	409.166	4.838	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3nc(O)c4ccccc4n3)c3ccccc3n2)cc1	758308145	VZRMRRKOASJLDT-UHFFFAOYSA-N	421.460	4.616	50	20	HJGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1	762408146	AUPRTZVNWRDVIZ-SNVBAGLBSA-N	409.380	4.882	50	20	HJGD	
CCC(CC)=NNC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1	764745463	MQBRBEPFMPXVNV-UHFFFAOYSA-N	415.009	4.868	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Br)cc1[N+](=O)[O-]	767717805	OGNWDVNBTJBTBW-GHXNOFRVSA-N	420.650	4.865	50	20	HJGD	
Cc1cccc(-c2cncc(C(=O)NNc3ccc(Br)c(F)c3)c2)c1	771679026	OKSLIHTZRYKHIR-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1	771706319	GVTKMJHJXJICAM-UHFFFAOYSA-N	406.486	4.831	50	20	HJGD	
CCCN(C(=O)c1ccccc1NC(=O)NNc1ccc2ccccc2n1)C(C)C	775680046	KXORSWPBQGGHRP-UHFFFAOYSA-N	405.502	4.644	50	20	HJGD	
CSc1cc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)ccn1	778054169	ICZUHWAQXDUJQW-UHFFFAOYSA-N	420.450	4.939	50	20	HJGD	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c([N+](=O)[O-])cc1OCC(F)F	778518044	CJSJWKOCOVOCNA-NSIKDUERSA-N	419.340	4.528	50	20	HJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccccc1OC(F)(F)F	779207396	VAGCXSZYPSWLJG-UHFFFAOYSA-N	415.393	4.752	50	20	HJGD	
CCOc1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc1Cl	782820219	ALRRIQUXWFDNRF-UHFFFAOYSA-N	409.873	4.547	50	20	HJGD	
Cc1ncc(CN(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)s1	782983281	MUTHWQXMGZCHBM-UHFFFAOYSA-N	408.439	4.930	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2c2cccnc2)c(C)n1-c1ccccc1F	783671046	CFHPSWHEIYECKA-LJJBLSSYSA-N	414.484	4.899	50	20	HJGD	
O=C(NNc1cccc2cnccc12)C1(Cc2ccc(OC(F)(F)F)cc2)CC1	784448515	MNNWSYPNVRWUJJ-UHFFFAOYSA-N	401.388	4.599	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1ccc(Oc2cccc(F)c2F)nc1	786099377	VWKKTTQANIPZCS-UHFFFAOYSA-N	410.302	4.718	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccc(Cl)nc2C(F)(F)F)cc1	787604072	DAZUMYNGTIYISE-ZROIWOOFSA-N	410.779	4.803	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3c(-c4ccccc4C)noc3C)c(C)cc2c1	793783010	VOFVCZUGIRVBJY-UHFFFAOYSA-N	402.454	4.581	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc1	794040140	CPRHGIDNYRHKQF-CAPFRKAQSA-N	414.509	4.514	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc(Br)c1O	794886053	XZQYCBUYQWWJNR-PXNMLYILSA-N	423.266	4.891	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c1C	799426501	IWZKDWRGJPJGCZ-ZDLGFXPLSA-N	413.905	4.566	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cc(Br)cc(Br)c3)nc12	809154493	WQRKIMXWDBNHDC-NYYWCZLTSA-N	418.092	4.856	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1	811627424	AYVXLOPHVAIEOD-LLUUXILJSA-N	420.252	4.695	50	20	HJGD	
CCCOc1ccc(C(=O)NN=C2CC[C@H](c3ccccc3)C[C@H]2OC)cc1OC	814755721	TYHRBINEPLUPMO-PGRDOPGGSA-N	410.514	4.553	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1nc2cc(Br)ccc2o1	816629394	KUTKXHPMWUDYQF-LBPRGKRZSA-N	415.378	4.921	50	20	HJGD	
CC(=O)NCc1ccc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cc1	878642786	ZPHCPYUOZVIRLT-QGZVFWFLSA-N	416.852	4.794	50	20	HJGD	
CCOc1ccc(N(CC)C(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)cc1	914520102	WMSHUVQAIXCXRH-ALDSOSFCSA-N	409.530	4.671	50	20	HJGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	915934874	LGMCLJYZDCQTCJ-UHFFFAOYSA-N	403.873	4.659	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cc(Br)ccc1F	916336915	SLBHNOGGMRIYQD-ZDUSSCGKSA-N	415.262	4.659	50	20	HJGD	
COc1ccc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)cc1OCC(C)C	916349558	PZVLXPRPIXMPSI-UHFFFAOYSA-N	423.538	4.926	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1c(C)nn(-c2ccc(Cl)cc2)c1C	917543023	CDHFWKDWJGJDEN-UHFFFAOYSA-N	417.296	4.568	50	20	HJGD	
Cc1ccc(CNC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)c1	918228381	VPJPIRBWRSOTHA-UHFFFAOYSA-N	424.504	4.663	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)Cn2ccnc2)c(C)n1-c1cccc2ccccc12	919842302	CHWBTKYVKVKIMR-NLKUQUHMSA-N	423.520	4.556	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ncccc34)CCC2)cc1	1790486501	BXFDZPLYSXPLRB-HXUWFJFHSA-N	421.928	5.000	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](Cl)CCC)CC1	1824139094	FHYULKIHUVELLG-SFTDATJTSA-N	409.014	4.782	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccccc3Cl)o2)cc1	15429383	SXVVOROAEUBVSK-UHFFFAOYSA-N	415.902	4.630	50	20	HJGD	
O=C(CCCc1ccc(Cl)cc1)NNC(=O)COc1ccccc1-c1ccccc1	107839917	NLDAPRXFHQWVHH-UHFFFAOYSA-N	422.912	4.556	50	20	HJGD	
O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1cnccn1	254432230	JZFMTCWQYGJIJX-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	728696327	QVPCUMQWBHRVAR-OJNRTJSBSA-N	402.479	4.631	50	20	HJGD	
O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NNc1ncccc1Cl	734246586	ILQFDFKMAZBUDW-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
O=C(COc1cc(Cl)c(Cl)cc1Cl)NNc1ncccc1C(F)(F)F	740099718	ABHMWCWDISDKDJ-UHFFFAOYSA-N	414.598	4.583	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OCC2CC2)c(C)n1C[C@H]1CCCO1	740808736	IYIVAGTWOVZXIB-WCCCRJGXSA-N	419.525	4.618	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	741662374	HKVARFLIMLVEPS-UHFFFAOYSA-N	416.264	4.564	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1	743300905	NBBWILUBMYQYPG-SJORKVTESA-N	424.353	4.513	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cc1)c1cccs1	747587961	BKSURRULECKKJZ-UHFFFAOYSA-N	405.401	4.776	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NNc1cccc([N+](=O)[O-])c1	748004851	RQMZMMREHQEISU-UHFFFAOYSA-N	421.240	4.633	50	20	HJGD	
COc1cc(C(=O)NNc2ccccc2F)ccc1OCc1ccccc1Cl	748057261	MTNFUXRERPCMAG-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccn(-c2ccc(F)cc2)n1	748669762	LVEQPXQODKBCEH-UHFFFAOYSA-N	408.502	4.891	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1	748737182	RRNMWRVWULCCNM-UHFFFAOYSA-N	418.335	4.807	50	20	HJGD	
CO[C@H](C)c1nc(CNC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cs1	753057108	ORUGATIBXLWHNX-SSDOTTSWSA-N	409.726	4.637	50	20	HJGD	
C[C@@H](C#N)CSc1ccccc1NC(=O)NNC(=O)c1cccc2ccccc12	756479885	ORPUQGZGKNRUKQ-HNNXBMFYSA-N	404.495	4.558	50	20	HJGD	
CCn1cc(C(=O)NNc2cc(Cl)ccc2Cl)c(=O)c2cc(Cl)ccc21	758299562	CHEWUYPYGJQHGP-UHFFFAOYSA-N	410.688	4.739	50	20	HJGD	
O=C(NCc1csc(-c2ccco2)n1)NNc1nc(Cl)c(Cl)cc1Cl	764374964	SVUAHGNCYKMHCL-UHFFFAOYSA-N	418.693	4.585	50	20	HJGD	
COc1ccc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	764420620	LXDXVGXXOSXPBA-SSPRZHTQSA-N	408.498	4.504	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)c(-c2cccs2)n1	769550861	IOTOFJROKZPXRU-JXMROGBWSA-N	404.314	4.762	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2c(F)cccc2Cl)s1	770198350	PPPYDAZGDPUUIS-UHFFFAOYSA-N	404.854	4.942	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1cccc(CSCc2ccccc2)c1	770824171	SIUGHYZVUJASFX-UHFFFAOYSA-N	423.513	4.649	50	20	HJGD	
C[C@H](CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)Oc1ccccc1	773251012	HEWKIRGVLAQOES-GFCCVEGCSA-N	424.391	4.866	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccccc1C(=O)c1ccc(F)cc1	775265050	YKCIEZANDMUAJV-UHFFFAOYSA-N	404.228	4.515	50	20	HJGD	
Cc1ccc(C(=O)NNc2nc3ccccc3cc2C)cc1NC(=O)OC(C)(C)C	777477827	XQVGPUVXVBYAHE-UHFFFAOYSA-N	406.486	4.956	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1	781097477	GMQGPAVAFIDTON-QGZVFWFLSA-N	421.310	4.504	50	20	HJGD	
Cc1nc2cc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)ccc2s1	781199910	HOLFHPKXGZJBDA-CYEGBWLXSA-N	420.538	4.748	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3sccc3Cl)cc2)n1	782114995	WFYMCUKWHZLSQL-UHFFFAOYSA-N	416.959	4.865	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-c2ccc(Br)s2)s1	782851906	XQGFXJSSQQSEEF-UHFFFAOYSA-N	419.329	4.872	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	785202273	SAWIUZAANIXYCV-PUZDAVHHSA-N	408.317	4.758	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)ccc21	787326389	OGSKNROMVUFJJU-AQTBWJFISA-N	419.481	4.626	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1	787531000	VHNDMJCIUMKQTG-IVWUANMUSA-N	415.262	4.564	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccccc1COCc1ccccc1	790489193	DATYBZDEISPJNQ-UHFFFAOYSA-N	410.405	4.599	50	20	HJGD	
O=C(O)c1cccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	790614382	ZSXYDCIKVYDORT-UHFFFAOYSA-N	417.377	4.521	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Oc1ccncc1	801102124	CMHJGIORMXDFIO-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl	801647723	NOYCHWYQEDCGOS-NTEUORMPSA-N	412.280	4.737	50	20	HJGD	
C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccsc1	802585661	LHIXRPFGGHFPOH-BJOHPYRUSA-N	422.881	4.783	50	20	HJGD	
CSC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	815754353	LBTLYKZVCYSXKJ-LLVKDONJSA-N	418.453	4.884	50	20	HJGD	
COC(=O)Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1	863900936	PDAJAAYETONPRW-QNGOZBTKSA-N	419.525	4.871	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c(C)n1C[C@H]1CCCO1	903141538	OXSVZQANDDRFDI-WAFWZSCLSA-N	412.559	4.584	50	20	HJGD	
Cc1nc(CC(=O)NN=Cc2ccc(-c3ccccc3Br)s2)cs1	912794701	PYPNNVTYVNRWPR-UHFFFAOYSA-N	420.357	4.635	50	20	HJGD	
CC(=NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1cc2cc(Cl)ccc2o1	916317802	GZJBGJRLENULBF-UHFFFAOYSA-N	422.872	4.531	50	20	HJGD	
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cccc(OC)c1	916596761	IDDKQWUCRDPUGO-WCAHNUQUSA-N	406.482	4.686	50	20	HJGD	
COc1cc(C(=O)NN=Cc2cnc(C(C)(C)C)s2)ccc1OCCC(C)C	920366148	IMARMZSQCUMAFC-UHFFFAOYSA-N	403.548	4.638	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccccc2C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1	920475298	DMUZMBITMXLVPR-UHFFFAOYSA-N	424.844	4.566	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccc(Br)cc3)cs2)cc1	932522099	ANGAOYKLPGZAEC-UHFFFAOYSA-N	402.317	4.567	50	20	HJGD	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCBr)CCC2)cc1	1785840949	RCDOHTLQJJCTDI-UHFFFAOYSA-N	421.379	4.898	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1	1786444667	JQOLJRIJNGSMTQ-GOSISDBHSA-N	420.340	4.890	50	20	HJGD	
CCCCC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](Cl)COC)cc2)CCC1	1791571743	JTZBCFKATJKHRG-VQIMIIECSA-N	408.970	4.591	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C3CC3)cc2)n[nH]1	1821306538	KGFTWRTYXHMIJX-HKUYNNGSSA-N	414.937	4.610	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1824612289	WSOVPCAOPDIHHQ-VXKWHMMOSA-N	419.009	4.646	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccccc3)c2Cl)cc1	16437259	KAJIFPSHEFOJJP-QGOAFFKASA-N	420.900	4.838	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1	727865271	NSFLWZUTGZCPCM-UHFFFAOYSA-N	414.962	4.724	50	20	HJGD	
CCn1c(C)cc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1C	728224939	DYKYKRRBYCJNNT-UHFFFAOYSA-N	411.509	4.741	50	20	HJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1ccnc2ccccc12	731313077	WFTHMUCOYOCUDR-UHFFFAOYSA-N	402.281	4.851	50	20	HJGD	
Cc1cccc([C@H](C)C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1	740085706	ODYUFILELXOZQD-NSHDSACASA-N	415.868	4.789	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2ccncc2)c(C)n1-c1ccccc1F	743723379	ROPGVECVLNNJGI-XESZTULISA-N	402.473	4.755	50	20	HJGD	
CC[C@@H](NC(=O)NNc1c(Cl)cc(Br)cc1Cl)c1ccncc1	745836146	KMIRKHWQEPGOSX-CYBMUJFWSA-N	418.122	4.928	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1C	746357418	DIWAIYNRUFNPBR-OVCLIPMQSA-N	410.465	4.556	50	20	HJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	747034905	ZJDFWEBIWGFGDR-NTUHNPAUSA-N	404.221	4.933	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n(CCC#N)n1	748637997	AZSLGUYUXNYPNB-XSFVSMFZSA-N	404.518	4.574	50	20	HJGD	
Cc1c(NC(=O)CCCC[C@H]2CCSS2)cccc1C(=O)N1CCSCC1	748773715	IBAYCWJVGJDGDV-INIZCTEOSA-N	424.657	4.837	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3c(C)noc3C)c2C)cc1	754751828	CYTDMQLHRMSZNC-NDENLUEZSA-N	419.481	4.748	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1	759311309	MOBNSFIRFUEWON-UHFFFAOYSA-N	418.424	4.673	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](c2c(C)nn(C)c2C)C(F)(F)F)c1C	760781618	PCAICTRBQLORKU-RPXHZFJKSA-N	422.451	4.619	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NNc1c(Cl)cc(F)cc1Cl	767407228	MGXBGEPSFDQIBG-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)C2CCC(C(F)(F)F)CC2)cc1	768178531	AKOINBJOHLHDIZ-UHFFFAOYSA-N	401.498	4.716	50	20	HJGD	
CC(C)(C)Cc1nc2cc(NC(=O)NNc3ccnc(Br)c3)ccc2o1	771145707	XWJPGDDADLCWCK-UHFFFAOYSA-N	418.295	4.723	50	20	HJGD	
O=C(NCc1ccco1)Nc1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1	771158180	RKHNTSBBHXYVFB-UHFFFAOYSA-N	417.828	4.542	50	20	HJGD	
CSc1cc(/C(C#N)=C/c2ccc(Br)c(Br)c2)ncn1	773176978	SFWGIENOLBALOH-ONNFQVAWSA-N	411.122	4.788	50	20	HJGD	
CS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773332994	IRARWCRAIVUVPD-MNOVXSKESA-N	404.426	4.683	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(C)C3CCSCC3)cc2)cc1	777421414	VJWFWTZXIUGPPP-UHFFFAOYSA-N	412.555	4.913	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(N2CCc3ccccc3C2)cc1	777482142	AWNZIAZJTZAMIU-UHFFFAOYSA-N	408.505	4.863	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)c(C)cc2c1	778481210	APCUPTUDZGXZPA-UHFFFAOYSA-N	422.485	4.656	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cccnc3Sc3ccccc3)c(C)cc2c1	778481944	LHOAOGIILPFVSB-UHFFFAOYSA-N	416.506	4.855	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1	781362764	BFDJRVRPOUJMRO-UHFFFAOYSA-N	404.228	4.515	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1	781365422	MIJNUTBDBJCRGU-UHFFFAOYSA-N	421.863	4.543	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	782197355	KHUGDMVNIVWOHX-ZROIWOOFSA-N	420.271	4.515	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c(Br)c1	782820251	BJYYDACXFXZHPM-UHFFFAOYSA-N	424.298	4.566	50	20	HJGD	
COc1cc(NNC(=O)Nc2nc(-c3cccc(Cl)c3)ns2)ccc1Cl	788663675	QMCXSYBWVLLSMD-UHFFFAOYSA-N	410.286	4.669	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1C	790080395	WLZOGZTUFQNMAH-HMAPJEAMSA-N	411.505	4.868	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c(OC2CCCC2)c1	791066795	KYELJWPSGNKIDX-UHFFFAOYSA-N	417.437	4.601	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	793085657	OUUVUXARFNSOEE-UHFFFAOYSA-N	420.853	4.661	50	20	HJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1	794875176	NJAJLEFBMDCZIU-UKTHLTGXSA-N	403.310	4.959	50	20	HJGD	
CC(CCc1ccc(C(F)(F)F)cc1)=NNC(=O)c1cc(Br)c[nH]1	800809664	UJOLDOWSMZIBFM-UHFFFAOYSA-N	402.214	4.535	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCCC[C@H]2CCSS2)C(C)(C)C1	801512319	INECWQYKKIIKRY-HOTGVXAUSA-N	416.653	4.852	50	20	HJGD	
CC(C)[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1(CO)CCC1	813721088	OAGWYPARVMGDGX-CQSZACIVSA-N	423.469	4.810	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)ccc1[N+](=O)[O-]	817013775	CDNRLJKGTHJTRI-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C	817014640	RFRQURGMQKUMSZ-NOZJJQNGSA-N	410.358	4.809	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c1	857500768	YONWCFVVVLXEGY-IBGZPJMESA-N	422.356	4.898	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3nc(O)ccc32)c(C)n1C1CCCCC1	904159142	LLWCNEDNFJGQLA-CMYVBNMBSA-N	418.541	4.812	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccnc(Oc3ccccc3)c2)c1C	915628455	LYMTUITYDCQRBU-PXLXIMEGSA-N	414.509	4.926	50	20	HJGD	
CC[C@@H](C)C(=O)NN=Cc1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl	915974051	IJJSUGJHVJDRPV-SNVBAGLBSA-N	401.725	4.696	50	20	HJGD	
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(N2CCCCC2)s1	916254365	DIERZLLIEWAJEE-UHFFFAOYSA-N	412.342	4.574	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1CCN2CCCC[C@@H]12	918215316	BWWOZEQVFPFVIO-WHOFXGATSA-N	407.889	4.654	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(OCC(F)(F)F)c2)c1C	918580823	WDRJVLBJYAJFEW-YBFXNURJSA-N	419.447	4.679	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(C(=O)c3cccs3)CC2)c1C	1319134113	AEILXZZWFFAVNS-RCCKNPSSSA-N	423.582	4.995	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	1324883001	MJVWOVZKPXRJIV-UHFFFAOYSA-N	408.763	4.694	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)n(C)c3C)CCC2)cc1	1786445103	RWUWACCOEHHKTL-HXUWFJFHSA-N	415.965	4.797	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CCC1	1786914747	DBBXZNKGUDJGLU-XTXLJPNXSA-N	421.324	4.663	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C3(c4ccc(F)cc4)CC3)CCC2)cc1)[C@@H](F)Cl	1788582247	HKFPIKBWLZTBEL-GOSISDBHSA-N	418.871	4.526	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccc2cnccc2c1	1788585230	WNIWBDOLJGOGBP-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)cc1C	1790283475	SLBTVESFTCSVLW-UHFFFAOYSA-N	424.617	4.903	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2C)c1C	23974292	XAMZBOQYVNSUOC-KNGGAZFVSA-N	407.514	4.691	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc([C@H](C)O)cc2)c(C)n1-c1ccc(F)cc1	726193156	JWKWMUWLZLGCRC-ZFJBLLOBSA-N	417.484	4.510	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(-c2ccccc2Cl)on1	727172341	YRMCDJGVKRDFFE-UHFFFAOYSA-N	414.918	4.750	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1csc2ccccc12	730030317	MLPHKVKFTLNMFH-OAHLLOKOSA-N	403.507	4.689	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1	733919538	HTOYLQCLBPBUEX-UHFFFAOYSA-N	420.916	4.649	50	20	HJGD	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)NNc1nccc2sccc12	734250410	UQKUAVDCZNQRAM-UHFFFAOYSA-N	415.316	4.534	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1[nH]c2ccc(Br)cc2c1Cl	734553439	KSWZIBJMWHDWKM-UHFFFAOYSA-N	418.600	4.758	50	20	HJGD	
COc1cc(C(C)=NNC(=O)CNc2ccc(C)cc2C)ccc1SC(F)F	746488265	FSQHBWZZKIOSBE-UHFFFAOYSA-N	407.486	4.579	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc(Cl)c(F)c3)c2C(F)(F)F)cc1	746696857	AGPSUZUTOUZEHC-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2csc(-c3ccc(F)cc3)n2)cc1C(F)(F)F	746895921	LFOVKSMNTKMCOC-UHFFFAOYSA-N	406.364	4.597	50	20	HJGD	
Cc1nc(COc2ccccc2C(=O)NNc2cccc(C(F)(F)F)c2)cs1	747405817	NDLQDZMGVPMZPS-UHFFFAOYSA-N	407.417	4.806	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl	748585144	ZYDBPNRMZOEHDC-KPKJPENVSA-N	406.225	4.846	50	20	HJGD	
CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	750044750	JQALSUIXKIWRJP-SSDVNMTOSA-N	405.433	4.553	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccsc2)c2ccccc2)c1C	751180747	WJPZOBOOEDPFMV-HMAPJEAMSA-N	419.550	4.953	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cccn1Cc1cccs1	753177423	YQCCEEFMEISIJV-UHFFFAOYSA-N	404.333	4.680	50	20	HJGD	
C/C(=C/C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1OC(F)F	753306940	HZDPDXAJGQEYTF-KHPPLWFESA-N	420.803	4.538	50	20	HJGD	
O=C(NNC(=O)c1ccccc1F)Nc1ccccc1S[C@H](Cl)C(F)(F)F	755612820	DOTOIKVEAVNGCT-AWEZNQCLSA-N	421.803	4.512	50	20	HJGD	
Cc1coc(-c2cc(NC(=O)NNC(=O)Cc3cccc4ccccc34)ccc2C)n1	757707883	CDFGLCSXEJFSFF-UHFFFAOYSA-N	414.465	4.507	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NNc2c(Cl)cc(F)cc2Cl)C1	767407683	XFYSHALYUBRRDB-LLVKDONJSA-N	420.312	4.613	50	20	HJGD	
O=C(Cc1csc2nc(-c3ccccc3)cn12)NNc1c(F)cccc1Cl	770198000	NMMORRPVHRCHCR-UHFFFAOYSA-N	400.866	4.541	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)c1	771036293	WYBIMMBCYGKBDF-UHFFFAOYSA-N	421.501	4.669	50	20	HJGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2ccc(Br)c(F)c2)c1C1CC1	771174659	AQYOGRUXWXSLGG-SNVBAGLBSA-N	410.291	4.782	50	20	HJGD	
C[C@H](c1ccccc1)n1ccc(NC(=O)NNc2ccc(Br)c(F)c2)n1	771177810	IKSRICWANCYQEM-GFCCVEGCSA-N	418.270	4.543	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ncc(Cl)cc1Cl	775276567	LPKDSDKWOJFOAQ-UHFFFAOYSA-N	415.639	4.901	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NNc1ccc(C#N)cc1	775789382	DANVLBJSBRRZMB-UHFFFAOYSA-N	419.872	4.921	50	20	HJGD	
COc1ccccc1-c1cc(C(=O)NN=C2CC=C(c3ccc(F)cc3)CC2)n[nH]1	776776397	KUDYLPYKQNBCKS-UHFFFAOYSA-N	404.445	4.578	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cnc(-c4ccccc4F)s3)c(C)cc2c1	778478321	CMFMLTHKOQOLHV-UHFFFAOYSA-N	408.458	4.571	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3ccc(Br)s3)s2)c1	782751985	LDRSSISRLZHBMY-UHFFFAOYSA-N	404.314	4.868	50	20	HJGD	
COc1cc(NNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)ccc1Cl	790181546	WNKOCHGTVNIWJF-UHFFFAOYSA-N	414.339	4.873	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3c2OCC[C@@H]3OC)c1C	791090823	BITKFSCOKBLFIK-DJAVKIJBSA-N	407.514	4.921	50	20	HJGD	
CC(=O)CCCCCCC(=O)NNc1c(Br)cccc1Br	801504948	JIZWNHWMTODFNI-UHFFFAOYSA-N	420.145	4.584	50	20	HJGD	
COc1cc(NNC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)ccc1Cl	807618808	LAJUGHQNCHIGJT-AWEZNQCLSA-N	412.877	4.923	50	20	HJGD	
CC(C)(C)OC(=O)N1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21	810053669	SNRASXBECYJJSX-LDADJPATSA-N	406.442	4.721	50	20	HJGD	
Cc1ccc(C(=O)CCC(=O)CCC(=O)NNc2c(C)cccc2C(C)C)s1	812770025	YKQJLSVOPKHNNB-UHFFFAOYSA-N	400.544	4.944	50	20	HJGD	
C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	814714269	ZJOSZSAYIMXTFE-GOEBONIOSA-N	419.456	4.648	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)cc1	817879849	QTYWYRWRBAEMNM-UHFFFAOYSA-N	406.408	4.792	50	20	HJGD	
COc1cc(C#N)cc(Cl)c1OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	896695296	ZLHZQFGGONVIRC-NVMNQCDNSA-N	411.889	4.807	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1	912778904	BMDSJUGRXRQCJR-ATVHPVEESA-N	419.462	4.555	50	20	HJGD	
COc1cccc(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c1OC(C)C	915906409	JEAOOWHQHYCOOL-UHFFFAOYSA-N	405.498	4.654	50	20	HJGD	
COc1cc(C=NNC(=O)C(C)(C)C)ccc1OCc1cccc(C(F)(F)F)c1	915966137	APQNXBMUTYLWLW-UHFFFAOYSA-N	408.420	4.789	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccc(-n2cccn2)nc1	918559382	PVBGQEQCLLPKSU-INIZCTEOSA-N	412.824	4.739	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)c3c(C)nn(CCCl)c3C)ccc2OC)cc1	1251850646	OYDMMBRWJWIPNY-UHFFFAOYSA-N	413.905	4.675	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(-c2ccc(Cl)cc2)cc1F	1318585637	CSIDPNBBBCSKRD-UHFFFAOYSA-N	403.240	4.874	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1	1786444224	FLGDTSPGTJDBPA-LJQANCHMSA-N	424.932	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)c(Cl)c2)n[nH]1	1814590640	RMABRDSJKHUUED-YOEHRIQHSA-N	423.344	4.695	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1814698959	XATXYOKEAPSEBW-IENJSVCTSA-N	420.985	4.803	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	11296065	FQONVNANINVXAS-WYMLVPIESA-N	405.435	4.878	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)NC1CCCC1	14204636	PQWUQAWYNDYMAP-QGOAFFKASA-N	402.523	4.626	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)cc1	205608671	APAWOGIFRVBVNY-WJDWOHSUSA-N	421.453	4.672	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1	213756577	NXNLJAFKAAFICT-QINSGFPZSA-N	405.435	4.878	50	20	HJGD	
C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)C(C#N)=C1Nc2ccccc2N1	728985167	IAUUAEAVECELGV-SNVBAGLBSA-N	423.479	4.527	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc(Br)ccc1F	729277021	RJNWCNDKQOUWNW-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCO[C@@H](c3ccccc3)C2)c1C	729835457	MSFQQJSEPVPTSD-HDMRQQGGSA-N	405.542	4.802	50	20	HJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1F)C(=O)Nc1nc(-c2ccncc2)cs1	733206410	IWEPICORKJTPJY-NTUHNPAUSA-N	418.375	4.909	50	20	HJGD	
N#C/C(=C\c1occc1Br)c1nc(O)c2cc(Br)ccc2n1	735304688	MQJBIPPYDOGUAE-VMPITWQZSA-N	421.048	4.518	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1c(F)cccc1F	735701662	YDBSTBJKBBLCAY-UHFFFAOYSA-N	404.420	4.883	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c1	744566594	AMZDWICKEVURAH-NGWPFTMJSA-N	423.856	4.534	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2c(CC)cccc2CC)cc1	744572217	XXWBPIBRIQMGIQ-LBSLPOPVSA-N	420.509	4.687	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)c2cccc(C)c2)c1C	745100282	RNTWWWPESQSZEW-PPRFWAEMSA-N	407.558	4.622	50	20	HJGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1	747003507	IHTXLQBGENEYAJ-VXLYETTFSA-N	416.444	4.512	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC2CCN(Cc3cccs3)CC2)c1C	747191172	AXGFCVJTMYQVGV-HYARGMPZSA-N	424.614	4.512	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2ccccc2Br)cc1OCC	748067706	BQRMGKBXFULPSX-UHFFFAOYSA-N	407.308	4.784	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1cc(COc2ccc(Cl)cc2Cl)on1	748314509	HOAIJYLNYAHXDB-UHFFFAOYSA-N	412.660	4.971	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc3c(c2)CC(=O)N3)c(C)n1CCC(C)C	748505801	BEJOBRVOTBSNTG-FNLSEGDXSA-N	419.525	4.857	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	748659510	OOGLERBRGYISOG-UHFFFAOYSA-N	414.368	4.697	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3cccc([N+](=O)[O-])c3C)c(F)c2)c(F)c1	748670975	TVNUTDRMQFBAHU-UHFFFAOYSA-N	413.380	4.614	50	20	HJGD	
CCCCN1C(=O)CC[C@@H](C(=O)NNc2cc(C)cc(C)c2)[C@H]1c1ccccc1OC	750715490	BVSNXNLLLOALNI-ZJSXRUAMSA-N	423.557	4.535	50	20	HJGD	
CCOC(=O)C(F)(F)[C@H]1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C1	752719782	ASDQPLYNSOSDFF-ZDUSSCGKSA-N	424.444	4.639	50	20	HJGD	
COc1ccnc(NNC(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)n1	755009265	BWQMBUJDZIZONU-UHFFFAOYSA-N	421.309	4.700	50	20	HJGD	
C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758538278	IIPKTXYHPLCZQX-LBPRGKRZSA-N	422.485	4.695	50	20	HJGD	
CCC(CC)(C(=O)NNc1ccc(OC(F)F)cc1)c1ccc(OC)c(OC)c1	759972604	FGFTXSXLIKAZFY-UHFFFAOYSA-N	408.445	4.506	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1	760034633	PAAMFEFOLDXSQZ-SJORKVTESA-N	417.543	4.902	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CC(=O)N(CC(F)(F)F)C1	762519204	XYTRJOQYDMDZEI-QMMMGPOBSA-N	412.302	4.693	50	20	HJGD	
CCC(=O)c1ccc(OC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)c(F)c1	766547896	JKLIZMBJIHEMTG-HNIBHBHRSA-N	412.461	4.557	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1	767083687	DAROIJNOAMKDOG-SNVBAGLBSA-N	403.198	4.595	50	20	HJGD	
COCc1ccc([C@@H]2CCCN2CCP(=O)(c2ccccc2)c2ccccc2)o1	767935873	XZXFAVKISHYLDB-QHCPKHFHSA-N	409.466	4.577	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1	767941778	BDKIYJAQSWDQPD-GOSISDBHSA-N	421.310	4.755	50	20	HJGD	
CN(C)c1nc2sc(C(=O)NNc3c(Cl)cc(F)cc3Cl)cc2s1	768013257	RYKBHROYHMQWIB-UHFFFAOYSA-N	405.307	4.627	50	20	HJGD	
Cc1ccc(Cc2nc(C(=O)NNc3ccc(OC(F)(F)F)cc3)cs2)cc1	768441178	WWDBEZINLLKJIW-UHFFFAOYSA-N	407.417	4.698	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C(=O)NNc3c(F)cccc3Cl)c2Cl)cc1	770198221	MWZJTPUCJAJINO-UHFFFAOYSA-N	407.276	4.751	50	20	HJGD	
CC(C)c1cc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)on1	773302239	NBZVZXLVHXCXHQ-UHFFFAOYSA-N	413.368	4.710	50	20	HJGD	
CC1(C)CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC(C)(C)O1	773736223	LZKHVHVBHZBMGV-UHFFFAOYSA-N	416.412	4.699	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NNc1ncc(Cl)cc1Cl	775275510	KLBPBXDZVCOWHH-UHFFFAOYSA-N	424.719	4.530	50	20	HJGD	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1	775624108	REKOVMLQPMCQSV-NDEPHWFRSA-N	413.465	4.901	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Br)c2)cc1OC	775631517	SPXCNEHVKAMWBL-KPKJPENVSA-N	421.678	4.665	50	20	HJGD	
O=C(NNc1ccccn1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	777475214	RQTRUHIOBVLQBF-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COC(=O)/C(C#N)=C\c1ccc(O)cc1	784021089	MBUQWZFJKHGMKT-ODLFYWEKSA-N	421.884	4.558	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1	787146577	ZSAJRTRCDDEGDI-RPXHZFJKSA-N	417.490	4.713	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	787154945	NJCGPVPTTZETTK-VUODPORTSA-N	417.421	4.648	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(Br)c2)c1C	789934088	ALYWCWMSHWPUPR-KDVQLTRESA-N	417.303	4.587	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)ccc1OCC(F)(F)F	794883989	GAYSIVXOLHRERW-MFOYZWKCSA-N	412.367	4.974	50	20	HJGD	
CCc1cc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)ccc1F	804265219	IIJVYJUXOVJRJK-UYRXBGFRSA-N	413.456	4.711	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1	806645014	QODJQQNUXPEDTJ-UHFFFAOYSA-N	401.482	4.830	50	20	HJGD	
CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	809860209	IEKBQZWLCGPNQW-GFCCVEGCSA-N	410.474	4.743	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cn(C)nc3C(F)F)n2)c1	812241197	FLWLZPVIATUFGX-QPEQYQDCSA-N	413.453	4.644	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3ncco3)c2C)c1C	816797448	GVPPWWJAXKATGS-DORSJAEJSA-N	418.497	4.821	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1csc(Br)c1	914559153	ATNKKCTWRUNCIA-LBPRGKRZSA-N	403.301	4.581	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(NC(=O)[C@@H](C)CC)c2)c1C	915732589	IGWJCGYDXWJXAC-CPEHUTGBSA-N	420.557	4.723	50	20	HJGD	
Cc1ncc(C=NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)s1	917531654	FMDZGOBETQFLRV-UHFFFAOYSA-N	401.491	4.948	50	20	HJGD	
COc1ccc(C(C)=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1F	917565171	MZLDWMAFUNCBDK-UHFFFAOYSA-N	414.440	4.599	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@@H]1COc2ccccc2O1	918559841	SQIXLOIHUDQBRT-XJKSGUPXSA-N	403.809	4.684	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1	919877589	MXDRLOZHRKOKAG-XDJHFCHBSA-N	424.928	4.510	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1Cl	1318244601	JNZMGLATIMLTOD-UHFFFAOYSA-N	411.811	4.551	50	20	HJGD	
COCc1nnc(/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)o1	1348908243	CJJKWPMERYBZFB-NVNXTCNLSA-N	402.376	4.707	50	20	HJGD	
CC(C)c1nc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)co1	1787025244	SWQDHXLHGFRSNG-UHFFFAOYSA-N	417.937	4.811	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccc2scnc2c1	1788584670	GIAFSPUSJCVHRM-KRWDZBQOSA-N	417.893	4.578	50	20	HJGD	
CCCc1onc(C)c1C(=O)Nc1ccc(C2(NC(=O)[C@H](Cl)CC)CCC2)cc1	1788779117	VNEIYJPMTBDMCF-QGZVFWFLSA-N	417.937	4.701	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2F)CC1	1830466322	PLIQRNOSVAYNHA-TZIWHRDSSA-N	422.972	4.775	50	20	HJGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2Cl)c(OC)c1	7208228	OIJSBLIFYBNUND-FOWTUZBSSA-N	413.857	4.818	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccccc2SCc2cccs2)c1	15665811	RNOLWTVRNXIXDQ-UHFFFAOYSA-N	413.593	4.980	50	20	HJGD	
Cc1ccc(N2C(=O)CC[C@@H](C(=O)NNc3ccccc3)[C@@H]2c2cccs2)cc1	195605186	OGTMZSLTJZQHSK-DENIHFKCSA-N	405.523	4.684	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1csc2ccccc12	730025569	LLXYGHLTYVJYEJ-JTQLQIEISA-N	408.310	4.913	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cccnc1Sc1ccccc1	732977555	QHADSFNMERPHBJ-UHFFFAOYSA-N	423.885	4.693	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3nccc4sccc34)cc(-c3ccco3)nc21	734250044	NPADJKMPGGJDIQ-UHFFFAOYSA-N	418.482	4.639	50	20	HJGD	
CC[C@H](Cc1ccccc1)N(C)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	741963999	CWWFQPMHPHMYAT-VUKKNSMXSA-N	407.558	4.699	50	20	HJGD	
Cc1ccc(C[C@@H](C)NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)s1	743624589	MBWBUVJMDRETDZ-OAHLLOKOSA-N	408.527	4.690	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc(Oc2ccccc2)ccn1	744610126	VYCLQBTVBFWTRP-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NNc2ccc(Br)cc2Cl)cc1	748775799	FGYMOUVJDIOYFY-LCYFTJDESA-N	420.694	4.551	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1coc(-c2ccc(C)cc2)n1	749887336	UOFQQVVWMNWBNO-LICLKQGHSA-N	403.438	4.562	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C[C@@H]3CCc4ccccc43)cc2)n1	755487096	KOSVAYTWCPDSHV-NRFANRHFSA-N	416.550	4.831	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)Nc1ccc(-c2ncco2)cc1	757801248	IVPOQNNHXZKANQ-UHFFFAOYSA-N	410.499	4.529	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@H](c1cccc(Cl)c1)c1ccccn1	761796638	FZMJCNDZSLZPMT-GOSISDBHSA-N	418.831	4.752	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H]1c1cccc(Br)c1	767295281	POYMXNJJYANYDF-UONOGXRCSA-N	403.158	4.922	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2[N+](=O)[O-])c1C	767716354	AYOHCSNCONCKPC-RIYZIHGNSA-N	400.232	4.520	50	20	HJGD	
COc1cc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1NC(C)=O	769957841	LRGSMQJISWZPEE-UHFFFAOYSA-N	417.680	4.762	50	20	HJGD	
O=C(NCc1cc(F)ccc1F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773238894	SKEZKWPNASMHIE-UHFFFAOYSA-N	416.318	4.877	50	20	HJGD	
COc1cc(C(=O)NNc2ccccc2OC(F)(F)F)ccc1OCCC(C)C	779209170	IWBROOONYBZDAC-UHFFFAOYSA-N	412.408	4.776	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cnn(Cc2ccc(F)cc2)c1	780147155	KRNDNZXFLWUVST-IUXPMGMMSA-N	424.863	4.587	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccnc(Cl)c1	783468705	DUSRKWFFOJULPI-UHFFFAOYSA-N	422.784	4.511	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(F)F)cc1	787182441	HRNQKQUGKJXKHU-KMHUVPDISA-N	406.816	4.734	50	20	HJGD	
Cn1ccnc1[C@@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1	790128881	FKCOXDHXCDTVPU-INIZCTEOSA-N	424.719	4.796	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(-c2ccc(Cl)cc2)cc1F	790585351	OCKGYKXXYSRXPY-UHFFFAOYSA-N	403.772	4.950	50	20	HJGD	
O=C(CCCc1nc(-c2ccc(F)cc2)no1)NNc1cc(Cl)cc(Cl)c1	791730972	IRVIRROQPOBOEF-UHFFFAOYSA-N	409.248	4.649	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cccc(C(F)F)c2)c(C)n1C[C@@H]1CCCO1	791759867	DVABLTMTHYBKQQ-IOAQBMTJSA-N	414.452	4.872	50	20	HJGD	
Cc1ccc([C@@H](NS(=O)(=O)c2ccc(CCCCl)cc2)c2ccccn2)cc1	795242422	HKGZBXKYNRUQNE-JOCHJYFZSA-N	414.958	4.629	50	20	HJGD	
O=C(Nc1csc(-c2ccccc2)n1)C(=O)NN(c1ccccc1)c1ccccc1	806991922	XDKGRXGOKNHYHO-UHFFFAOYSA-N	414.490	4.618	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccc(-c2noc(C(F)(F)F)n2)c1	807079820	VDHRJGNEVCMARM-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)CCCC[C@@H]2CCSS2)CC1	811928354	HKCIBHVCHIDSEP-CTAFRAEOSA-N	408.677	4.836	50	20	HJGD	
CO[C@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)c1ccc(COc2ccccc2)o1	814762212	RRRRFJZKRUCPJR-DVECYGJZSA-N	418.493	4.927	50	20	HJGD	
CCCn1nc(C)c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C	817016924	QHZIGGIYWOPFTK-UHFFFAOYSA-N	408.346	4.704	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)cc2)c(C)n1C[C@@H]1CCCO1	915737970	UQXGBVWYYFYPFE-CEMPLAKHSA-N	407.514	4.617	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c1C	916053408	CBVUYYRGWHHCSR-RCCKNPSSSA-N	418.541	4.605	50	20	HJGD	
Cc1cc(OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)ccc1Cl	916855292	SKWUUQXENCYYKA-QGOAFFKASA-N	416.868	4.938	50	20	HJGD	
CC[C@H](C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1	916922744	FIVOPNQBHZHQQS-ZDUSSCGKSA-N	415.868	4.870	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(N3CCCC3=O)ccc2F)c1C	917797203	PGUAWFLSWZVKTO-CPNJWEJPSA-N	422.504	4.717	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(OC(C)C)c2)c1C	918817678	IMKMMUZLOHWILS-AIRTYWKNSA-N	410.514	4.750	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)cs2)cc1	920065032	FCVZCCCCMLXDHT-IQFISFIMSA-N	419.506	4.515	50	20	HJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OC(F)F)c1C	920833148	BJFRURMNPONWNW-OQLLNIDSSA-N	403.385	4.814	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cnn2CC2CC2)c1C	1318136153	SGKRHQQJACBQJJ-UUYOSTAYSA-N	413.525	4.863	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccco3)CCC2)cc1	1786011692	ONHKTROCZLQMTP-ZHACJKMWSA-N	400.906	4.692	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(Cl)(Cl)Cl)CCC2)cc1	1790487975	BPFHOKXCASVOPD-GFCCVEGCSA-N	412.144	4.508	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1	1820897698	FGEOLGRXQWKHCC-BJICUUOASA-N	406.958	4.556	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2C)CC1	1824612301	WZDPRKYWFNIRPB-ROUUACIJSA-N	411.011	4.697	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(N3CCCC3=O)c2)c1C	18092299	CZMDSAAFMBQCGO-XSFVSMFZSA-N	404.514	4.578	50	20	HJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)cc1[N+](=O)[O-]	33771642	OZBSSASZKVCASJ-JXAWBTAJSA-N	414.469	4.745	50	20	HJGD	
CCCS(=O)(=O)Nc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1C	143391854	WKETVSFIJWKGSM-OAHLLOKOSA-N	416.634	4.799	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2Cl)cc1	208031215	XMSKARJJZCRQMV-SSZFMOIBSA-N	406.873	4.779	50	20	HJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1[N+](=O)[O-]	211435576	RMIMAIBYEAFBHD-ZHZULCJRSA-N	412.449	4.586	50	20	HJGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)Nc1ccc(C(=O)O)cc1	215052929	LXSZTLKABHWFCL-PTNGSMBKSA-N	419.418	4.567	50	20	HJGD	
CC(C)Cc1ccc([C@@H](NC(=O)NNC(=O)c2cccc3ncccc23)C(C)C)cc1	730113577	SXVDWYGNBPOZRI-QHCPKHFHSA-N	418.541	4.775	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(CCC(=O)Oc3ccc([N+](=O)[O-])c(C)c3)c2C)cc1	730162396	SKTRLJWKMBDYIS-UHFFFAOYSA-N	407.470	4.611	50	20	HJGD	
C#CCOc1cccc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)c1	730702089	XMCPWTGTJONJPP-SOJLNECTSA-N	420.509	4.536	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccccc1F	731477420	GZGFPEQMZTXKCD-SECBINFHSA-N	405.189	4.854	50	20	HJGD	
Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)CCCC[C@H]1CCSS1	731626134	HRWUMFNYNCXOQG-RDJZCZTQSA-N	410.630	4.549	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cnn(C(C)C)c2)c1C	732748891	QOIFLVFQSMMYNC-ZIHVZMLCSA-N	415.541	4.964	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3ncc(C(C)C)o3)c2C)cc1	733378252	XKRGQPYDEPHEAJ-ODLFYWEKSA-N	419.481	4.865	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H](CN3CCCC[C@@H]3C)C2)c1C	733779877	SLOVSJFIQQQCLA-DHZSTBIXSA-N	410.606	4.535	50	20	HJGD	
CC(C)Oc1cc(Br)ccc1C(=O)NNc1nccc2sccc12	734250420	XTEQKLOUDTYBSW-UHFFFAOYSA-N	406.305	4.603	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cccc(OCc3cccc(C#N)c3)c2)cc1	734304640	QLYLQXPUJNHGCP-CFRMEGHHSA-N	407.473	4.669	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccc(COc2cccc(Br)c2)o1	735697890	QBIIPTZMCARSEM-UHFFFAOYSA-N	423.213	4.656	50	20	HJGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	739667817	VGZLILPGPXBPJQ-ZTMOJVSCSA-N	420.332	4.502	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)C[C@H](Cc1ccccc1)c1ccccc1	741923292	UILWIFXWVMSHJV-DEOSSOPVSA-N	400.522	4.573	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N(CCC#N)Cc2cccnc2)c1C	741937168	SDINBXZSHVPOPS-BUVRLJJBSA-N	423.520	4.647	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c1C	744693016	UUNURHCGCDZOJS-SYVPYPDPSA-N	415.541	4.875	50	20	HJGD	
C[C@@H]1CC=CC[C@H]1COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	746463286	PBJUDUTZXOKNAO-DNMBHCMMSA-N	400.482	4.516	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2cccc([N+](=O)[O-])c2)c(C)n1C1CCCCC1	748004716	PFIBNDSFWMOPID-PDGQHHTCSA-N	407.474	4.569	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	751164568	BHHBUPUROJPSGG-UHFFFAOYSA-N	410.338	4.523	50	20	HJGD	
CC1(C)CCC(CC(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1	752621937	KVLGTVUCZQSWNS-UHFFFAOYSA-N	407.440	4.607	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)/C=C/c1nc2ccccc2s1	753172022	BEWLLAUZSHKWCU-MDZDMXLPSA-N	402.317	4.778	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc23)c1	759325357	JSLWAADAEKWDLJ-UHFFFAOYSA-N	411.477	4.978	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cccc2[nH]c(-c3cccs3)nc12	759974428	TUSHYBYGFGNYQL-UHFFFAOYSA-N	413.846	4.610	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2cccc(C(F)(F)F)c2)c1-c1ccccc1	760460997	WFLVXLXGWLSYJF-UHFFFAOYSA-N	402.420	4.982	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)cc(OC)c1O	765613485	LWJDSYADRGZDGF-RIYZIHGNSA-N	415.243	4.864	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(N4CCN(C)CC4)cc3)n2)cc1	771519551	GHMOOAIQVMINDF-HMMYKYKNSA-N	416.550	4.635	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1ccc2c(c1)oc1ccccc12	773698673	KULMFDWZQHFKRZ-UHFFFAOYSA-N	414.248	4.975	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cc(F)c(N2CCCCC2)c(F)c1	775720078	WBMHXIPMRJBKGJ-UHFFFAOYSA-N	415.366	4.518	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1	776655872	GQRNGPAGDBBSTM-PGLNOLGZSA-N	408.523	4.519	50	20	HJGD	
CCC(CC)(CCO)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777982537	IZJVBEVULCZDNO-UHFFFAOYSA-N	411.458	4.811	50	20	HJGD	
COc1cccc(NNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	780501368	QDGAOTBHMGCLFG-QGZVFWFLSA-N	407.861	4.548	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c(-c2ccncc2)n1	788357452	ZRBJRWAAOZDIGV-XNTDXEJSSA-N	400.442	4.672	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(\C#N)c3cnc4ccccc4n3)cc2)oc1C(=O)O	790230470	ARBDCYYUXHGUHZ-GZTJUZNOSA-N	411.417	4.873	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)NCCSSC)ccc1OCc1ccccc1	790672646	MGRVMBZHCNCQHG-OAHLLOKOSA-N	406.573	4.646	50	20	HJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(Br)c(OC(F)F)c(OC)c1	794875729	YDUJXPZNBSGQAL-IZZDOVSWSA-N	402.235	4.971	50	20	HJGD	
CCCN(N=Cc1ccc(OCc2c(C)noc2C)c(OC)c1)C(=O)OC(C)(C)C	794997760	FDZROXWKHWWLNJ-UHFFFAOYSA-N	417.506	4.860	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)cc1	801571073	ZCGDIRODMASHQC-PTNGSMBKSA-N	417.387	4.522	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cccc(C(F)F)c1	804209273	SUVBRSXXFAEDNN-UHFFFAOYSA-N	408.330	4.857	50	20	HJGD	
COc1ccccc1SCC(=O)NN=C/C(C)=C\c1ccccc1OC(F)F	811646380	XJUFNWBEBLJRAM-NDBCLQIESA-N	406.454	4.594	50	20	HJGD	
C#C[C@@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1	811963419	MIIATSVQXUAMFU-OAQYLSRUSA-N	418.884	4.717	50	20	HJGD	
CCC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)C(C)C	916299084	BDXHDTFPUSKDOO-UHFFFAOYSA-N	407.543	4.565	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nc3ccccc3s2)o1	917214146	GYARIPOXUSNIFR-UHFFFAOYSA-N	414.830	4.875	50	20	HJGD	
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1csc(-c2ccsc2)n1	920356500	MQGHDXPRHXBAOL-UHFFFAOYSA-N	412.323	4.708	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)C3CCN(C(C)C)CC3)c2C)c1	1251443965	QJOBKMQMTHAQRQ-XQNSMLJCSA-N	418.585	4.641	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	1321718265	LQHMZWQDQHLEEE-IBGZPJMESA-N	414.292	4.727	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)c2nnc(C34CC5CC(CC(C5)C3)C4)o2)c1C	1323902290	ALSDMRWIMJKYCY-FBHDLOMBSA-N	406.530	4.666	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccco3)CCC2)cc1	1786442438	IJZSQSNTSCVYIV-CVTTXWKISA-N	400.906	4.834	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nc(C)c(C)s3)cc2)CCC1	1789985778	ADTYNIAXMNCLSF-MRXNPFEDSA-N	405.951	4.525	50	20	HJGD	
N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1	16881913	PFQAAPIGUXSMGC-RVDMUPIBSA-N	420.881	4.912	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)c3ccccn3)cc2OC)cc1	33527618	QYWLVJADGADJOF-MOSHPQCFSA-N	400.434	4.520	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)c1C	60033792	OWYWZSFNBHGSCA-BHJKQYKASA-N	421.541	4.927	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3cnn(C(C)C)c3c2)c1C	195743637	KPBOWSNTLCBWPE-HQOKVJKCSA-N	419.529	4.789	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)c2nc(C)cs2)cs1)c1ccc(F)cc1F	212770924	SVWWUHADQJIPFP-XGICHPGQSA-N	402.451	4.935	50	20	HJGD	
COc1cc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc(OC)c1OC	254616469	QKDUURIFWDOEKL-UHFFFAOYSA-N	414.461	4.783	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1	302914694	UVAYSQWWWHYJDB-HAVVHWLPSA-N	412.489	4.540	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)[C@@H](C)CC)ccc1OCC(=O)Nc1ccccc1	726429257	HMMVFYHPHVQQRZ-NFBGKYEXSA-N	406.482	4.625	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNC(=S)Nc3ccccc3C(C)C)o2)cc1	727173945	ACGCDZHWBFUDRS-UHFFFAOYSA-N	421.522	4.904	50	20	HJGD	
O=C(NNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1c(Cl)cccc1Cl	727791644	NZKZRJBEXDASNL-UHFFFAOYSA-N	417.214	4.505	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccccc2OC2CCCC2)c1	728430525	BPCXRLVUAQQXAY-UHFFFAOYSA-N	417.303	4.543	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)CCSc1ccc(F)cc1)c1cc2ccccc2s1	730676647	DLBWLAKKSFHPLS-CYBMUJFWSA-N	417.531	4.614	50	20	HJGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1	731329410	LOFNKTBNDNAFTF-UHFFFAOYSA-N	416.374	4.515	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc2ccccc2cc1NC(=O)C1CC1	734246995	PUDDJKXAVWEKMA-UHFFFAOYSA-N	402.479	4.555	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C[S@](C)=O)c2)c(C)n1CCC(C)C	734403971	HXIXHUYDRVCUDB-BCMZQPROSA-N	411.571	4.575	50	20	HJGD	
CCOc1cccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	742006294	HLTXNYUPHFLVPO-UHFFFAOYSA-N	404.091	4.912	50	20	HJGD	
Cc1cccc(NNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c1	743298738	CFYLWXFBZBMYAT-UKILVPOCSA-N	413.521	4.618	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c1C	743786488	KUPAVXBDJSQRNP-KMYAOZERSA-N	415.541	4.875	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC(c2cc3ccccc3[nH]2)CC1	744255670	CSSRTAQSCUNJOE-UHFFFAOYSA-N	402.947	4.518	50	20	HJGD	
Cn1cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c2ccccc21	744782115	MGCNSKYKKQGHDV-UHFFFAOYSA-N	419.488	4.795	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c(C)n1C[C@@H]1CCCO1	745773119	IZXYJPXHAMRACN-JLIGMNHTSA-N	417.553	4.801	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c2ccccc2n1	745876555	QOAIPGHJLBPSLB-WMHILYHISA-N	422.916	4.538	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	747608920	FBSYJUZERXBRNJ-VDQHWBOFSA-N	417.269	4.882	50	20	HJGD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3cc(C#N)cs3)c2C)cc1	748439394	PJKUDQWGJNTJDC-ZDLGFXPLSA-N	415.474	4.604	50	20	HJGD	
COc1ccc2cc(/C=C/C(=O)NNc3ccc(OCC(F)(F)F)cc3)ccc2c1	748702432	UYTVRUZWPLWICS-QDEBKDIKSA-N	416.399	4.946	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccco2)nc2ccccc12	748717879	HSYPHRYDGHQZLK-UHFFFAOYSA-N	408.801	4.813	50	20	HJGD	
CC(C)(C)Cc1nc(-c2cccc(C(=O)NNc3cccc4cnccc34)c2)no1	748759300	NRKQDEYHFJVDEE-UHFFFAOYSA-N	401.470	4.630	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc2ccc(Cl)cc2n1	752321027	MLSMQXISUBXULD-UHFFFAOYSA-N	412.621	4.686	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cnc(-c2ccc3c(c2)OCO3)s1	752812846	NCWPHIWDEGOHMO-UHFFFAOYSA-N	408.266	4.603	50	20	HJGD	
Cc1cc(N(C)C)cc(C)c1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	752854945	CCOWGTFAVMFXQO-RQLGBQGVSA-N	420.557	4.512	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc2ccc(OC)cc2nc1C	753168688	JWBAOZBTOWCONF-UHFFFAOYSA-N	414.303	4.634	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)o1	753386516	FMDSOWGSSVDISD-GOSISDBHSA-N	418.280	4.628	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1csc(Cc2ccccc2F)n1	754147336	JOUOUVSGHCLBQW-UHFFFAOYSA-N	413.371	4.788	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)c1	759310720	GNAQVCJBNPKHFE-UHFFFAOYSA-N	410.474	4.608	50	20	HJGD	
CC[C@H](C)n1ncc(NC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)c1C1CC1	762729629	TWXHCXQRZOBWLD-QCJHOVIBSA-N	423.561	4.903	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1ccccc1OCc1ccc(Cl)cc1	765991013	WQQQGMJEOHHOQP-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(Br)cc1Br	768481011	DSVWNWPVTNLBCK-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
COc1cc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)ccc1O	769282349	XKTITPCJUXNLSY-KGENOOAVSA-N	421.541	4.890	50	20	HJGD	
CSc1cc(/C(C#N)=C/c2cccc(OCc3ccccc3C(=O)O)c2)ncn1	773176411	LNZXVVPXIZGATF-RQZCQDPDSA-N	403.463	4.540	50	20	HJGD	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)c1ccc(OC(F)F)cc1	776258982	CPTVPBSSMDMMEH-KPKJPENVSA-N	410.279	4.587	50	20	HJGD	
O=S(=O)(Nc1nnc(C2CC2)s1)c1cccc(S(F)(F)(F)(F)F)c1	777669806	KTHDWQURUNVQDA-UHFFFAOYSA-N	407.411	4.874	50	20	HJGD	
COc1cccnc1N(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777685312	ZZCRGSQDJWGPJQ-UHFFFAOYSA-N	404.382	4.573	50	20	HJGD	
C[C@H](CCc1cccn1C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777980138	YNJMDJWHRMYJDM-GFCCVEGCSA-N	418.453	4.982	50	20	HJGD	
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NNc3ccc(C(C)(C)C)cc3)C2)c1	781041625	KCIUZNGQRFYSAI-SFHVURJKSA-N	408.546	4.680	50	20	HJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)Nc3ccccc3Br)sc2c1	788690787	VAZHYIVGCKPAHE-FLIBITNWSA-N	414.284	4.613	50	20	HJGD	
COc1cc(NNC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)ccc1Cl	790176752	UGYMLICIQPDQIB-UHFFFAOYSA-N	414.893	4.744	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)ccc1Cl	790179016	HDXJTZKFPWNAGJ-UHFFFAOYSA-N	409.845	4.592	50	20	HJGD	
Cc1nc2ccccc2cc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804208738	WZBOGSLMBAZNBR-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1	810201258	XFQYRVNGRLBGJB-OQLLNIDSSA-N	422.872	4.601	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1	813032795	UFNPIPXNXMGBGQ-UHFFFAOYSA-N	408.546	4.571	50	20	HJGD	
CC(C)(C)c1nnc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1	817013679	YEEWMRDGNUBHGX-UHFFFAOYSA-N	412.359	4.630	50	20	HJGD	
CCOc1ccc(NNC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1	817915761	SKPSBGHSVLRLIY-UHFFFAOYSA-N	420.494	4.524	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)n2ccccc2=NC2CCCCC2)c1C	832913205	XVSOHYSBNTVHES-BZIHFPCYSA-N	420.557	4.595	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)c1ccc(Cl)cc1	916253829	NUKCEMYLBKIEKY-UHFFFAOYSA-N	401.297	4.619	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2csc(Nc3ccc(C)cc3)n2)c1	916596828	KNLDAEKSKQCRLI-YVLHZVERSA-N	405.479	4.854	50	20	HJGD	
CCCOc1cc(C)ccc1NC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	917745176	LHXRYVAIYSRITI-KOMLCTQHSA-N	409.530	4.955	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	918182893	FRFMFQJYFNDGLN-SECBINFHSA-N	420.218	4.717	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccc(Cl)cn2)cc1	1320130605	MRKLHRHTDZKRTP-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccn(-c2ccncc2)n1	1321170769	WIRRLNONJYVGTJ-MRXNPFEDSA-N	412.824	4.739	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)no3)cc2)CCC1	1790161261	WYVVOVFZNDVVSB-KRWDZBQOSA-N	417.937	4.953	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4ncccc4[nH]3)cc2)CCC1	1790840800	DZYNGWQUWMWZQJ-QGZVFWFLSA-N	424.932	4.718	50	20	HJGD	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](Br)CC)CCC2)cc1	1791254662	WETVEJKLIIZMPP-PBHICJAKSA-N	407.352	4.506	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1824611641	NIJALHKUFFFQBK-RTWAWAEBSA-N	411.030	4.984	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1	1824613564	QSCMKBCEHDUGHO-JKSUJKDBSA-N	415.361	4.574	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(Cl)Cl)CC1	1831468423	OCFGNUFPNVQFRT-RDJZCZTQSA-N	405.410	4.626	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccc(Cl)c(C)c1Cl)C2	1841671674	CEKMMQPMCHBXPC-OAHLLOKOSA-N	417.764	4.526	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2CC)c1C	24013170	OZPSBEQXZLPVJS-OMNSNBSWSA-N	421.541	4.945	50	20	HJGD	
Cc1nn(C)c2ncc(C(=O)Nc3ccccc3S[C@@H](Cl)C(F)(F)F)cc12	97111253	ZUHGODGADAFLMT-MRXNPFEDSA-N	414.840	4.748	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cc(C#N)n1C	728025771	LNJFCELGWBXYPV-WBRURWICSA-N	409.493	4.924	50	20	HJGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NNC(=O)C(C)(C)c1ccccc1	731200213	FZHGODWBCBPVRU-UHFFFAOYSA-N	423.582	4.770	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1ccccc1	731937720	KZYPTBRMTWZFRH-FMNVXAMXSA-N	421.298	4.624	50	20	HJGD	
Cc1ccc(COc2cccc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)c2)cc1	732144417	SLNOIHKJFYSPFT-NHDPSOOVSA-N	410.477	4.638	50	20	HJGD	
Cc1ccccc1-c1nc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)cs1	732976849	MVKMORKIBNWRNG-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
COc1ccccc1CC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])cc1Br	739314393	LREKMVDCOUVMRO-UHFFFAOYSA-N	408.248	4.540	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2nc(C(F)(F)F)cs2)c(C)n1CCC(C)C	740837967	WBOMXBFTSCAUSU-PXNMLYILSA-N	424.492	4.850	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1C	743297051	LWIMAJBPRJMDOV-HZPDHXFCSA-N	408.354	4.732	50	20	HJGD	
O=C(NNC(=O)c1cccc2cccnc12)c1sc2cccc(Cl)c2c1Cl	747425272	CKENYZCOVVTFGB-UHFFFAOYSA-N	416.289	4.831	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(CC#N)c3ccccc3)c2C)cc1	747652858	LDRQAYSMBXDIAE-LTGZKZEYSA-N	410.477	4.567	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ccccc2F)cc1	748056492	AFQOTYOFNHRZOQ-UHFFFAOYSA-N	400.457	4.803	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2cccnc2Cl)c(-c2ccccc2Cl)n1	754485399	JWUOPXKNEPCDMF-UHFFFAOYSA-N	404.301	4.764	50	20	HJGD	
O=C(CCCc1csc2ccccc12)NNC(=O)Nc1ccc(OC(F)F)cc1	755671255	WYLIEZHGPJILCD-UHFFFAOYSA-N	419.453	4.678	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)Nc1cccc(COC2CCCCC2)c1	756246110	SJXZEYZLTZOWRF-UHFFFAOYSA-N	407.470	4.749	50	20	HJGD	
Cc1ncc(CN(C)C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)s1	762642046	XPSPJJLSVNRDKX-UHFFFAOYSA-N	415.409	4.706	50	20	HJGD	
CC1(C)COCCN1CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762973640	CXIVGOKHQCHTTL-UHFFFAOYSA-N	403.417	4.576	50	20	HJGD	
CC[C@@H]1CCCC1=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1	764763251	RYCQQGXWRHWNBE-OAHLLOKOSA-N	420.629	4.913	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(-c3ncco3)c2)c1C	766054022	SWQUSNYYBSVYCA-MLHZQLSASA-N	418.497	4.821	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1	768702405	JCEJQSNCWSWQNA-UHFFFAOYSA-N	424.700	4.794	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(Oc2ccc(F)cc2)nc1	775503673	MCIRYNWCDOJCBO-UHFFFAOYSA-N	408.220	4.863	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2n[nH]c(-c3ccccc3)c2Br)cc1	780802088	FAAWTHLJYMXKML-UHFFFAOYSA-N	413.319	4.894	50	20	HJGD	
O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NNc1ccccc1Cl	783393086	LLRQDAXAHSOSSZ-UHFFFAOYSA-N	408.310	4.715	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1Cl)C(=O)c1c[nH]c2cc(F)ccc12	789127465	KOMUSJUFVNIGMU-NVNXTCNLSA-N	404.832	4.995	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc(F)c(F)cc1C(=O)c1ccccc1	793711329	ZPUCMMZNBNVEKH-UHFFFAOYSA-N	418.346	4.554	50	20	HJGD	
CC(C)(C)OC(=O)NCC1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1	794878790	IWANGZHTIXUTFJ-UHFFFAOYSA-N	414.333	4.794	50	20	HJGD	
CCCNC(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl	797316432	PEEDICCICPWCQR-QPEQYQDCSA-N	411.720	4.633	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cc2c(s1)CCC2	801499748	FBEBXSDDPIJXEH-UHFFFAOYSA-N	416.138	4.519	50	20	HJGD	
CC(C)(C)n1nc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C1CC1	802039350	FIALIKSNSCDBHH-UHFFFAOYSA-N	417.513	4.649	50	20	HJGD	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NNc1ccc2c(=O)[nH]ccc2c1	803428965	SNAPDFZVUAYXEW-YFHOEESVSA-N	405.454	4.552	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	806315796	OCQAACPTOITLPQ-NRFANRHFSA-N	418.884	4.597	50	20	HJGD	
CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(OCCCCl)cc3)ccc2NC1=O	811487047	RJTCCIUJWWEFFI-YWZLYKJASA-N	402.922	4.655	50	20	HJGD	
COc1ccc(Sc2ccc(NC(=O)NNc3ncncc3F)cc2Cl)cc1	814624284	RAEPKCYOXXDCCZ-UHFFFAOYSA-N	419.869	4.578	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(C)c(Br)cc2C)c(C(F)(F)F)c1	816703128	PWGBGUSPRYOOQA-UHFFFAOYSA-N	417.225	4.850	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCCOCC(F)(F)F)c(C)n1C1CCCCC1	914768134	ZUZHWRGNQMEJKK-PDGQHHTCSA-N	411.468	4.602	50	20	HJGD	
O=C(NN=Cc1ccccc1F)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	915908668	JZJUKQRUSUHDAZ-UHFFFAOYSA-N	423.447	4.903	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(COC(C)C)c2)c(C)n1C[C@@H]1CCCO1	920476645	NBUIPVCFQBBAPE-JGTYQCAFSA-N	421.541	4.755	50	20	HJGD	
Cc1ccccc1-c1cccc(C=NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1	1251911800	YITHYFKNDXNHBT-UHFFFAOYSA-N	421.541	4.759	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)[C@@](C)(Cl)CCl)cc2)CCC1	1790488855	FXJJPIYYLVQGAE-SFHVURJKSA-N	419.780	4.622	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)[nH]n1	1820850708	ALBOGGJXKONTOF-NVXWUHKLSA-N	423.344	4.695	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1	1824015336	YYZAYNREGRMGDY-MISYRCLQSA-N	411.030	4.697	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OC)c(OCC)c1	207859358	PMXHPQLCQDDWHI-GDNBJRDFSA-N	400.862	4.692	50	20	HJGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)s1	210220154	CIERSUBLWVQLCY-QINSGFPZSA-N	419.344	4.627	50	20	HJGD	
CC[C@H](C(=O)NNC(=S)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1	727172475	GDZQUVGYOVVJOY-DOMZBBRYSA-N	410.370	4.744	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2c(c1)C[C@@H](C)O2	727744604	TWNMVRSUIOVNNJ-JBARUQGQSA-N	403.265	4.871	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	727759777	YCPTUKHZDXZABA-UHFFFAOYSA-N	402.216	4.898	50	20	HJGD	
CCCCN(CC)c1ccc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	727791640	NWMZURFXHCFIRA-UHFFFAOYSA-N	408.329	4.695	50	20	HJGD	
Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)CCCC[C@@H]1CCSS1	731626135	HRWUMFNYNCXOQG-WBVHZDCISA-N	410.630	4.549	50	20	HJGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1nc(-c2ccc(Cl)cc2)no1	732976709	KQDFGINYODDPIK-AWEZNQCLSA-N	410.783	4.569	50	20	HJGD	
COc1ccccc1[C@H]1CCN(C(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)C1	737747781	RIMCCYIZDAAZGI-CWGWECIMSA-N	405.542	4.693	50	20	HJGD	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	737767900	KBNPLFNDJREMKT-JTQLQIEISA-N	419.230	4.652	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C)C(C)(C)c1ccccc1	741578736	IYZGNDJAEQLPHL-LHBRDVBXSA-N	407.558	4.531	50	20	HJGD	
O=S(=O)(Nc1ccc(COCc2ccccc2)cc1)c1ccc(CCCl)cc1	741655560	ZRXAXHASZKOHCT-UHFFFAOYSA-N	415.942	4.986	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Oc3cccnn3)c2)c1C	742195905	AOYLFALDGCXEQG-UYRXBGFRSA-N	401.470	4.643	50	20	HJGD	
CC(C)(C)c1csc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)n1	743591225	ODHGAMQEUDUPGL-UHFFFAOYSA-N	423.542	4.644	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c2ccccc2n1	745876554	QOAIPGHJLBPSLB-LZHZSBQWSA-N	422.916	4.538	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2csc(-c3c(F)cccc3F)n2)cc1C(F)(F)F	746888625	AVFKOLXILQLIPZ-UHFFFAOYSA-N	424.354	4.736	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccco1	747589100	XNZXNZYOBVXAAC-UHFFFAOYSA-N	403.360	4.616	50	20	HJGD	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1cccnc1Cl	754485201	OCRMUEWNDMKCOG-LLVKDONJSA-N	423.325	4.808	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1	754714287	VBQLTVPMPVICQA-XMHGGMMESA-N	400.482	4.940	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](C)c2nccs2)c(C)n1-c1ccccc1F	754735653	IVWFRKQWZRRNTB-XWAFYUISSA-N	408.502	4.517	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)C1CCOCC1	755880313	QTQMSZSWCDPGPG-UHFFFAOYSA-N	402.494	4.951	50	20	HJGD	
Cn1ccnc1[C@H]1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	756294957	YZEZTNVIPYIWLK-NHYWBVRUSA-N	418.872	4.661	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccccc1	756301593	WNUFTDTXSYSGTM-HXUWFJFHSA-N	420.538	4.720	50	20	HJGD	
CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	757297275	KOEIGEDYDADFFL-UVWXRNBGSA-N	408.873	4.539	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1csc(Cc2ccccc2F)n1	761585558	ZOMHWJCBIPJMAL-UHFFFAOYSA-N	411.380	4.529	50	20	HJGD	
CCc1cnccc1CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762681711	ZBXIOAYSMJWAHH-UHFFFAOYSA-N	409.380	4.556	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCSC[C@H]2c2nccs2)c1C	770184983	YZZFNNJYAOMEEP-GQEMFKIVSA-N	414.600	4.585	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1	775524174	DEKPTRPQDWGODY-ZDUSSCGKSA-N	407.326	4.993	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccc4ccccc4n3)c3c(C)noc3n2)c(C)o1	777463284	NNWONQNODWXOLU-UHFFFAOYSA-N	413.437	4.713	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	778449736	XTENXRUKOMZMIL-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(C4CC4)nc4ccc(F)cc34)c(C)cc2c1	778476928	NJWNXUYEONFGSI-UHFFFAOYSA-N	416.456	4.873	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2ccccc2Br)ccc1-c1ccccc1	782989503	WSEWXYJRUBDSMQ-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	788912982	MUSLSMGHUJSSOA-CHWSQXEVSA-N	422.485	4.743	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	792437080	BRLNBQBNWSBSCX-UHFFFAOYSA-N	412.276	4.646	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2cccc(F)c2F)cs1	810448236	WYMZAIBMYXTUCK-UHFFFAOYSA-N	405.445	4.957	50	20	HJGD	
Cc1ccc(-n2cnnc2SCC(=O)NN(c2ccccc2)c2ccccc2)cc1	825500560	BAWUVDRDBWABRD-UHFFFAOYSA-N	415.522	4.537	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	857514111	JSYKVOVMGRIWII-UHFFFAOYSA-N	417.231	4.895	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(Br)o2)c1C	915198867	SARYZPCCSOTMOZ-BOPFTXTBSA-N	418.335	4.826	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	915910469	HWDYCOLPLVNUJS-IBGZPJMESA-N	414.292	4.727	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(Br)cc2Cl)cc1	921169375	SZOBPTIHZCBIAV-OQLLNIDSSA-N	419.706	4.725	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1cccnc1SCC1CCCCC1	1116395267	HUGGBXVIIUELSI-UHFFFAOYSA-N	421.364	4.668	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNC(=O)c2ccccc2Cl)cc1C	1317780916	XQPURFKUGYSSFQ-UHFFFAOYSA-N	411.914	4.578	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H]2CCSc3ccccc32)c(C)n1C[C@@H]1CCCO1	1344018981	YPFKTKNFNSKQQU-IMDKNKCXSA-N	422.550	4.971	50	20	HJGD	
CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)cn1	1786011524	XAZALPSXDZDCGG-UHFFFAOYSA-N	413.949	4.657	50	20	HJGD	
Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)c1	1786615105	DNKNDDSDFWSXAY-HXUWFJFHSA-N	402.897	4.596	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(C)on3)cc2)CCC1	1789569992	PMOZJKRXOBKFGT-GNISGLHKSA-N	415.921	4.538	50	20	HJGD	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)CCBr)CCC2)cc1	1790451026	PFFRDFYUNZOLBB-UHFFFAOYSA-N	407.352	4.652	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1	1825856657	HZEFUVFWDQEDTL-LSDHHAIUSA-N	417.402	4.652	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)NCCC(c1ccccc1)c1ccccc1	727840833	ZLZPCRUXQSWOHU-UHFFFAOYSA-N	415.537	4.562	50	20	HJGD	
CN(CC1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1)C(=O)OC(C)(C)C	728897475	OPFOMGCJUGWWQA-QGZVFWFLSA-N	416.653	4.806	50	20	HJGD	
O=C(Cn1ccc2ccccc21)NN=Cc1ccc(-c2nc3ccccc3s2)o1	729638600	TYCGACLCXWOBST-UHFFFAOYSA-N	400.463	4.661	50	20	HJGD	
CCOCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	731152459	IZAZQGFYKJGKOU-UHFFFAOYSA-N	424.504	4.693	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C)c1ccccc1	731998709	AGDDMRGNIHQECP-QGZVFWFLSA-N	413.930	4.727	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)N(C)C3CCCCC3)c2)cc1	732715385	SOYDYZGYCUAUCR-HKWRFOASSA-N	417.509	4.646	50	20	HJGD	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNc1c(F)cccc1F	735698753	URNURAICPNPUET-UHFFFAOYSA-N	421.856	4.997	50	20	HJGD	
CC[C@H](Cc1ccccc1)N(C)C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	741964929	HUFHZYPBRKTLPB-VBVNTZJKSA-N	419.569	4.671	50	20	HJGD	
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)CCCC[C@@H]1CCSS1	742111822	BCFFMLVXVGDQEA-BBWFWOEESA-N	416.653	4.900	50	20	HJGD	
Cc1cc(NNC(=O)c2cc3c(C(C)C)nn(C)c3s2)ccc1Br	743416010	JAVGQUQKMPMKOR-UHFFFAOYSA-N	407.337	4.586	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(C3CCCCC3)[nH]n2)c(C)n1C[C@@H]1CCCO1	743454364	HTHSKUHCRJOSKX-OCBOALCKSA-N	421.545	4.600	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)c(C)c1	743765709	ZOXWVTDETZLBBQ-BGYRXZFFSA-N	423.557	4.537	50	20	HJGD	
C[C@H](NC(=O)NNc1c(Cl)cc(Br)cc1Cl)c1cccnc1	745311466	XMCGHNOUHIDSEQ-QMMMGPOBSA-N	404.095	4.538	50	20	HJGD	
Cc1sc(CNC(=O)NNc2ccc(Cl)nc2)nc1-c1ccc(Cl)cc1	745756450	ABNPKXUPDLDWLB-UHFFFAOYSA-N	408.314	4.647	50	20	HJGD	
N#Cc1ccc(NNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1C(F)(F)F	746896683	OJSKFCICACBHRD-HUUCEWRRSA-N	424.220	4.586	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2cccc(C#N)c2)c1	748031203	QVWLQXCZICOKIA-UHFFFAOYSA-N	411.440	4.615	50	20	HJGD	
CCOC(=O)C1CCC(=NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1	750935598	WAEAGNZCTWIQMS-WMCAAGNKSA-N	404.576	4.738	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cc1csc(-c2ccc(Cl)cc2)n1	751168115	GKSPBZPRKZOLKM-UHFFFAOYSA-N	404.831	4.528	50	20	HJGD	
COc1cccc2c1OCC[C@H]2NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	751233582	VZDRUJRRAVZPBP-VOSMRYOYSA-N	421.541	4.707	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)Cc2cc3c(ccc4ccccc43)o2)cc1	753278893	TVDMEWSWOROWJU-UHFFFAOYSA-N	419.506	4.545	50	20	HJGD	
CCOc1ccc(Nc2ncccc2C(=O)NNc2ccc(C#N)c(Cl)c2)cc1	753315304	GOBMZRQQSZSEDR-UHFFFAOYSA-N	407.861	4.506	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cccc(-c3c(F)cccc3F)c2)c1	757640908	BFLCEVOIFQYXHH-UHFFFAOYSA-N	415.440	4.711	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cncc(-c2ccccc2)c1	758292668	UKXJGDVGKYYWRP-UHFFFAOYSA-N	402.679	4.921	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(/C#N)c2nnc3n2CCCCC3)c1	759645182	VOOYUEUUURFAKM-AQTBWJFISA-N	416.529	4.696	50	20	HJGD	
N#CCCn1ncc(C(=O)NNc2ccc(Cl)cc2Cl)c1-c1ccccc1	760459260	HAJXSZGUJQBUMS-UHFFFAOYSA-N	400.269	4.527	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NNc1ncnc2ccsc12	765691414	VNRGJTAVIRUYJL-GFCCVEGCSA-N	410.528	4.511	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)c3ccccc23)cc(C#N)n1C	765816817	NPHHBSIHNVDISN-AYCSXLNKSA-N	402.885	4.796	50	20	HJGD	
COC(=O)c1csc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	766548126	NIBXYABPOKHZBA-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	767946536	FRVACYOTHTYDIO-JTQLQIEISA-N	406.202	4.504	50	20	HJGD	
Cc1ccc(-c2nnco2)cc1NC(=O)NNc1ccc(Br)cc1Cl	770031374	SQTCYJRIFLJCBP-UHFFFAOYSA-N	422.670	4.610	50	20	HJGD	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NNc2ccc(C(F)(F)F)cn2)c1	775264757	MGKOUNPXEIASGG-UHFFFAOYSA-N	413.399	4.705	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	786043557	YBUGFXUTDMFCTP-XDHOZWIPSA-N	403.463	4.585	50	20	HJGD	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)/C(C#N)=C/c1ccc(O)cc1	787264133	RCKPZETURGFNSM-OQLLNIDSSA-N	417.278	4.638	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)NNc3cccc(F)c3[N+](=O)[O-])ccc2C)c1	790509291	QCCXKKRCYIWVTD-UHFFFAOYSA-N	411.393	4.687	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2-c2csc(C)n2)c1C	797341354	GIPPUKDUTCSTDP-XDHOZWIPSA-N	420.538	4.729	50	20	HJGD	
Cc1cccc(C(=O)NNC(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)n1	797633156	UQRDZOLFPVQJJM-UHFFFAOYSA-N	412.902	4.661	50	20	HJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2nccnc2C2CCC2)cs1	805472596	LFJVIJYQKADERZ-UHFFFAOYSA-N	411.556	4.558	50	20	HJGD	
CCC[C@]1(CO)CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	808349800	LQBMVLLHEMXSMN-AWEZNQCLSA-N	409.442	4.517	50	20	HJGD	
CN1/C(=C(\C#N)C(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)Nc2ccccc21	827661121	KFOQNDJNSCUQMS-HMMYKYKNSA-N	422.897	4.953	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)cc1	914767051	UREQVBQMEHBGKI-GDNBJRDFSA-N	420.387	4.581	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3cccc(OCc4ccccn4)c3)cc2C1	915951927	LRYUCCFRUGGLMF-INIZCTEOSA-N	405.523	4.611	50	20	HJGD	
CC(C)n1ncc2cc(C=NNC(=O)Cc3ccc4ccccc4c3)c(Cl)nc21	915973032	ZZBAYILRAUMGSU-UHFFFAOYSA-N	405.889	4.512	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1	915983503	JPGKGGXCDWDSJX-PDGQHHTCSA-N	417.412	4.538	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1C	916349804	WTXFQIXHSXOCFV-UHFFFAOYSA-N	415.522	4.685	50	20	HJGD	
CC(C)OCc1ccccc1CNC(=O)NNc1nc(Cl)c(Cl)cc1Cl	916576003	HSLSIZQRTBYEGR-UHFFFAOYSA-N	417.724	4.793	50	20	HJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CCN(C2CCCC2)CC1	917539799	RPXFTBRXLBOXNU-UHFFFAOYSA-N	416.978	4.775	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)cc1	918108576	FRIOONVPUATILT-UHFFFAOYSA-N	424.460	4.559	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1	920855602	VIAQZQCPKRNFDP-SFQUDFHCSA-N	404.495	4.766	50	20	HJGD	
CC(C)n1cc2c(n1)[C@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)CCC2	1321194593	UWTKDXXFOULAJL-GFCCVEGCSA-N	417.728	4.523	50	20	HJGD	
CC[C@H](C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1)N(CC)CC	1786447755	PKUGNGVFGGRBBI-LJQANCHMSA-N	422.013	4.506	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)CCC(F)(F)F)cc2)CCC1	1787868844	HUWSEWNUVOYDPN-UHFFFAOYSA-N	404.860	4.728	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)cc1Cl	1788579744	DAGUWVJIUPMXJI-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnc(C)s3)cc2)CCC1	1788863217	IXZNZNHUMOGJRE-MRXNPFEDSA-N	405.951	4.607	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)cc3F)cc2)CCC1	1790636061	PPBOUSHPXNFZNC-OAHLLOKOSA-N	424.850	4.869	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1	1817135084	XKXQONXHBSWBKZ-MLGOLLRUSA-N	417.978	4.586	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1C	728875684	GAAWYOAZHHZPGF-JJEHFPDLSA-N	411.933	4.675	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NN=c2cc[nH]c3ccccc23)c(C)n1C1CCCCC1	730288564	LBRUGQLNZSCHEM-HMMYKYKNSA-N	413.525	4.631	50	20	HJGD	
C[C@H]1CC[C@H](NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1	730985033	MOEWEKMKVUEBMT-RRHMZOOWSA-N	421.932	4.719	50	20	HJGD	
Cc1ccc([C@H](NC(=O)NNC(=O)CC(C)(C)C)c2ccc(F)cc2Cl)cc1	731118400	BSFOSBFIBMNPGB-IBGZPJMESA-N	405.901	4.644	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(N(C)C(C)C)c2)c(C)n1C[C@@H]1CCCO1	731585982	VHFUIWSMHBUDDY-DNQIBQKISA-N	420.557	4.674	50	20	HJGD	
CC(C)N[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	732415911	GIALRMCUMQDPCY-IUODEOHRSA-N	409.905	4.900	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)c1ccccc1OCc1ccccc1	733925448	VXUISRDPZFJFCR-MRXNPFEDSA-N	411.933	4.809	50	20	HJGD	
O=C(NNc1nccc2sccc12)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1	734248925	BQCXPDUVTRIKGA-HXUWFJFHSA-N	413.506	4.747	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cn(Cc4ccccc4)nc3-c3cccnc3)nc12	741469340	LMKLMMUKHWBOKO-NDENLUEZSA-N	417.476	4.637	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	744379116	KHUCYTYYNVJYCX-CYBMUJFWSA-N	420.941	4.577	50	20	HJGD	
O=C(NCc1ccccc1C(F)(F)F)NNc1ncc(C(F)(F)F)cc1Cl	746220821	YXFFHPBUMXEAKA-UHFFFAOYSA-N	412.721	4.599	50	20	HJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CCOc1ccccc1	747051057	IOKGZRWMNWEKMS-UHFFFAOYSA-N	410.905	4.568	50	20	HJGD	
COc1cc(C(=O)NN=C(CCc2ccc(Cl)cc2)C(C)C)cc(OC)c1OC	748243916	FBBPHNXNUBRWJR-UHFFFAOYSA-N	418.921	4.740	50	20	HJGD	
O=C(CCc1cc(Cl)ccc1Br)NNc1cccc2cnccc12	748767159	KYRKOPOHSRWVAS-UHFFFAOYSA-N	404.695	4.727	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@@H](c3ccccc3C)C2)c1C	750769870	YPSNXUZJYAWTPT-BGACDVDQSA-N	405.542	4.544	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)Nc1ccc(COC2CCCC2)cc1	756684862	LPOLMWBMYFWGNG-UHFFFAOYSA-N	417.509	4.694	50	20	HJGD	
CN(C(=O)c1ccco1)c1ccccc1C(=O)NNc1c(Cl)cccc1Cl	763617926	YSTYWFNYYXHKKR-UHFFFAOYSA-N	404.253	4.620	50	20	HJGD	
CC(CCCCO)=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	766682653	RSIFFFBTGUWEBY-UHFFFAOYSA-N	413.568	4.857	50	20	HJGD	
N#Cc1cccc(COc2ccc(NC(=O)NNc3cccc(C#N)c3)cc2Cl)c1	770013279	GMNVAWXCNKGOSJ-UHFFFAOYSA-N	417.856	4.811	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1cc(F)cc(C(F)(F)F)c1	772840114	DVSLUZVRDKARNY-UHFFFAOYSA-N	407.392	4.661	50	20	HJGD	
COc1cc(/C=C(/C(=O)NNc2cccc3c2CCCC3)c2ccccc2)ccc1O	773460131	VUYNSAQLZXYVCJ-CJLVFECKSA-N	414.505	4.964	50	20	HJGD	
Cc1nnc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)s1	781864585	RPODTEIXOYDFKS-YLRSXTQRSA-N	406.511	4.774	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2	787335507	SWWNDWFACBAUDW-GMPUOFRTSA-N	410.473	4.530	50	20	HJGD	
O=C(NNc1nc2ccccn2n1)c1c(Cl)cccc1Oc1ccccc1Cl	791263075	ANFRUPJIGXXTEU-UHFFFAOYSA-N	414.252	4.585	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1	792881190	KJUNEUIHTIGHCL-HSZRJFAPSA-N	418.698	4.753	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1	793050497	WZBBYEPOPZUEPM-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c(O)c1	794383489	PLVWGBLELUCCNH-NDENLUEZSA-N	407.514	4.548	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)cc1OCC	794880831	AUVQISGUUNQGGN-INQNZLQJSA-N	422.319	4.539	50	20	HJGD	
Cc1cc(Br)cc2cc(C(=O)NNc3ncnc(Cl)c3C(C)C)oc12	798143385	RJGWUWYMIRXUOU-UHFFFAOYSA-N	423.698	4.827	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2ccc([N+](=O)[O-])cc2C)cc1C	805373517	RKWJMOYITOEXMD-UHFFFAOYSA-N	408.483	4.823	50	20	HJGD	
Cc1noc(C)c1C(C)(C)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	809102856	SWYQOZFWXYXEOX-UNOMPAQXSA-N	420.488	4.797	50	20	HJGD	
CC1(C)CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1[C@@H]1CCCO1	809853819	NTXLAMZZUTZWNY-UONOGXRCSA-N	421.453	4.922	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1c(F)cc(C(F)(F)F)cc1F	810687408	YKLDWQDUQSOSFR-UHFFFAOYSA-N	414.252	4.682	50	20	HJGD	
CC(/C=C(/C#N)C(=O)N(CC(F)(F)F)C1CC1)=C\c1ccccc1OC(F)F	811690904	HNWSPSGARBZIEA-DRIRWXSCSA-N	400.347	4.695	50	20	HJGD	
COc1cc([C@H](C)NC(=O)NNc2c(C)cccc2C(C)C)cc(OC)c1OC	813036046	BVMDCRNVFMSTDD-HNNXBMFYSA-N	401.507	4.532	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1C(F)(F)F	817013327	HNWJQSVFHHOINK-UHFFFAOYSA-N	417.231	4.895	50	20	HJGD	
N#C/C(C(=O)CSc1nccn1Cc1ccccc1)=C1\Nc2ccccc2S1	914526558	AUOHFMPYUPWHPO-SILNSSARSA-N	404.520	4.546	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc1OCc1ccccc1	915989180	BRAYODCCQCLDQP-RGVLZGJSSA-N	413.429	4.793	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2csc(-c3ccccc3OC)n2)cc1	916611775	KIUATDQMOKHLPX-SFQUDFHCSA-N	420.490	4.868	50	20	HJGD	
O=P(CCN1CC=C(c2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1	917073322	NXMOCCWLXNFHGT-UHFFFAOYSA-N	405.453	4.929	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2Cl)o1)NNc1ccc(Cl)cc1[N+](=O)[O-]	917214009	GKZVZMOJXNETPB-UHFFFAOYSA-N	421.240	4.633	50	20	HJGD	
CC(C)c1cccc(NC(=S)NNC(=O)CSc2nc3ccccc3s2)c1	917570673	HGRQBBIGJZZMTN-UHFFFAOYSA-N	416.597	4.530	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)C(=O)c3sccc3C)cs2)cc1	917621630	APSRQXNENXTSCI-GDNBJRDFSA-N	423.519	4.996	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N(C)[C@H](C)c3ccccc3Cl)cc2C1	918002900	ZDJPQFHPQUCJMP-QWHCGFSZSA-N	405.951	4.574	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)c1C	918668459	ILFJFWCQUQKNHK-HMAPJEAMSA-N	420.557	4.897	50	20	HJGD	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NNC(=S)Nc1cccc(Cl)c1	918679831	NCAODKOAZCRROF-AWEZNQCLSA-N	405.951	4.557	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2csc(-c3ccc(Cl)s3)n2)c1C	920033187	LBYACDBUZSQCDH-UHFFFAOYSA-N	422.988	4.773	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1	920033421	ZXVPOIAVRPAMEM-SNVBAGLBSA-N	419.230	4.967	50	20	HJGD	
N#C/C(=C\c1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)c1ccc2c(c1)OCO2	920069141	VEKRWSKIWRZXOK-MDWZMJQESA-N	412.232	4.698	50	20	HJGD	
CCN(C[C@H]1CCOC1)C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	920748607	CINKGZMBYLBOMI-HDOAHBKWSA-N	411.933	4.540	50	20	HJGD	
CCCCOc1ccc(-c2nnc(-c3c(C)nn(CCCl)c3C)o2)cc1OC	1261429123	OZQUFEDUKVTQQZ-UHFFFAOYSA-N	404.898	4.643	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNC(=S)Nc1cccc(C)c1C)c(C)n2C1CC1	1328493246	XVFQVQHYQJQADR-UHFFFAOYSA-N	422.554	4.541	50	20	HJGD	
Cc1c(/C=C(\C#N)c2nnc(COc3ccc(C(C)(C)C)cc3)o2)cc(C#N)n1C	1345704754	CGTIPIHBVMOGJZ-LICLKQGHSA-N	401.470	4.529	50	20	HJGD	
Cc1cc(C)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)c1	1814697531	KXZQLPYDPQNWMT-SFHVURJKSA-N	416.953	4.597	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820904861	HYUWSJPQZWWRFM-FJHQEINZSA-N	420.985	4.946	50	20	HJGD	
CCc1nc2ccc(C(=O)NNC(=S)Nc3ccccc3C(C)C)cc2nc1CC	727174142	HADUZNHMSZHOBO-UHFFFAOYSA-N	421.570	4.509	50	20	HJGD	
Cc1nn(C)cc1[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	727737808	BRPVZJVOWQTAQU-BKQORJHRSA-N	421.932	4.574	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)c1sc2cccc(F)c2c1COc1ccccc1	728608399	WYSVXLCMPGBMME-UHFFFAOYSA-N	414.502	4.817	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NN=c2cc[nH]c3ccccc23)cc1OCC	730288516	PVCFWJWBPAAUHZ-UHFFFAOYSA-N	413.905	4.645	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c(C)c1	730595972	IVPXIFFALWZLIT-HUUCEWRRSA-N	408.354	4.732	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3ccnc4ccccc34)cc12	731314431	DYWVQOUHXRXHMB-UHFFFAOYSA-N	411.490	4.708	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc3ccccc3nc2O)c1C	733415649	FYBNVEZORGTKHB-DEDYPNTBSA-N	403.482	4.809	50	20	HJGD	
Cc1cc(NNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)ccc1Br	734253331	SWQYFKBBRRKKSM-UHFFFAOYSA-N	405.683	4.558	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H](Cc1ccccc1)c1cccs1	735188472	FAONEGMTZHBIJS-LOXVZWDBSA-N	423.582	4.579	50	20	HJGD	
N#Cc1ccc(NC(=S)NNC(=O)Nc2ccc(Cl)cc2Cl)cc1Cl	741501053	BXELYQIBZDVWOY-UHFFFAOYSA-N	414.705	4.542	50	20	HJGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1	747051501	QDUNYNFBSRKHHN-UHFFFAOYSA-N	420.812	4.676	50	20	HJGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1sc(-c2cccnc2)nc1C	747611102	QXFLWEGUEMYNNR-GFCCVEGCSA-N	410.568	4.854	50	20	HJGD	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NNc1cccc(F)c1	748089883	YWKAYNNTUFBOEN-UHFFFAOYSA-N	409.845	4.592	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1	748654750	ZYFNNVQZDXKGHW-UHFFFAOYSA-N	412.396	4.689	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	748670939	ZQZITACKZPICOK-UHFFFAOYSA-N	415.471	4.562	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1cc(Cl)ccc1Cl	748822046	VTAKSXAKPYRROP-UHFFFAOYSA-N	421.309	4.892	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c(C)n1CCC(C)C	750862877	QIMUVKJAZFRQKP-NNIWKIFQSA-N	403.530	4.812	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(C)nc2onc(C(C)C)c12	753175434	BFGCSGRQSCCNBD-UHFFFAOYSA-N	417.307	4.736	50	20	HJGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNc1nc(-c2ccccn2)nc(C)c1C	754233788	LASXONJPTGBTMX-MAUKXSAKSA-N	401.514	4.588	50	20	HJGD	
N#C/C(=C\c1ccc(Br)c(Cl)c1)C(=O)N(CC(F)(F)F)C1CC1	754826940	JVYVEUMLTLILCI-BJMVGYQFSA-N	407.617	4.563	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)cc1	755571129	QVQWBADWYFJFPB-UHFFFAOYSA-N	419.481	4.618	50	20	HJGD	
CC(C)c1ccc(Sc2ccc(NC(=O)NNC(=O)c3ccncc3)cc2)cc1	756294074	DQZPKSRMYDPLGW-UHFFFAOYSA-N	406.511	4.823	50	20	HJGD	
CC(C)(C)c1ccc(-c2ccc(C(=O)NNc3nc(O)c4ccccc4n3)o2)cc1	758296124	RVPGFQGYKJWYSV-UHFFFAOYSA-N	402.454	4.650	50	20	HJGD	
COc1ccc(C(=O)CCCCC(=O)NNc2ccc(Br)cc2C)cc1	759972886	ILBNMIZIFDLBNA-UHFFFAOYSA-N	419.319	4.653	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc(Cl)c2cccnc12	760238723	ALFZTVSMANGLOJ-UHFFFAOYSA-N	406.898	4.705	50	20	HJGD	
FS(F)(F)(F)(F)c1cccc(NC2CCN(CCN3CCOCC3)CC2)c1	762790360	LVBUCDRGXWRCGM-UHFFFAOYSA-N	415.472	4.553	50	20	HJGD	
O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	766548346	OTJNAZJSKZPORS-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	768385577	IIFSCKRQBNKVPH-SFHVURJKSA-N	406.368	4.572	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	768715283	KZZXEJKBIYENGG-UHFFFAOYSA-N	424.247	4.681	50	20	HJGD	
Cc1nc([C@H](NC(=O)CCCC[C@@H]2CCSS2)c2ccc(Cl)cc2)no1	771285836	ZMRJAJCXDYSKCT-NVXWUHKLSA-N	411.980	4.951	50	20	HJGD	
Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772955742	XFIZGGYLHQCNTB-UHFFFAOYSA-N	413.368	4.546	50	20	HJGD	
CC(C)Oc1ccc(-c2nc(C(=O)NNc3ccc(C(F)(F)F)cn3)cs2)cc1	775243593	OHTFNALHZCUNHI-UHFFFAOYSA-N	422.432	4.768	50	20	HJGD	
CCC1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCOCC1	777981209	BMMXDIVYUZVNAD-UHFFFAOYSA-N	409.442	4.829	50	20	HJGD	
C[C@@H](CCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)N1CCCCC1	778061770	PTMXGBLIMQQXJM-ZDUSSCGKSA-N	422.485	4.887	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1cn(CCOc2ccccc2Cl)c2ccccc12	781367439	BYLDEIKDPHVLGT-UHFFFAOYSA-N	424.863	4.665	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)C1(c2cccc(Cl)c2)CCCCC1	788566845	NETADIQFUBBHOV-UHFFFAOYSA-N	413.934	4.599	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1ccnc(Oc2ccc(F)cc2F)c1	789993879	HGZCATBEWNIASX-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc(C4CCC4)cc3)cc2)cc1	792217348	BRPNXTOMSCSPOX-UHFFFAOYSA-N	420.534	4.852	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc3ccccc3nc2C)c1C	801070492	JUQHTEXAQSTODC-DEDYPNTBSA-N	402.498	4.807	50	20	HJGD	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNc1ccc2c(=O)[nH]ccc2c1	803428962	SNAPDFZVUAYXEW-JXMROGBWSA-N	405.454	4.552	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cc2c(s1)CCCC2	804209012	HXTDAKHNDDYWHN-UHFFFAOYSA-N	418.444	4.860	50	20	HJGD	
N#Cc1nc(F)ccc1OS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	808345044	JUWNLFVTNBLZNK-UHFFFAOYSA-N	404.313	4.517	50	20	HJGD	
C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)CCCC[C@H]2CCSS2)C1=O	818638690	GNASIPBORVCMDL-MNEFBYGVSA-N	424.607	4.708	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2csc(COc3ccc(F)cc3)n2)cc1	825248983	NGVXGOVHDYLZES-YVLHZVERSA-N	408.454	4.820	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3nc(C(C)C)no3)c2C)cc1	858927067	GIODHZGJIQZIBR-ODLFYWEKSA-N	404.470	4.559	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCc2nc3cc(Cl)ccc3s2)cc1	901384966	FLHPHDDPTMIEEH-PTNGSMBKSA-N	411.914	4.614	50	20	HJGD	
N#C/C(=C/c1csc(Br)c1)C(=O)Nc1nc2ccccc2nc1Cl	913617921	ZTWKTCVELRFFQN-YHYXMXQVSA-N	419.691	4.653	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1C	914536479	YTIXNXJGFQJJIT-HRRCHGLFSA-N	419.569	4.784	50	20	HJGD	
CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc2[N+](=O)[O-])cc1	916138050	GSPPOIKVEHYYOD-MHWRWJLKSA-N	413.437	4.852	50	20	HJGD	
Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1Cc1ccco1	916254372	DOHRECLBKSIDBO-UHFFFAOYSA-N	420.296	4.582	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1c(F)cccc1N1CCCC1	916294854	JFHRZRYUFQVSPM-UHFFFAOYSA-N	417.484	4.622	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Oc2cccc(Cl)c2)c(-c2ccccc2)n1	916851942	MNVJZLWDLSDJQT-SFQUDFHCSA-N	402.841	4.630	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	918099996	KVTREEQQLPPZOP-SFHVURJKSA-N	406.313	4.603	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	920932005	OGHUJJPXOYUROX-UHFFFAOYSA-N	420.856	4.544	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCCO2)c1nc(-c2ccccc2)no1	921262136	QMVPYNYNXJTGAM-DHDCSXOGSA-N	424.254	4.725	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1Cl	1320970299	KUMKPSRQLHAXHI-UHFFFAOYSA-N	411.845	4.893	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1Oc1ccccc1	1322307344	FDRULTYDZGNVFL-HNNXBMFYSA-N	409.873	4.838	50	20	HJGD	
Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@](C)(Cl)CCl)cc3)CCC2)c(C)o1	1790491780	IVCKCWOUYNMORN-HXUWFJFHSA-N	423.340	4.880	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cc(F)ccc1Cl	1790669160	VFIWQHUHPZVYLU-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2Cl)CC1	1829446509	MIOPDXRYUFMVQQ-GDBMZVCRSA-N	417.402	4.652	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1	1830306022	GFAWYWLDPUBXAL-IAGOWNOFSA-N	422.978	4.745	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3c(C)noc3C)c2C)cc1	4405170	CYTDMQLHRMSZNC-UDWIEESQSA-N	419.481	4.748	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=S)Nc1ccc(C(C)C)cc1	7584618	AFVJHZUAGMMPJK-UHFFFAOYSA-N	410.568	4.873	50	20	HJGD	
COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CCCC[C@H]1CCSS1	22218832	ZOUKTQMZMWWZEA-OCCSQVGLSA-N	417.980	4.933	50	20	HJGD	
N#Cc1ccccc1COc1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1	108845240	ZFROWNBABRXYLL-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)c1C	208561386	BETUEWGSIQZXFE-RMNBPEERSA-N	423.542	4.618	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	208896303	UNXNHRIDYZSCNV-SQFISAMPSA-N	403.394	4.799	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)CC(=O)N3)c(C)n1C1CCCCC1	261410945	JVEYBHFVNALZOE-ODLFYWEKSA-N	402.498	4.650	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1C	302934595	HGUOUXBLGZLTNI-PVFDWLMNSA-N	421.516	4.674	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc([C@@H](C)O)cc2)c(C)n1-c1ccc(F)cc1	726193155	JWKWMUWLZLGCRC-QLTNSANVSA-N	417.484	4.510	50	20	HJGD	
CCSc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1	733769119	YUCMAIHFMZWNFG-JAORQVBISA-N	409.555	4.942	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2ccc(OC(C)C)cc2)c(C)n1C[C@@H]1CCCO1	735253543	MJESNJZKVGBGMB-BXDIUNCMSA-N	408.498	4.584	50	20	HJGD	
COc1ccc(CC(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1F	742005649	CXSBCFMBURGKTB-UHFFFAOYSA-N	422.081	4.589	50	20	HJGD	
CCC[C@H](CC)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	743837735	MSKPCLNWCHEEQJ-NXNYUAIASA-N	409.921	4.719	50	20	HJGD	
CN(C)c1cccc([C@@H]2CCCN2CCP(=O)(c2ccccc2)c2ccccc2)c1	744407244	OTULVDBIGQVDLI-SANMLTNESA-N	418.521	4.904	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1cc(Br)sc1Br	749273199	FMXPCWAAOAMPPO-UHFFFAOYSA-N	410.518	4.683	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(-c2ccc(F)cc2)on1	753171286	UNNYHXWNEWNVMR-UHFFFAOYSA-N	404.239	4.563	50	20	HJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	757606259	ZOQVQVZDSUWIOT-MRXNPFEDSA-N	416.506	4.878	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2sc(C)nc2CC(C)C)c1C	760835685	HVYFKGDLGXRUOG-GDXCHIGESA-N	414.575	4.821	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2csc(-c3ccco3)n2)c1C	763987332	PRIJCWIACVLXLZ-WQRHYEAKSA-N	408.527	4.845	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1C	765323947	VQEJJVOSPFWXJY-HZRVAISOSA-N	405.542	4.849	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(C(F)(F)F)ccc1Br	771030529	VXJYMQNAZWWISM-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
Cn1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)c(-c2ccccc2)n1	771526445	AQLULJBZUDFMPD-NTEUORMPSA-N	409.243	4.822	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1csc(Br)c1C	773918218	LHYLECWQKAJRBH-UHFFFAOYSA-N	418.154	4.901	50	20	HJGD	
COc1cc(/C(C#N)=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1[N+](=O)[O-]	774563028	WQWKEEBEWCZNLR-AUWJEWJLSA-N	408.395	4.699	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(Cl)cn2)c1C	781709115	XTHJNSIAUJSIAQ-UVSBIQGWSA-N	401.894	4.572	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(C3CC3)no2)c(C)n1-c1ccccc1F	781868090	UVDQUDUSHIISEN-GZQZNAIASA-N	420.444	4.705	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1	787337874	SACMDDMSHYOTLX-ZHZULCJRSA-N	415.518	4.829	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccccc1Sc1ccccc1	788559939	HRHWOERCHCPEIJ-UHFFFAOYSA-N	405.508	4.508	50	20	HJGD	
Cn1cc(C(=O)NNc2ccc(Cl)cc2Cl)c(-c2ccc(Cl)s2)n1	789820937	NYXNXSGYQIFPQR-UHFFFAOYSA-N	401.706	4.866	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccnc1OCc1ccccc1F	790805035	VCUGIUSESKHJLO-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
C[C@@H]1CN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C[C@H](C2CC2)O1	791729429	NIJRGDCHNISYCS-WDBKCZKBSA-N	408.873	4.937	50	20	HJGD	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)C3CCOCC3)cc2[N+](=O)[O-])cc1	794958831	PJNXHFOCLFQZGA-PDGQHHTCSA-N	408.479	4.957	50	20	HJGD	
Cc1sc(Br)c(C(=O)NNc2ccc(Br)c(F)c2)c1C	799722794	QGSPJQIKXBORCR-UHFFFAOYSA-N	422.117	4.786	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	805384922	UEXDKAINYRBMHL-HZPDHXFCSA-N	408.483	4.706	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1nccnc1C1CCC1	805463079	KSAXNEBECBTWGP-UHFFFAOYSA-N	405.936	4.648	50	20	HJGD	
O=C(NN=Cc1nccs1)c1ccc(CSc2nc3ccccc3s2)cc1	814698052	OAOJJQKUSNGMJQ-UHFFFAOYSA-N	410.549	4.809	50	20	HJGD	
CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)c1sc2nc(C)cc(C)c2c1N	814777867	YUQMBOABJXKYCH-FUHWJXTLSA-N	422.554	4.564	50	20	HJGD	
CC(=NNC(=O)CSc1ccccc1O)c1csc(-c2csc(C)n2)c1	814968531	HZSHYFBLTZWCOQ-UHFFFAOYSA-N	403.554	4.518	50	20	HJGD	
CC(=O)Nc1c(C)cccc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016260	MPMYSBKQPIEEJD-UHFFFAOYSA-N	419.325	4.748	50	20	HJGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1nc2ccccc2nc1Cl	915851933	GAOKEMQZTDCHQW-WQLSENKSSA-N	402.763	4.848	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1c(Cl)nc2ccccn12	916140377	PRUQQQZBRINFQA-WQLSENKSSA-N	401.253	4.504	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNC(=O)c1ccccc1	916248549	CVWMTDHBGFPYNZ-UHFFFAOYSA-N	414.440	4.876	50	20	HJGD	
CCCN1CC[C@@H](CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	919796732	KESJYMQRQDVTRW-WFASDCNBSA-N	409.905	4.759	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)COc3ccc(C)cc3)cc2)CCC1	1787799233	SHHMGSHPRZQODH-HXUWFJFHSA-N	414.933	4.525	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Br)cc2)CCC1	1791434157	FEDYGNQEVMIKTD-OAHLLOKOSA-N	421.379	4.896	50	20	HJGD	
O=C(/C=C/c1cccs1)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791604785	PZSYBPWZGMCQIU-CMDGGOBGSA-N	409.338	4.699	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1C[C@@H]1CCCO1	7970985	ALZUKMSRDKBASV-KDMTZKAISA-N	417.431	4.848	50	20	HJGD	
CCC(C)(C)C1CCC(=NNC(=O)c2ccc(CSc3nncn3C)cc2)CC1	8109466	MIZSZKKKAIALBF-UHFFFAOYSA-N	413.591	4.820	50	20	HJGD	
CSc1nc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c2ccccn12	60549552	XUTWDKBPQCIBQB-UHFFFAOYSA-N	401.706	4.773	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1cccc(NC(=O)c2ccncc2)c1	108570224	QJEOXDKOZJXHDJ-IBGZPJMESA-N	415.584	4.664	50	20	HJGD	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)N(CC(F)(F)F)C1CC1	732715180	OGCIENQZDYWPEJ-PDGQHHTCSA-N	400.400	4.726	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1csc(-c2ccc(O)cc2)n1	733807708	KIIVPADAKMZGTP-UHFFFAOYSA-N	424.707	4.689	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCCOC2CCCCCC2)c1C	740944438	BVGQLPAGHTXELG-SBGXLDQMSA-N	402.535	4.502	50	20	HJGD	
CCO[C@@H]1CC(=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)C12CCC2	741163594	NAQDYDDIBRCWOR-QGZVFWFLSA-N	403.935	4.716	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1	741471898	QLNDLMFRZPHGJO-XMHGGMMESA-N	412.445	4.679	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(Cl)cc(Br)cc1Cl)c1ccccn1	745289527	OSPMPFUDUHJBFX-MRVPVSSYSA-N	404.095	4.538	50	20	HJGD	
CN(Cc1ccccc1)Cc1cccc(C(=O)NNc2ccccc2Br)c1	748059184	SJCWFUZKZNHMIS-UHFFFAOYSA-N	424.342	4.838	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3ccc([N+](=O)[O-])c(O)c3)n2)c1	748145848	AWTXPYDERPDLKO-OVCLIPMQSA-N	420.450	4.586	50	20	HJGD	
COc1ccccc1Nc1nc(Cl)c(C=NNC(=O)CCc2ccccc2)s1	749747483	GBFDTHLCOSIBJI-UHFFFAOYSA-N	414.918	4.632	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H]1CCO[C@@]2(CCOC2)C1	752982129	WNCBLBRQIPHRJC-WFASDCNBSA-N	402.385	4.804	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(C#N)c(Cl)c2)cc1NC(=O)c1ccccc1	753303710	YZZYLSDYVYFAEW-UHFFFAOYSA-N	404.857	4.529	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3nc(C(F)(F)F)cs3)c(F)c2)cc1	755852668	JZCXWWWDASCLJO-UHFFFAOYSA-N	411.380	4.734	50	20	HJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1	758018528	XRFJYNFFDNHICY-VGOFMYFVSA-N	419.783	4.759	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c(C)n1C1CCCCC1	759472684	LPLXRWIQDGMXKD-PHZCAERGSA-N	419.573	4.823	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)c2ccc(-c3ccccc3)nn2)c(C)n1CC(C)C	760611138	VSBKMMNDBUPAOW-HYARGMPZSA-N	413.525	4.788	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1c(Cl)oc2ccccc12	761251911	IKYTZTNCYFTINB-UHFFFAOYSA-N	401.900	4.938	50	20	HJGD	
O=C(NCCCOC[C@@H]1CCOC1)Nc1cccc(S(F)(F)(F)(F)F)c1	762978223	JNJXRAWCBVBRPF-LBPRGKRZSA-N	404.401	4.909	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1CCCCC12OCCO2	766325103	AXSCFRWCCXCJPF-KBPBESRZSA-N	424.872	4.713	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1	767324939	UHMQBGKUOMVJFC-INIZCTEOSA-N	400.744	4.571	50	20	HJGD	
CC(C)c1c(C(=O)NNc2c(Cl)cc(F)cc2Cl)cnn1-c1ccccn1	768006850	DHKHWXRVHXAICF-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
COc1ccccc1CSc1ccccc1NC(=O)NNc1ccc(Cl)nn1	770072870	IQDZWNWGMHUUKC-UHFFFAOYSA-N	415.906	4.580	50	20	HJGD	
Cc1cc(C(=O)NNc2c(F)cccc2Cl)c2ccc(Br)cc2n1	770196446	CDRBLOLEUHXIPH-UHFFFAOYSA-N	408.658	4.855	50	20	HJGD	
C[C@H](NC(=O)NNc1c(F)cccc1Cl)c1ccc(OCc2cccnc2)cc1	771291177	VGPMRJSNRDTEJW-AWEZNQCLSA-N	414.868	4.840	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1nc(-c2ccccc2)oc1-c1ccccc1	774778680	LCANIFKOOIQSSP-UHFFFAOYSA-N	407.433	4.709	50	20	HJGD	
C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	776065917	KJYHOIKERPEZIQ-BDJLRTHQSA-N	408.873	4.705	50	20	HJGD	
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	776488641	PLLKTYVIAWHQIM-WNOSOOIWSA-N	419.573	4.923	50	20	HJGD	
C[C@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1OC(F)F	779524556	UWVLKOURNITCSL-JTQLQIEISA-N	405.323	4.574	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cccc(Br)c1Cl	780656431	IPRTXFUWCHUCSA-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1	780740345	XQQIECDDCBTJGA-UHFFFAOYSA-N	418.421	4.560	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N(CCO)Cc1ccccc1	782982190	KBKRRNSSFBICRC-UHFFFAOYSA-N	417.421	4.527	50	20	HJGD	
CSc1ccc(Cl)cc1NC(=O)C(=O)NNc1c(Cl)cc(F)cc1Cl	784878360	PCFQHXJUUGRKIO-UHFFFAOYSA-N	422.696	4.590	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	785362059	KMNRPYTVBPHBLO-GZTJUZNOSA-N	403.388	4.763	50	20	HJGD	
CSSCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	789698263	ROGGQGIQSUJRPS-MRXNPFEDSA-N	411.936	4.529	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1	793050321	NAHCUCBBWDJXGI-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
Cc1cc(F)c(F)cc1OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	793372439	LGIIVAAJHGHFER-GZTJUZNOSA-N	418.403	4.563	50	20	HJGD	
Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)C2CCOCC2)c1	794953989	QEHPRRMYCPCFSG-HZHRSRAPSA-N	411.505	4.810	50	20	HJGD	
Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)/C(C#N)=C3\Nc4ccccc4S3)n2)cc1	799336403	MJNPZACPFJOTDF-YJJAPZNASA-N	419.535	4.783	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)Nc1ccccc1	801987378	DTGVDMNUDXWEAP-IBGZPJMESA-N	413.449	4.651	50	20	HJGD	
O=C(CNCc1ccc(OCCCCl)cc1)Nc1cc(Cl)ccc1Cl	811476741	QSLUDKAURPFLGP-UHFFFAOYSA-N	401.721	4.729	50	20	HJGD	
N#C/C(=C/c1cn2ccc(Br)cc2n1)C(=O)c1cccc(C(F)(F)F)c1	811691398	OKJXSUQNJFQNHO-GHXNOFRVSA-N	420.188	4.905	50	20	HJGD	
COc1cc(OC)cc(Oc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cn3)cc2)c1	812242974	ZETGPTDNJWMKFG-CXUHLZMHSA-N	403.394	4.863	50	20	HJGD	
Cc1ccc([C@H](NC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)C2CC2)cc1	813543586	OEEDTNGUGPVBLD-IBGZPJMESA-N	420.538	4.522	50	20	HJGD	
C[C@@H]1SCCC1=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	814704342	UZYOENXVLZLABY-HNNXBMFYSA-N	415.518	4.611	50	20	HJGD	
C[C@@H]1C(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)CC[C@@H](C(=O)O)C1(C)C	814737142	XXPWFNQSKPNUAO-PBHICJAKSA-N	419.481	4.738	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CSc1ccc2c(c1)OCCO2	848501458	IFDNEUWYTUUFGI-UHFFFAOYSA-N	414.552	4.887	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(=O)OC)c(F)cc2F)c1C	881319756	ARWSCHXGXOMPHP-SXGWCWSVSA-N	415.440	4.516	50	20	HJGD	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC)cc1F	916128385	ZRMODJAZCCUMAM-AQTBWJFISA-N	418.472	4.510	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3ccccc3OC(C)C)cc12	916273004	MQMLKEHLQPZSIH-UHFFFAOYSA-N	418.522	4.947	50	20	HJGD	
CC(C)Oc1ccc([C@@H](C)NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1	916411933	AZYGSPCYMJBQLS-OAHLLOKOSA-N	415.559	4.509	50	20	HJGD	
O=P(CCN1CCC(OCc2ccccc2)CC1)(c1ccccc1)c1ccccc1	917075787	OIUFXQVRAYXDIH-UHFFFAOYSA-N	419.505	4.682	50	20	HJGD	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1ccc2ccccc2c1	917547026	KIXFBLVWKVPKFS-UHFFFAOYSA-N	423.520	4.698	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C#N)C(=O)Nc2ccccc2C)cs1	917562214	VZVMAQXLSXCIIS-LFIBNONCSA-N	420.469	4.821	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(Cl)nc2)c(C)n1-c1ccc(F)cc1	917724489	ZLUYRJCMMPSAPX-VCHYOVAHSA-N	408.864	4.505	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)cc1	918577048	UOUBOPQAZRVUPC-WEKPXBEKSA-N	417.553	4.683	50	20	HJGD	
O=C(NNC(=O)c1oc2ccccc2c1CSc1ccccc1F)c1ccccc1	921145895	OXOLSSMKVLCCFU-UHFFFAOYSA-N	420.465	4.939	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccccc3O)cc2)CCC1	1787194002	RCVBHKGHWHYMCY-SFHVURJKSA-N	400.906	4.547	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccc4[nH]3)cc2)CCC1	1788915806	XATPBILMEWMLFV-KRWDZBQOSA-N	424.932	4.718	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cc2[nH]ccc2s1	1791604393	XIIIMDYAGQIOCD-UHFFFAOYSA-N	422.337	4.781	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1ccc2ccoc2c1	1791606026	SIPOZCUROVUHIB-UHFFFAOYSA-N	417.292	4.984	50	20	HJGD	
C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1791733161	OTBGNLDEHIYQQH-KXBFYZLASA-N	402.897	4.534	50	20	HJGD	
CCCCCc1ccc(/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Cl)C3)cc1	1792970608	CCXWWMHWTDGAHY-TZBYOJGCSA-N	420.956	4.605	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2C)n[nH]1	1814593554	RUHSHAGJCLPTBI-WBVHZDCISA-N	423.344	4.695	50	20	HJGD	
Cc1cccc(C)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1	1814698987	XLOHDYFTSLCZMX-QGZVFWFLSA-N	416.953	4.597	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1	1824616344	KBWRRPDUASLYMO-FCHUYYIVSA-N	419.009	4.944	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1	1824618081	OEUYDVGRTWEARW-UXHICEINSA-N	409.014	4.594	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	7746925	ACEMTAFBEPLEMI-UOEVCUDDSA-N	404.901	4.678	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(F)cc2Cl)c1C	9843997	GJNXOSFKSCISFG-GHIJENOOSA-N	404.869	4.755	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1C	10414256	STUFXBWYHRYMEV-OQLLNIDSSA-N	423.847	4.552	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc3c(F)cccc3n2CC)c1C	728617432	MGPZAGNWXQICQT-LDADJPATSA-N	408.477	4.674	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cc3c(s2)CCCCCC3)c(Cl)c1OC	730430532	GHUYDHUSJAGZKB-UHFFFAOYSA-N	406.935	4.842	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1	730521540	YYFDSWFTPQSYOP-GOSISDBHSA-N	417.296	4.664	50	20	HJGD	
Cc1cc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)cc(C)c1OC(F)F	730572291	CRXAZLPHOBGUFX-UHFFFAOYSA-N	415.465	4.721	50	20	HJGD	
O=S(=O)(c1ccc(CCCCl)cc1)N(Cc1cscn1)c1ccccc1	731180318	XJWKGCIVSUPBTC-UHFFFAOYSA-N	406.960	4.710	50	20	HJGD	
C/C=C\COc1ccc(CCC(C)=NNC(=O)c2cnn(-c3ccccc3)c2)cc1	733077139	JJNGLJIOWGIIIE-LJXMXKSRSA-N	402.498	4.566	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)ncn1	734256317	DRTUDWBZUFTEJI-UHFFFAOYSA-N	413.437	4.522	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)N(C)C1CCCCC1	740765688	NOTZKVDGTWATQF-CPNJWEJPSA-N	410.949	4.900	50	20	HJGD	
O=C(NCc1nc(C(F)(F)F)cs1)NN(Cc1ccccc1)c1ccccc1	741091081	XCUWTQSHQCBTSM-UHFFFAOYSA-N	406.433	4.583	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1	744502981	WWIWZAPIHLAFBB-GMYFBSLISA-N	423.538	4.656	50	20	HJGD	
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NNC(=O)CCCc1ccccc1	747500556	KMXXIHIIWOWGEK-SJORKVTESA-N	401.938	4.528	50	20	HJGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1sc(-c2cccnc2)nc1C	747603251	ZIKJOGYSBYBMDF-UHFFFAOYSA-N	402.479	4.526	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCSCC3)cc2C)c1C	747684654	WJVGYKGWHSRPLO-RCCKNPSSSA-N	422.598	4.922	50	20	HJGD	
CCCN(CC)Cc1ccc(C(=O)NNc2ccc(F)cc2Br)cc1	748073606	NOSYJGYXEIEFBB-UHFFFAOYSA-N	408.315	4.577	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cccc(OCc2cccs2)c1	748077545	VYKCUDUMNJGZMV-UHFFFAOYSA-N	421.291	4.986	50	20	HJGD	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNc2ccc(C#N)cc2)cc1	748106467	SAHRDSBCSRTOOH-UHFFFAOYSA-N	410.477	4.791	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1	748563636	UWUCMDKECAYJLW-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1C	756871730	OPWCVRUJWROLGA-UHFFFAOYSA-N	422.529	4.577	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@H]1C[C@@H]1c1ccccc1	762642490	SQQDAIKJFLVATD-CABCVRRESA-N	406.376	4.955	50	20	HJGD	
O=C(NCc1csc(-c2ccco2)n1)NN(Cc1ccccc1)c1ccccc1	764375591	XSIOTUCKSCXROM-UHFFFAOYSA-N	404.495	4.824	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)C1(c2cccc(C(F)(F)F)c2)CCCC1	766670478	PXLZWPZHIWVGOI-UHFFFAOYSA-N	406.433	4.665	50	20	HJGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)C(=O)Nc1nc2ccccc2nc1Cl	768466383	FKSOGSAQJHBTMT-LDADJPATSA-N	411.852	4.891	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2	768592088	UPTIKIBJKZOIEP-LPGQDOADSA-N	417.509	4.778	50	20	HJGD	
N#C/C(=C\c1cccc2nccn12)C(=O)Nc1nc(-c2ccccc2Cl)cs1	769607897	NKVOWCRIVQNTKY-JLHYYAGUSA-N	405.870	4.657	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Nc3ncccn3)cc2)c1C	769672602	LDFZTAXWNCLERX-XMHGGMMESA-N	400.486	4.594	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ncc(Br)cc2C)c1C	769736452	MEJVTPQOCKAJTM-CXUHLZMHSA-N	401.308	4.527	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNc1c(F)cccc1Cl	770197228	ANJNVDHIUUHFLP-UHFFFAOYSA-N	407.276	4.751	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cncc(-c2ccc3c(c2)CCO3)c1	771026423	BBUAONHIYUHSLK-UHFFFAOYSA-N	400.265	4.747	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccnc(OC2CCCCC2)c1	772167793	BGWRCDJWCOZJRJ-UHFFFAOYSA-N	412.559	4.548	50	20	HJGD	
COc1cc(/C=C(\C(=O)NNc2cc(F)c(F)c(F)c2)c2ccccc2)ccc1O	773466590	IMENBJDFEIXVML-SXGWCWSVSA-N	414.383	4.502	50	20	HJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNC(=S)Nc2cccc(C)c2C)s1	773766458	MQLLADBDXWVFJF-UHFFFAOYSA-N	410.568	4.675	50	20	HJGD	
COCCOc1c(Cl)cc(NC(=O)NNc2ccccc2Cl)cc1Cl	774105906	VBOYOHKGDJEYPA-UHFFFAOYSA-N	404.681	4.821	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1oc2ccccc2c1COc1ccccc1	774774110	BHUXRNLMJUQNCW-UHFFFAOYSA-N	410.433	4.712	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cccc2[nH]c(-c3cccs3)nc12	775276184	RKVPTYSSTVTCSA-UHFFFAOYSA-N	404.282	4.750	50	20	HJGD	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(OC(F)(F)F)cc1	775544606	HOPVPBJMPXMHRA-UHFFFAOYSA-N	415.393	4.751	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	777481653	FKJIVNFNJGOEON-VKFLQFAXSA-N	414.347	4.720	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCN(C2CCCC2)CC1	777870796	SHNAWRHFVNEJCH-UHFFFAOYSA-N	420.469	4.593	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(C(=O)c2cccc(O)c2)cc1	780911321	CXPZIXDFBWEHQB-UHFFFAOYSA-N	401.249	4.687	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCO[C@H](c2ccco2)C1	782985549	PBPJTNRSUQBAJO-AWEZNQCLSA-N	419.393	4.699	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	786042678	CXESTNQKIOWKPA-UVTDQMKNSA-N	406.847	4.730	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1cccc(C)c1	786043596	ZXVQEOPSMITPRH-HYARGMPZSA-N	405.523	4.596	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1	787143802	CJABZAFSXKSQAT-XBNGYDHASA-N	414.259	4.532	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	787379093	FSBCJXSALWPJEN-FOWTUZBSSA-N	401.378	4.638	50	20	HJGD	
CCOCCOc1c(Cl)cccc1NC(=O)NNc1ccc(Cl)c(OC)c1	788592835	SYRCFHQUIWIAFI-UHFFFAOYSA-N	414.289	4.566	50	20	HJGD	
N#C/C(=C/c1cccc(I)c1)c1nc(-c2ccncc2)cs1	789129587	WBOZLAVNLKFBLO-ZSOIEALJSA-N	415.259	4.874	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)N(CC1CC1)C1CCC1	797392343	VNSRGZIPCDEAFV-KRWDZBQOSA-N	420.884	4.636	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cccc(Br)c1Cl	801944010	MQMXFYSRBLURPO-UHFFFAOYSA-N	409.593	4.665	50	20	HJGD	
O=C(CSc1ccccc1O)NN=Cc1ccc(-c2nc3ccccc3s2)o1	814970821	FLWULEOWXYAPBL-UHFFFAOYSA-N	409.492	4.504	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1	815104043	BFLIWKHSNINASJ-GJZGRUSLSA-N	419.437	4.676	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3nc4ccccc4n3C)c3ccccc3n2)cc1	816578935	VUPDFIXBUHYMCE-UHFFFAOYSA-N	423.476	4.554	50	20	HJGD	
Cc1nc(C(C)C)oc1C(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	816596472	DPGPQRDXEUTNJC-UHFFFAOYSA-N	405.669	4.533	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(C(F)(F)F)c1	816703549	JIPRSHJVPJYKRA-UHFFFAOYSA-N	411.767	4.779	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c(C)n1CC(C)C	913138141	WAPCXATZLBDTSA-YXFINDDBSA-N	421.541	4.864	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccc(C)cc1C	914514719	LPWHSOXAYYQDMF-DZSAKIAFSA-N	405.542	4.861	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1c[nH]c2ccccc12	916288017	SHLLFWLJCCHMPB-UHFFFAOYSA-N	423.451	4.924	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CCN3CCCCC3)cc2)cc1	918678653	CNTOFPDIPAZFMK-RELWKKBWSA-N	403.526	4.659	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC2(c3ccc(F)cc3)CCCC2)c1C	920820491	FFKLXZKAFUTBCD-ALDSOSFCSA-N	423.532	4.944	50	20	HJGD	
CCCOc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)cc1	1788586369	IGPHPUCQVGBNQG-IBGZPJMESA-N	418.896	4.758	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C)c2F)n[nH]1	1814582423	FWUJYUSDBXHZMD-NVXWUHKLSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816690879	VQOHPEJGWXBHAE-FUHWJXTLSA-N	408.974	4.780	50	20	HJGD	
CC1(C)CCC(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](F)Cl)n[nH]2)CC1	1818041588	JHEOMXKNLLPHBO-YJBOKZPZSA-N	412.937	4.543	50	20	HJGD	
Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c1	1830007781	XXRBRCCBTOINKN-NRFANRHFSA-N	419.009	4.802	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1	1830314325	DWNSJKBDMJNUGT-KJFKNKMQSA-N	409.014	4.594	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(OC)c2)cc(Br)c1OC	6284572	IZLJZNGQDMMPIP-OVCLIPMQSA-N	416.271	4.655	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cccc3ccccc23)c1C	27601897	GHGFIGGVSOEAEN-LUJYGJGBSA-N	401.510	4.689	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1	59269537	LXBAXQZQXZKOHJ-ANRKENSESA-N	407.473	4.922	50	20	HJGD	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1c(Cl)cccc1Cl	303332932	UAUSTYCYCOIMGS-SECBINFHSA-N	420.123	4.940	50	20	HJGD	
Cc1cc(OCCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)ccc1Cl	727793501	NASWEJPEILFEAU-UHFFFAOYSA-N	415.704	4.575	50	20	HJGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	728785986	BFISHMRAGDMQMQ-UHFFFAOYSA-N	403.429	4.912	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)c1C	729539814	QGDBEDNFEDFDER-ALFKQNEGSA-N	421.541	4.999	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3	730575302	OAUHHUIPTRJTKM-YVLHZVERSA-N	413.506	4.585	50	20	HJGD	
CC(C)(C(=O)NN=Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1	731153710	ZUONIUCYBIYCFK-UHFFFAOYSA-N	413.930	4.803	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(F)cccc2N2CCCC2)c1C	731462699	XAIFDJCRFHHDGS-VJOZSWGJSA-N	424.520	4.597	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cs1	732716523	TWTROUBZWJCIIH-GHRIWEEISA-N	408.527	4.526	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCc2nc3ccccc3n2C(C)C)c1C	735828715	ASHFEWIGRWUVAC-RCCKNPSSSA-N	417.557	4.711	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2nc(C(F)(F)F)cs2)c1C	740838515	OFPPRFXINIYQKF-NVNXTCNLSA-N	410.465	4.604	50	20	HJGD	
CC(C)Sc1ccccc1C(=O)NNc1c(F)cc(F)cc1Br	741978188	BFTBMPBSEIAQLP-UHFFFAOYSA-N	401.276	4.985	50	20	HJGD	
Cc1ccc(SCC(=O)NNC(=O)c2ccccc2Sc2ccccc2)cc1	742038116	OPHZKCABFAAUKU-UHFFFAOYSA-N	408.548	4.700	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(OC)c1O	747033390	RIZPEJZYWKZUFP-XNTDXEJSSA-N	416.449	4.990	50	20	HJGD	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NNc2cccc([N+](=O)[O-])c2)c1	748005142	OKHIDHYMQZYZTD-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	748583934	JAUXYGWCPPBNEV-MDWZMJQESA-N	405.332	4.558	50	20	HJGD	
CC(C)Oc1ccc(-c2nc(C(=O)NNc3ccc(OC(F)F)cc3)cs2)cc1	748649284	RKERXVHHPRPYKB-UHFFFAOYSA-N	419.453	4.956	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)c1C	749228541	FLOQKCYAZFPWDW-HYARGMPZSA-N	418.541	4.750	50	20	HJGD	
Cc1cnc([C@H](C)NC(=O)NNc2c(Cl)cc(Br)cc2Cl)s1	750662108	JZRNEABBTHCRPS-ZETCQYMHSA-N	424.151	4.908	50	20	HJGD	
CC(C)(C)c1ccc(S(=O)(=O)NC(=O)CCCC[C@@H]2CCSS2)s1	752609382	OJCFSRMOBWSYDC-GFCCVEGCSA-N	407.648	4.565	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)N[C@H](c1ncc(C)s1)C1CC1	753194132	CUNSWSWBWUJZQP-HNNXBMFYSA-N	409.353	4.554	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1OC	764888197	UDPXPDIQHBEZLN-CXUHLZMHSA-N	400.272	4.955	50	20	HJGD	
COc1cc([C@H](C)NC(=O)NNc2c(C)cccc2F)ccc1OCc1ccncc1	771300640	BWRVLHPJTKLDKL-INIZCTEOSA-N	424.476	4.504	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCC2=O)c(Cl)c1	775469335	DZNMKASNZDGNNM-UHFFFAOYSA-N	412.799	4.634	50	20	HJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=C3CC=C(c4ccc(F)cc4)CC3)sc2n1	776764281	XWTDARZISFRREK-UHFFFAOYSA-N	408.502	4.988	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1	777482843	SABYADGYRAMSJD-UHFFFAOYSA-N	410.477	4.577	50	20	HJGD	
C[C@@H](c1ccccc1)n1ccc(NC(=O)NNc2ccccc2OC(F)(F)F)n1	779440232	VJDFVDHUDNMALK-ZDUSSCGKSA-N	405.380	4.540	50	20	HJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)Nc1nc2ccccc2nc1Cl	779800758	XBPZZNWQJIQWHN-JLHYYAGUSA-N	413.264	4.881	50	20	HJGD	
Cc1nn(Cc2ccc(C(=O)NNc3ccc(C(C)(C)C)cc3)cc2)c(C)c1[N+](=O)[O-]	780805917	JLGIXCGGTSJIHH-UHFFFAOYSA-N	421.501	4.511	50	20	HJGD	
C[C@H]1CC[C@@H](CC(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783463905	XBMYYNRVHBZSQO-WDEREUQCSA-N	407.426	4.975	50	20	HJGD	
CCn1ccc(CN(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	790883287	BUDBGPPHCWFMDY-UHFFFAOYSA-N	404.426	4.986	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1sc(-c2ccc(Cl)s2)nc1C	805376062	JFXOIUAEPQERCC-UHFFFAOYSA-N	408.892	4.807	50	20	HJGD	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1nccnc1C1CCC1	805465396	JXGQORHWNCZTTF-GFCCVEGCSA-N	413.934	4.570	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c(C)n1CCC(C)C	812774059	DOPFAHXVXVZSIQ-KGENOOAVSA-N	418.541	4.589	50	20	HJGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C	817014641	RFRQURGMQKUMSZ-RNCFNFMXSA-N	410.358	4.809	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1C	843507100	HGUOUXBLGZLTNI-TTXZLZEXSA-N	421.516	4.674	50	20	HJGD	
CCC(CC)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	852997409	CGLCUGBSJNKQFB-WRDGEJPTSA-N	413.562	4.754	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NNc2ccccc2C(F)(F)F)c1C	912638492	JQBOQIDAELHKFP-ATVHPVEESA-N	404.436	4.974	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(OCc2cccs2)c1	915064319	FVWGVCQJTWVWNB-UHFFFAOYSA-N	421.305	4.709	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OC(F)F)cc1	915851040	VRJBPNMZWDLTOR-WQLSENKSSA-N	423.213	4.605	50	20	HJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1C	915855217	CUOYVWZTLCUJKV-XDHOZWIPSA-N	409.917	4.648	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)cc(OCC)c1OCC	916290574	ZMKMIPQGZPWSPB-IAGOWNOFSA-N	402.535	4.959	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1C	916403026	XYJLNOCSKUQAFX-VVRYKASASA-N	418.541	4.574	50	20	HJGD	
O=S(=O)(N[C@H](c1ccccc1)c1ccc(F)cc1)c1ccc(CCCl)cc1	917899930	NZUMILPNCNBTIG-OAQYLSRUSA-N	403.906	4.675	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H](c1ccc(Cl)cc1)c1ccsc1	920047867	WZINEAFNRGYWLZ-QGZVFWFLSA-N	402.863	4.725	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(NC(=O)CC(C)C)c2)c1C	920818061	GWSCFWYIWRFEGW-HYARGMPZSA-N	420.557	4.723	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(COC3CCCCC3)c2)cc(C#N)n1C	921167876	IZGAZFHYWGVDHI-UDWIEESQSA-N	402.498	4.600	50	20	HJGD	
COc1ccc(OCc2ccccn2)c(C=NNC(=O)c2ccc3ccccc3c2)c1	921258195	PANPKRNHKJEGPB-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1cccc2c1OCCO2	921278290	RAKQQTPZDPZHDU-INIZCTEOSA-N	403.809	4.929	50	20	HJGD	
Cc1ccc2cc(/C=C(/C#N)c3nc(N)nc(Nc4ccccc4)n3)c(Cl)nc2c1	1317753201	DUTZQIREXGRLMT-WJDWOHSUSA-N	413.872	4.772	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2cncc(Br)c2)c1	1335933968	JIDWMNWWGYIUNQ-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2sc3ccccc3c2Br)nn1	1343517367	OCSQMJVCTUKJRF-UHFFFAOYSA-N	405.321	4.508	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C)cc2)CCC1	1789214989	YWKVSSXNTYDENM-QGTPRVQTSA-N	421.379	4.730	50	20	HJGD	
CCCOc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)cc1	1790338978	GDHMPYHBKLILED-LJQANCHMSA-N	418.896	4.758	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(N(C)C)c3)CCC2)cc1	1790489568	GPWCGVQQOCAWNV-FQEVSTJZSA-N	413.949	4.518	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cscc2C)CC1	1827802835	SGCTWPQHYIDSGJ-RBUKOAKNSA-N	411.011	4.697	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc3c(s2)-c2ccccc2OC3)c1C	10742715	ABKURVXIEYLSPX-UHFFFAOYSA-N	409.536	4.556	50	20	HJGD	
O=C(NN=C(c1ccccc1)c1ccccc1)c1cccc(NC(=O)c2ccco2)c1	71946571	FXLQINQFHZLQTP-UHFFFAOYSA-N	409.445	4.714	50	20	HJGD	
O=C(NN=Cc1cnc(-c2ccccc2)s1)c1ccc(COc2ccccc2)o1	727253368	GXCVDICAJZAKHO-UHFFFAOYSA-N	403.463	4.746	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)CCc2ccccc2)c1C	727343463	LXPLWQLCXDGCBE-MIDMBNTASA-N	407.558	4.747	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@@H](C)Sc2ccccc2Cl)cc1	727494321	GZFRYZZBDOFGPK-CYBMUJFWSA-N	423.991	4.626	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cn(-c2ccccc2)nc1-c1cccs1	727759173	SBRLCINUDPKZOW-UHFFFAOYSA-N	414.412	4.775	50	20	HJGD	
Cc1ccc(NNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)nn1	730064811	OBENQPKXWNVNHA-GOSISDBHSA-N	402.285	4.508	50	20	HJGD	
N#C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(OC(F)(F)F)cc1	731197024	LNQHOPNTLGTVRI-LSDHHAIUSA-N	404.479	4.980	50	20	HJGD	
C[C@H](CCC1CCCCC1)NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	734449252	WBHUSGWWYMXCDK-GOSISDBHSA-N	422.573	4.522	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3cccc(C(F)(F)F)n3)cs2)cc1	740141664	NAKXIFJJNHHNSF-UHFFFAOYSA-N	422.432	4.770	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)CCc2c[nH]c3cc(C)ccc23)cc1	746021487	FCMIXQGDJILTRR-UHFFFAOYSA-N	408.571	4.769	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(F)cc2)nc2ccccc12	748005041	HIBYJSKJSRAZOW-UHFFFAOYSA-N	402.385	4.706	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1cccc(Br)c1)c1ccsc1	748030874	XGYVEDDUFLYTTE-UHFFFAOYSA-N	416.300	4.520	50	20	HJGD	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC	751443703	PSICJDTVHOUVQI-NTEUORMPSA-N	404.438	4.873	50	20	HJGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)n1	753450796	XYABPJJBIFHIHT-UHFFFAOYSA-N	424.675	4.568	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	753813774	FZFJWHXBDGXPLT-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
O=C(Cc1csc(-c2cccs2)n1)NNc1cc(C(F)(F)F)ccc1F	754152297	GWOHWKROQZQRPS-UHFFFAOYSA-N	401.410	4.715	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(OC)c(Cl)c2)c1C	761811455	GJHXMYAISLZJNI-SMLKNPDNSA-N	416.905	4.625	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)C1(c2ccc(F)cc2F)CCCC1	762002938	INWHLFJZSOSFDU-UHFFFAOYSA-N	414.374	4.861	50	20	HJGD	
Cc1ccc(C(=O)CCC(=O)CCC(=O)NNc2c(Cl)cccc2Cl)s1	763616459	RNIBRGFLDMDBNH-UHFFFAOYSA-N	413.326	4.819	50	20	HJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)c1	764125493	XXEFNJVZSNZDKX-UHFFFAOYSA-N	421.682	4.526	50	20	HJGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1nc(-c2ccncc2)cs1	767351421	ARMMPQZRVNLXHD-AQTBWJFISA-N	404.495	4.930	50	20	HJGD	
Cc1cc(C)n(Cc2cccc(C(=O)NNc3c(Cl)cc(F)cc3Cl)c2)n1	767401993	KXYRVVLPTLOFNF-UHFFFAOYSA-N	407.276	4.751	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)N[C@@H]1CC12CCCCC2	771222273	IWYVOBHITUMMEC-CZUORRHYSA-N	420.884	4.683	50	20	HJGD	
C[C@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cccc(O)c1	773367842	QJFYYLNKPWDWHJ-JTQLQIEISA-N	410.364	4.866	50	20	HJGD	
O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NNc1ccc(C(F)(F)F)cn1	775256658	GJZXQAUIJAPCDW-UHFFFAOYSA-N	420.218	4.904	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(C(=O)NNc2ncc(Cl)cc2Cl)ccc1F	775271358	KFZZOTMYXGCOFQ-UHFFFAOYSA-N	415.252	4.631	50	20	HJGD	
COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782973888	KAKWSRKLLOQNOD-UHFFFAOYSA-N	418.361	4.933	50	20	HJGD	
O=S(=O)(NCc1cc(Cl)ccn1)c1ccc(S(F)(F)(F)(F)F)cc1	782984729	SNZQPRBGDXKYIF-UHFFFAOYSA-N	408.801	4.871	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC([C@H]2CCCO2)CC1	784038687	JOZTYVGUENKLQT-OAHLLOKOSA-N	421.453	4.924	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)ccc1OCCC(=O)O	784961738	IVCAGAQDTSQMIK-JYRVWZFOSA-N	414.870	4.876	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1	787135230	SGZULBMHYFYCCT-UHFFFAOYSA-N	423.275	4.957	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(Cl)ccc(F)c2C)c1C	791040297	BNADQNPOPWPMNE-ZLYHGVDXSA-N	403.885	4.959	50	20	HJGD	
Cc1nc(-c2cccc(NC(=O)C(=O)NNc3cc(Cl)cc(Cl)c3)c2)cs1	792441339	NIBABKYJVDRLDQ-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c1C	794214204	QVADFCMXTKYGCA-QREGZJMFSA-N	417.513	4.557	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)C1CCOCC1	794958463	LUBSGTIFNQANTP-WJDWOHSUSA-N	412.829	4.943	50	20	HJGD	
CCCN(NC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)OC(C)(C)C	804595255	PFITUDFUZWTNGY-UHFFFAOYSA-N	406.486	4.589	50	20	HJGD	
Cc1cccc2cc(/C=C(/C#N)c3nc(N)nc(Nc4ccccc4)n3)c(Cl)nc12	810213992	KXSQKGMRLIYONP-WJDWOHSUSA-N	413.872	4.772	50	20	HJGD	
O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccc(OCCCCl)cc2)CC1	811461290	JYOUNJJMMIMXRT-UHFFFAOYSA-N	404.913	4.684	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2csc3ccccc23)c(C)n1C[C@@H]1CCCO1	915712693	XEUVWPNUVOXPMF-MRCZTLKWSA-N	419.550	4.722	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NNc1ccc(Cl)cc1Cl	915930856	NIICUTRRRMKESJ-UHFFFAOYSA-N	404.301	4.622	50	20	HJGD	
COC(=O)c1cccc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	918561683	CALQAHRZOXENAC-MRXNPFEDSA-N	403.809	4.945	50	20	HJGD	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)Nc1cccc2ccccc12	920834092	VQBPFRQZSADDCU-XNTDXEJSSA-N	409.348	4.895	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1	1830007255	KLIIFOIERWSYCI-VXKWHMMOSA-N	419.009	4.944	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1OC	8202604	QJAYGANEIYOARA-RIYZIHGNSA-N	404.235	4.785	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	23391451	XLEJTDSROXELMT-SFQUDFHCSA-N	419.462	4.555	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1	63276749	GUEMLAWLVRXBED-AUWJEWJLSA-N	411.508	4.783	50	20	HJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cs2)cc1	141371203	LCHOGUZADHWJIL-UEXNTNOUSA-N	403.507	4.815	50	20	HJGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1	206855365	YNBAYBCJEUKINW-YVLHZVERSA-N	417.383	4.929	50	20	HJGD	
O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	219014226	JBCYUYNKNMUXAB-QGZVFWFLSA-N	417.836	4.858	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	730289094	UJFSQRXBQHLRIW-QFIPXVFZSA-N	421.472	4.912	50	20	HJGD	
O=C(CCCc1cccs1)NNc1ccc(Br)cc1C(F)(F)F	731479263	ROGFPOUHGBLJBY-UHFFFAOYSA-N	407.255	4.995	50	20	HJGD	
CNc1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc(Cl)n1	742132081	IKGBVHZVJZXAGN-UHFFFAOYSA-N	424.513	4.603	50	20	HJGD	
CN(Cc1c(Cl)cccc1Cl)C(=O)NNC(=O)c1ccc2ccccc2c1	746211142	HKRZSZYWLACMQR-UHFFFAOYSA-N	402.281	4.633	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc(-c2ccccc2)n(-c2ccccc2)n1	748654465	SHSSEEPIQTYYRH-UHFFFAOYSA-N	420.419	4.898	50	20	HJGD	
CC(C)Oc1ccc(-c2nc(C(=O)NNc3cccc4cnccc34)cs2)cc1	748769152	CWBJCLDGSQIUBF-UHFFFAOYSA-N	404.495	4.902	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1nn(-c2ccccc2F)c2c1CCC2	752810440	QDHZZJIYMKGWFQ-UHFFFAOYSA-N	405.260	4.564	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2ccccn2)ccc1Cl	755166833	CFGRUUPKZJVOPN-UHFFFAOYSA-N	403.225	4.721	50	20	HJGD	
CC[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@@H](c1ccc(C)cc1)n1cncn1	756156600	KSOWPGODFKJDRO-SVFBPWRDSA-N	418.632	4.785	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3ccc(OC(F)(F)F)cc3)cs2)c1	761591353	ODQZTKOPFBMNBX-UHFFFAOYSA-N	407.417	4.703	50	20	HJGD	
C[C@H](C(=O)NNc1nc(C(F)(F)F)cs1)c1cccc(C(=O)c2ccccc2)c1	762260448	LWJWGWPTTHVROH-LBPRGKRZSA-N	419.428	4.640	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1	762998070	RXLAJYVCJFAJGH-OAQYLSRUSA-N	411.933	4.657	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H](c2cc[nH]n2)C1	777885027	SPVPYKFSULZKRP-NSHDSACASA-N	417.425	4.635	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccc(SC(F)F)cc2)c1	781593530	VIHVMTJHYLEPID-UHFFFAOYSA-N	415.259	4.536	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1	782115689	OFVPQUNOCZHWNX-NSHDSACASA-N	410.364	4.924	50	20	HJGD	
COCc1cccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782981815	DLRVWBFOMYIZBJ-UHFFFAOYSA-N	417.421	4.969	50	20	HJGD	
CC(C)(CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCCC1	782984886	YILNMYXRLJCOIB-UHFFFAOYSA-N	422.485	4.887	50	20	HJGD	
Cc1cccnc1NNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1	791215552	VEMNPIASWQJHGZ-UHFFFAOYSA-N	411.918	4.568	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccnn1-c1ccc(F)cc1	794870076	ROGHRYRTZKTNGD-GXDHUFHOSA-N	410.836	4.528	50	20	HJGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	794871983	QQQZNHCTDWOETQ-UHFFFAOYSA-N	421.662	4.641	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2csc(-c3ccc(Cl)cc3)n2)cc1	797306704	ATHDIOSUZXGIAZ-YBEGLDIGSA-N	409.898	4.695	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1oc(C(C)C)nc1C#N	797716521	SVZQVHCMDZNGON-UHFFFAOYSA-N	420.256	4.697	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1C	798017308	LSOPDGUSHMIMGY-FLLLVTSASA-N	411.933	4.545	50	20	HJGD	
Cc1nccnc1N1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	799410312	KOLSLBPCYKGSND-UHFFFAOYSA-N	423.411	4.797	50	20	HJGD	
CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)CCCC[C@H]1CCSS1	800689953	UXTCCFNQMMKMTQ-HOCLYGCPSA-N	413.630	4.841	50	20	HJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1C	809145684	CYOFLEAOXXVFQP-NDENLUEZSA-N	413.477	4.655	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O	812767965	YMBUXJPCBLGRGG-QGZVFWFLSA-N	403.935	4.718	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccccc3)nc2C)c(C(F)(F)F)c1	816703395	CKIBQCHYJQBQDA-UHFFFAOYSA-N	401.388	4.841	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(C)c(-c3ccccc3)s2)c1C	914735006	JBPVKUOXFCEWGB-MOSHPQCFSA-N	420.538	4.729	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccccn2)C(C)C)c(C)n1-c1ccc(F)cc1	917776281	OECVMSWVXAIJDG-STZFKDTASA-N	416.500	4.972	50	20	HJGD	
C=CCN(Cc1ccccc1F)C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	918171269	WSNXKRKTXSFBNI-SINAZASISA-N	421.516	4.545	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(F)c(F)c2)c1C	918817156	ADNHKLVZAJJSOY-IKKOKKJKSA-N	402.441	4.802	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCc3c(Cl)cccc32)c(C)n1C[C@H]1CCCO1	919873478	UZSGJTBHRCFKEW-OMCGYZILSA-N	423.944	4.648	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1	1790484282	IOYHINKLAFBBJJ-OAQYLSRUSA-N	423.944	4.642	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccccc1Br	6607791	BRXWCBRWYTVOMK-MDWZMJQESA-N	405.679	4.965	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)c1C	208150151	GOLVIELTZZCIJP-CAHDGBBWSA-N	423.557	4.951	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)c1	210578572	WZXLCXICTVMJGL-PTNGSMBKSA-N	405.435	4.878	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c2c(c1)C[C@H](C)O2	727744234	DLNILVVPAXMJAT-AAWHYMEISA-N	416.449	4.879	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c(C)n1C1CCCCC1	727806230	QGXWWOGCXBBLCU-UHFFFAOYSA-N	408.329	4.992	50	20	HJGD	
COc1cc([N+](=O)[O-])c(C(=O)NN(c2ccccc2)c2ccccc2)cc1SC	728455145	BUEDFXKFGPGMDT-UHFFFAOYSA-N	409.467	4.808	50	20	HJGD	
Cc1ccc(C(=O)N[C@H](CC(=O)NNc2cccc(Cl)c2)c2ccccc2)cc1	729838455	PEQRRGNSCWMDIS-OAQYLSRUSA-N	407.901	4.653	50	20	HJGD	
CCn1cc(C=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cn1	732527074	GRTYOARJTUWQLH-UHFFFAOYSA-N	421.551	4.569	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H](OC1CCCC1)c1ccccc1	732977027	YHEBDKDMRYCZLT-GOSISDBHSA-N	412.877	4.534	50	20	HJGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)c1csc(-c2csc(C)n2)c1	733078108	HBJVKIMVGSETMN-UHFFFAOYSA-N	407.524	4.520	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2c(C)noc2C)c1C	733764175	PTYWYBNNJOWRED-GKXUUXLPSA-N	402.498	4.792	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCSC[C@@H]2c2ccccc2)c1C	734396375	GKQABVRQHBUOST-QQQSUWHHSA-N	423.582	4.536	50	20	HJGD	
C[C@@H](CNC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(C)(C)C	734696155	NNMYAPUNHKUYPB-BONVTDFDSA-N	410.889	4.643	50	20	HJGD	
Cn1nc(-c2ccccc2)c(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)c1Cl	734744097	ZWJQADWFYODSRB-UHFFFAOYSA-N	424.932	4.567	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1C	736528254	SBWCNBKXAZRPHD-JEZTYOPWSA-N	423.532	4.763	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1OCC	740136425	QZDCEXZLRSZCIY-UHFFFAOYSA-N	417.815	4.698	50	20	HJGD	
N#Cc1ccc(C=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)o1	743421019	MQWYTPUKTOKZND-UHFFFAOYSA-N	418.503	4.817	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1	743505845	HTRPOQIUHLQRQJ-ZDUSSCGKSA-N	401.388	4.564	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3nnc(CC)o3)cc2)c1C	743806825	ZHRLIFCPEDMTPV-UYRXBGFRSA-N	403.486	4.673	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)Cc3nccs3)c2C)cc1	746362095	USSGJIJYAIQURP-CPNJWEJPSA-N	420.538	4.515	50	20	HJGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1ccccc1Br	748067944	HBBAUSKQKJLROE-UHFFFAOYSA-N	400.276	4.570	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Br)cc2C)ccc1OCC(C)C	748737146	REOBZYKEYOQGKO-UHFFFAOYSA-N	407.308	4.558	50	20	HJGD	
CCN(Cc1c(F)cccc1F)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	751215036	GUMLNSZGBYZVDW-VXIUPONVSA-N	415.484	4.546	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc3c(C)cccc3[nH]2)c1C	754700142	LOKNSBFBFSXAPG-MZYRPWKCSA-N	405.498	4.752	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@H](c1ccccc1)c1cccc(F)c1	755109998	NINGEYIYLKDGLP-HSZRJFAPSA-N	413.452	4.713	50	20	HJGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cc(Cl)ccc1Sc1ccccc1	759726502	DTAMZXKNWAMHHY-UHFFFAOYSA-N	423.885	4.693	50	20	HJGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)[C@H](C)C1	761255807	QUTICUXCKDQTTK-UKRRQHHQSA-N	402.491	4.639	50	20	HJGD	
O=C(CCCc1nc(-c2cccs2)no1)NNc1c(Cl)cc(F)cc1Cl	767409497	LQPBMGKBSIBXEW-UHFFFAOYSA-N	415.277	4.710	50	20	HJGD	
CC1(C)CC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	769003407	CQTXULXCKXAYHX-ZUZCIYMTSA-N	408.873	4.539	50	20	HJGD	
O=C(Cc1cccc(OCc2cccnc2)c1)NNc1c(Cl)cc(F)cc1Cl	770774984	LXEMOLQRTQENMI-UHFFFAOYSA-N	420.271	4.792	50	20	HJGD	
CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NNc1c(F)cccc1Cl	770809908	CKSXZXSWPJIOEV-UHFFFAOYSA-N	416.305	4.715	50	20	HJGD	
N#C/C(=C\c1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)c1cc(F)cc(F)c1	773171875	PUAIWYGPSPJMQT-NTUHNPAUSA-N	414.209	4.907	50	20	HJGD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777976547	WCTVIGXOLZSUDU-MJBXVCDLSA-N	421.453	4.826	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OCC(F)F	778518894	SMEKEJZHJNEPPM-APSNUPSMSA-N	416.380	4.654	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Br)c1	779200507	HOTVWJNOVHTSPN-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
CC(=O)c1cccc(OCc2cc(C(=O)NNc3ccc(C(C)(C)C)cc3)no2)c1	781042840	WNMWHQWDHIASJD-UHFFFAOYSA-N	407.470	4.511	50	20	HJGD	
C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	788913360	OCCKJSWKTUOKPP-CHWSQXEVSA-N	422.485	4.743	50	20	HJGD	
COc1cc(NNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)ccc1Cl	790177432	GWOXKQOSRCNWCG-UHFFFAOYSA-N	409.873	4.607	50	20	HJGD	
Cc1cc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)c(C)n1[C@@H](C)c1ccccc1	791273516	WVYWNKSXZZRRIC-KRWDZBQOSA-N	419.529	4.565	50	20	HJGD	
C[C@@H](c1cccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)c1)N1CCOCC1	792300321	XSRWJZGDXQSDOX-ZDUSSCGKSA-N	409.317	4.535	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc2nc(-c3ccccc3)oc2c1	795165125	XHTRWWAWUVYSKI-UHFFFAOYSA-N	404.373	4.727	50	20	HJGD	
O=C(NNc1cccc(F)n1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	796637464	BINYUHTVVJVGKP-UHFFFAOYSA-N	412.277	4.723	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cc(OC)c(C)c2C)c1C	809190226	DDQVFEXAGCZYMG-SJJOQSKNSA-N	409.530	4.792	50	20	HJGD	
CC(=NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)C1CCN(C)CC1	814713971	MCCSWOFABZIJSK-UHFFFAOYSA-N	400.526	4.658	50	20	HJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	917215813	GMNZAVMFLPYGTB-UHFFFAOYSA-N	403.847	4.742	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2csc(N(C(C)=O)c3ccccc3)n2)n1	920399239	RCNLMTRZGXZDNC-NTEUORMPSA-N	424.507	4.525	50	20	HJGD	
Cc1ccc(CN(Cc2ccco2)C(=O)NNC(=O)c2ccc3ccccc3c2)s1	921073293	UBHWQEBFEPDZQR-UHFFFAOYSA-N	419.506	4.860	50	20	HJGD	
O=C(NCc1cccc(C(F)F)c1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	1116687982	FOWWANAMIKSHBO-UHFFFAOYSA-N	410.424	4.827	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cn3)CCC2)cc1	1786445079	QWDQGVNPLIKMBK-QGZVFWFLSA-N	420.340	4.890	50	20	HJGD	
COc1cc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)ccc1C	1791607134	QRGKLBSVEAFGMS-UHFFFAOYSA-N	421.324	4.555	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(F)c3s1)C2	1793681041	VLCRWRRSZGKGTP-QKPAOTATSA-N	422.953	4.700	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1	1824014871	JHDQNBYTQNGGNG-WLBKGHODSA-N	423.041	4.842	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1	1824618083	OEUYDVGRTWEARW-WOJBJXKFSA-N	409.014	4.594	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cs2)CC1	1824672416	KJPAVCFPUQFHQY-MSOLQXFVSA-N	411.011	4.697	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c(C)n1CCC(C)C	302539616	QIMUVKJAZFRQKP-VJOZSWGJSA-N	403.530	4.812	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1	725735573	CPUQDXZHUXEJKS-UHFFFAOYSA-N	405.406	4.839	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccccc2Oc2cccnc2)cc1	728318682	GDXQLMKRYZUJRY-ZHZULCJRSA-N	400.434	4.923	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)c3cc(Cl)ccc3O)s2)cc1	730557837	ROLVMELQXCWDIV-UHFFFAOYSA-N	415.902	4.519	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1nc(-c2ccccc2)oc1-c1ccccc1	731343930	XKPDJQLXQIEEEP-UHFFFAOYSA-N	422.444	4.565	50	20	HJGD	
COC(=O)c1ccc(NC(=O)CCCC[C@H]2CCSS2)c(OC(F)F)c1	732178739	UJNLMBGGOBJITR-LBPRGKRZSA-N	405.488	4.727	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)C(=O)c3ccccc3F)cs2)cc1	732577221	QVWGDKCSWIFNOR-PTNGSMBKSA-N	421.453	4.765	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3c(C)noc3C)c2C)c1	733764767	ZPVJOIOHPFQXOP-GKXUUXLPSA-N	402.498	4.792	50	20	HJGD	
C[C@@H](CC1CCCC1)C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	734013325	QWULROGFHOGOHF-JTQLQIEISA-N	407.889	4.893	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3ccc(O)c(Cl)c3)s2)cc1	734093651	OZFZYNJYYXMCCQ-UHFFFAOYSA-N	421.309	4.971	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)c1C	735458305	DLHMDJQAUGJNAY-RQNDZEIBSA-N	420.340	4.843	50	20	HJGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	742005895	KITBYEAHUFWSKP-UHFFFAOYSA-N	420.138	4.544	50	20	HJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc([N+](=O)[O-])c1	742006630	SVANIMDJWRAUII-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
O=C(NCCCCc1ccccc1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743508086	YOJRFAQJUQRDHW-UHFFFAOYSA-N	402.498	4.712	50	20	HJGD	
Cc1ccc(C)c(SCc2cccc(C(=O)NNC(=S)NC(C)(C)C)c2)c1	743822830	RHFLBIZERZSSIG-UHFFFAOYSA-N	401.601	4.503	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ncc(-c3ccccc3F)o2)c1C	744558134	DJFWELJQMPSDGU-WQRHYEAKSA-N	407.445	4.959	50	20	HJGD	
C[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccc(-c2ccncc2)cc1	746052670	QRDLYGVQKGSYOC-INIZCTEOSA-N	400.931	4.569	50	20	HJGD	
CCc1nc(C(=O)NNc2ccc(Cl)cc2Cl)nn1-c1ccccc1Cl	748018796	MGJVIQLTHMUMAI-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
CC(=NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(N2CCOC2=O)cc1	748582872	LUJGAOBLXIJFLN-UHFFFAOYSA-N	423.469	4.665	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	752812964	NYTWCEPDPUXXAX-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)C1CCN(c2nc3ccccc3o2)CC1	757421516	KDUXDUSTPJLWHD-UHFFFAOYSA-N	417.421	4.711	50	20	HJGD	
COc1cccc(NNC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)n1	760031915	KXKVLSJZRJXDOH-UHFFFAOYSA-N	403.866	4.791	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(CC(C)C)c3ccccn3)s2)cc1	760238756	BQOZARYLPVNSKI-UHFFFAOYSA-N	408.527	4.581	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H]1CN1CCOCC1	762978597	AWJABNNWQRHJSH-AWEZNQCLSA-N	415.428	4.673	50	20	HJGD	
O=C(O)Cc1ccc(C(=O)/C=C\c2ccc(OCCBr)c(Cl)c2)cc1	763114977	WNXHLLUWDZWJOS-CLTKARDFSA-N	423.690	4.637	50	20	HJGD	
Cc1ccccc1-n1nc(C(=O)NNc2c(Cl)cccc2Cl)c2c1CCC2	763623987	LEIMINRBQZHJOA-UHFFFAOYSA-N	401.297	4.733	50	20	HJGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(Br)c(C)c1	764271563	OKVFWGDVJALTHT-UHFFFAOYSA-N	410.293	4.535	50	20	HJGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)c1ccc([N+](=O)[O-])cc1Br	765612370	AQDORLCCEAGPNC-BJMVGYQFSA-N	403.623	4.723	50	20	HJGD	
COCCCOc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)c1	765614372	UQNRZMGCCVSFMV-XNTDXEJSSA-N	417.259	4.837	50	20	HJGD	
N#CC1=CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1	767159477	DZWVGKBYOHVCMN-UHFFFAOYSA-N	402.885	4.548	50	20	HJGD	
CCS[C@@H](C)c1noc(COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)n1	767262180	HROZYMBXGOGFEN-ZJTXRKTBSA-N	416.547	4.608	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)c1cccc2c1OCCO2	771528897	CHIUZEWPWPYATA-SDNWHVSQSA-N	423.831	4.534	50	20	HJGD	
O=C(CCCc1cc(Cl)sc1Cl)NNc1ccnc(Br)c1	771549265	MUPJHGSCVQPMKI-UHFFFAOYSA-N	409.136	4.678	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc4c(c3)CCC(=O)N4C)n2)cc1	773916249	WJKXRQAGAAEAKZ-PDGQHHTCSA-N	401.491	4.792	50	20	HJGD	
CCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ncc(Cl)cc2Cl)c1	775513407	IGLBXPLZWNELMB-UHFFFAOYSA-N	402.669	4.539	50	20	HJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCCO2)C(=O)c1ccc(OC(F)F)cc1	776256078	AKDXJIZUARLSCS-ZSOIEALJSA-N	405.784	4.893	50	20	HJGD	
C[C@@H](CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H](C)C1	777880755	RIYUKWOULMGPGT-OLZOCXBDSA-N	422.485	4.743	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cc(Cl)ccn3)c3cnn(C(C)C)c3n2)cc1	778451656	ORHKYSYZKKFDKR-UHFFFAOYSA-N	420.904	4.793	50	20	HJGD	
COC(=O)COc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	782189789	UVTDBKKPAUSKIW-MDWZMJQESA-N	418.396	4.931	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccnc2-c2ccc(C)s2)c1C	782944543	ADDRWMGPGAYINC-CPNJWEJPSA-N	420.538	4.729	50	20	HJGD	
Cc1csc(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1	782985197	ZAXNRZCNUSRCFI-UHFFFAOYSA-N	408.439	4.630	50	20	HJGD	
Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)NNc1ccc(F)cc1F	783339947	HLVJMAXNTSEJGN-UHFFFAOYSA-N	413.449	4.506	50	20	HJGD	
C[C@@H](Oc1ccccc1NC(=O)C(=O)NNc1ccccc1Cl)c1ccccc1	784774166	KYWFORHZPDIQMA-OAHLLOKOSA-N	409.873	4.562	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)O[C@H](c1ccccc1)c1nc(-c2ccccc2)no1	785352030	SHYLTJPUFAZRCC-CSMMYAOASA-N	407.429	4.976	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)c(OC)c1)c1ccccc1	787146326	WNRKYTPYGDDVHD-PNDHZVEESA-N	418.415	4.811	50	20	HJGD	
COc1cc(NNC(=O)c2cc3cc(Br)cc(C)c3o2)ccc1Cl	790179372	PTCAQPOOUOCGAW-UHFFFAOYSA-N	409.667	4.923	50	20	HJGD	
O=C(NN=CCc1cccc(Cl)c1)c1cc(-c2ccncc2)nc2ccccc12	794858489	LMOPENDYQPXURZ-UHFFFAOYSA-N	400.869	4.909	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1	799759372	NGLCAQNPGYFRAW-HSZRJFAPSA-N	417.509	4.668	50	20	HJGD	
CCc1cc(C(=O)NNc2ccc(Cl)c(OC)c2)c2c(CC(C)(C)C)noc2n1	800559022	OBCIQWIXDJHLJE-UHFFFAOYSA-N	416.909	4.793	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	806201508	YJXIFVQJUYMBPY-HXUWFJFHSA-N	401.426	4.707	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	864800724	DDBHNMJQKVHCMA-OBKVJGTNSA-N	412.445	4.956	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCc2cn3ccccc3n2)c(C)n1C1CCCCC1	901439224	QKAZGWLXZAVLQN-QNGOZBTKSA-N	415.541	4.524	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C2CC2)[C@H](C)c2ccccc2)c1C	914479288	BEMJROYSJCPAQH-MOOYPPFCSA-N	405.542	4.972	50	20	HJGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccc(SC2CCCC2)cc1	914691742	HLXRKIOVJWVMKO-UHFFFAOYSA-N	406.511	4.524	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2cc(Cl)ccc2OC(F)F)cc1OC	915951176	YJGXTGREUSULGZ-UHFFFAOYSA-N	412.820	4.503	50	20	HJGD	
CC(CCC(C)C)=NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	916258055	JBTQPKZXRWBNSB-UHFFFAOYSA-N	421.950	4.683	50	20	HJGD	
O=C(NN=Cc1sc(Nc2ccccc2Cl)nc1Cl)c1ccc(O)cc1	916265221	ACMCMYBSWQWMRH-UHFFFAOYSA-N	407.282	4.663	50	20	HJGD	
CCN(C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CCCC1	918423367	TXEARVPCGNAMGL-MRXNPFEDSA-N	408.873	4.636	50	20	HJGD	
N#C/C(=C\c1ccc2ccc(Br)cc2n1)c1nc(N)c2ccccc2n1	1319757687	AGEWIJZMYYZSPJ-UKTHLTGXSA-N	402.255	4.587	50	20	HJGD	
Cc1ccccc1CCC(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788587251	DEIFZYJIXZMSCM-HXUWFJFHSA-N	402.897	4.596	50	20	HJGD	
Cc1ccc(O)c(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)c1	1790247019	RXPCTOGNIUGGFO-UHFFFAOYSA-N	414.933	4.713	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cc2ccsc2[nH]1	1791605993	PDXUKCWXEVZLPS-UHFFFAOYSA-N	422.337	4.781	50	20	HJGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12	1801201776	LETYSBPAZXMSEG-QOIOWGMHSA-N	424.928	4.855	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1	1824628674	BROZHLZVSXWTIT-MRXNPFEDSA-N	420.972	4.553	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c(C)c1	7159787	NKJQOBGGNYWTPV-GIDUJCDVSA-N	413.271	4.649	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc(C2SCCS2)cc1	727174263	JSTGPFKKWLGOIF-UHFFFAOYSA-N	417.625	4.920	50	20	HJGD	
C=CC[C@@H](C)C(C)=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1	727777315	OYOZDPGNFOUDEP-QGZVFWFLSA-N	419.554	4.731	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c3ccncc3)c2C)cc1	735961358	QCHVUSLSJOMZQN-SBGXLDQMSA-N	401.466	4.709	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(Oc2cccnc2)cc1	741978879	UOSZDGOLRZXXOZ-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)N[C@@H]1CCSc2ccccc21	745289684	SDEMSAYGGDPJPU-CYBMUJFWSA-N	414.275	4.591	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	746756309	MJLAMGNAQISPON-NSHDSACASA-N	406.433	4.923	50	20	HJGD	
CCN(CCc1ccccn1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	746833771	RZYRYYQRGJXZKM-LTGZKZEYSA-N	416.500	4.626	50	20	HJGD	
CN(C(=O)c1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1)c1ccccc1	747605134	RMGONKULEAHCCE-UHFFFAOYSA-N	413.399	4.739	50	20	HJGD	
CCOc1c(Cl)cc(C(=O)NNc2ccc(Br)cc2C)cc1OC	748730050	GPRFHWKVVCWRMI-UHFFFAOYSA-N	413.699	4.575	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)CCc1ncc(-c2ccccc2)o1	753169962	SLGYMICUUUJYGQ-UHFFFAOYSA-N	414.303	4.742	50	20	HJGD	
Cc1cc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc(C)c1F	763544208	OHOBUFBBGZAPSF-UHFFFAOYSA-N	419.831	4.746	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(C(F)F)cc2)c1C	764490744	XCRMFASDZUPIQW-VYXQJKENSA-N	402.441	4.900	50	20	HJGD	
COc1cc(SC#N)ccc1OS(=O)(=O)c1c(Cl)cccc1C(F)(F)F	765720429	GQJWAXHJGHONGH-UHFFFAOYSA-N	423.821	4.708	50	20	HJGD	
Cc1cccc([C@@H](NS(=O)(=O)c2ccc(CCCCl)cc2)c2ccccn2)c1	765734211	FNRYMRWETMELRD-JOCHJYFZSA-N	414.958	4.629	50	20	HJGD	
Cc1cc(Br)cc(C(=O)NNC(=S)Nc2ccccc2C(C)C)c1	766640119	CQKUYPQSRRQMDP-UHFFFAOYSA-N	406.349	4.512	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3ccc(C(F)(F)F)cc3)s2)cc1OC	768090643	PEDXVOJUELOPPV-UHFFFAOYSA-N	423.416	4.603	50	20	HJGD	
CN(CCCn1ccnc1)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	768956771	DGVZZVWSWMJMFZ-AWEZNQCLSA-N	406.861	4.656	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(F)cc1-c1nc(C2CC2)no1	770060917	NJUJNRRETMDBJZ-UHFFFAOYSA-N	421.354	4.921	50	20	HJGD	
CSc1cc(/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)ncn1	773172901	PRCAGXLBEUHKLD-GRSHGNNSSA-N	410.506	4.569	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc2sc3ccccc3c2s1	773639234	ULOFHAWZVFYFIV-UHFFFAOYSA-N	400.456	4.799	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H](OCC2CC2)C1	778089900	YKEIKMFSCCBIRX-CYBMUJFWSA-N	421.453	4.924	50	20	HJGD	
COc1ccc(SCCCC(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1	780950100	CGJOAVMEHGKXST-UHFFFAOYSA-N	409.433	4.601	50	20	HJGD	
CCSCc1cccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1	782820591	DJXCFWORWUGSEG-UHFFFAOYSA-N	405.523	4.748	50	20	HJGD	
CCCc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)cnn1-c1ccc(F)cc1	782851096	BABBNYKFILRRIY-UHFFFAOYSA-N	423.879	4.922	50	20	HJGD	
Cc1cnc2c(c1)N(S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)CCO2	782929362	HQPZBOVVEXAOFR-UHFFFAOYSA-N	416.393	4.635	50	20	HJGD	
CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	783532772	OUGLSERUZLDOHM-UHFFFAOYSA-N	417.377	4.867	50	20	HJGD	
COc1cc(NNC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)ccc1Cl	788674160	CGDBAWKVEPWUFT-UHFFFAOYSA-N	410.286	4.669	50	20	HJGD	
O=C(NNc1ncccc1F)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	806339857	KSRMPFOYPDZONL-UHFFFAOYSA-N	416.844	4.730	50	20	HJGD	
CCN(C)C(=O)c1cccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	806774077	JMLAXMKHFFZLFK-UHFFFAOYSA-N	415.708	4.887	50	20	HJGD	
CCC[C@@]1(CO)CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	808349801	LQBMVLLHEMXSMN-CQSZACIVSA-N	409.442	4.517	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ccccc3)c(C)n2)c1C	811605816	LAGOGAOQNRNJCP-PXLXIMEGSA-N	414.509	4.667	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	813836967	XKCGAWHMALKVTI-UHFFFAOYSA-N	420.313	4.831	50	20	HJGD	
C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)CCCC[C@@H]2CCSS2)C1=O	815178009	FBEBHIWTDKEVJA-OLMNPRSZSA-N	411.564	4.745	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1cccnc1Oc1ccc(F)cc1Br	816629064	WQTSJXYIGLOMRR-UHFFFAOYSA-N	422.081	4.651	50	20	HJGD	
Cc1c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cnn1C(C)(C)C	817015387	ZULAHRFNKUJXKA-UHFFFAOYSA-N	408.346	4.741	50	20	HJGD	
CCCCNC(=O)Cc1noc(/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	904255950	XNANSMAZXOWIHX-CPNJWEJPSA-N	409.534	4.516	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2ccccc2C(F)(F)F)c(C)n1CC(C)C	912638573	SDXPLQHSRRQKNS-LICLKQGHSA-N	404.436	4.830	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2cccc(C(F)(F)F)c2)c(C)n1CC(C)C	912641738	LXCNLIDHKBCBPK-RQZCQDPDSA-N	404.436	4.830	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)c1ccc(F)c(F)c1	914517463	USPPHWVCEYJNDP-YQYFLZKSSA-N	401.457	4.551	50	20	HJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)Nc3cc(C)nn3-c3ccc(C)cc3)oc12	915856892	AWZOBCQQNVDABU-QGOAFFKASA-N	412.449	4.790	50	20	HJGD	
O=C(NCC1(c2ccccc2)CCOCC1)NN(Cc1ccccc1)c1ccccc1	916623553	YGHOTJCITOOCJN-UHFFFAOYSA-N	415.537	4.656	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1	916647917	QFYPRWGYOZXPQA-JXAWBTAJSA-N	400.482	4.707	50	20	HJGD	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CCOc2c(Cl)cccc21	919918893	XVXCCMNSQHFAFC-LBPRGKRZSA-N	421.206	4.557	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(COC(C)C)cc2)c1C	919936597	GTLUTBYCTNRVTP-YPKZHZFPSA-N	409.530	4.783	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccn(-c2ccccc2C(F)(F)F)n1	1320982069	PCPUXFLNWQNXMM-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(-n4cnnc4)c3)c2C)cc1	1339472479	FCJYNTXWSYZBST-MTJSOVHGSA-N	422.492	4.529	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2C)CC1	1832567230	YSUAOGQHVMZDMZ-FCHUYYIVSA-N	419.009	4.944	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc3c(s2)-c2ccccc2CC3)c1	10742613	PNCYJPWHGGIXII-UHFFFAOYSA-N	407.564	4.762	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(SC(F)F)cc1	21287692	ONNUDDKMZZVNNP-UHFFFAOYSA-N	407.320	4.685	50	20	HJGD	
CCOC(=O)Cc1csc(/N=C(O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)n1	21529811	WMSMYTSYFFFGEC-CAOOACKPSA-N	414.531	4.518	50	20	HJGD	
CCOC(=O)c1csc(/N=C(O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)n1	49961128	JJTPFSLUHDYQGU-PXNMLYILSA-N	400.504	4.589	50	20	HJGD	
CCc1oc2ccccc2c1C=NNC(=O)c1cc(OC)ccc1Br	728431273	OQCIWHIFLOVHIH-UHFFFAOYSA-N	401.260	4.530	50	20	HJGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	728696326	QVPCUMQWBHRVAR-NWFCWYBLSA-N	402.479	4.631	50	20	HJGD	
COc1ccc2oc([C@H](C)NC(=O)NNC(=O)c3ccc4ccccc4c3)c(C)c2c1	730272778	LXWNICUTNDWSLI-HNNXBMFYSA-N	417.465	4.608	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)N(C)c2ccccc2)ccc1OC(=O)c1cccs1	732803976	BUJGJTDPNGDQFS-GHRIWEEISA-N	418.474	4.546	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1C	733114295	ONICPDDGOUITBO-KGENOOAVSA-N	412.497	4.508	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)c1ccccc1SCc1ccco1	741575826	OLYUPEHPSZXKIN-UHFFFAOYSA-N	402.475	4.800	50	20	HJGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)Nc1ccc(-c3ccccc3)cc1)CC2	743596584	VFPSVIUGLGPQBP-QFIPXVFZSA-N	400.482	4.685	50	20	HJGD	
COc1ccccc1-c1ccc([C@H](C)NC(=O)NNC(=O)Nc2ccccc2C)cc1	743642667	USHABOAMWHFPPA-KRWDZBQOSA-N	418.497	4.768	50	20	HJGD	
O=C(/C=C/c1nc2ccccc2s1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743826090	SJSXNLATNALZLM-CCEZHUSRSA-N	414.490	4.829	50	20	HJGD	
N#CCOc1ccc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1	744713050	HWVKGTILPKTXEB-UHFFFAOYSA-N	419.868	4.585	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2nccs2)c(C)n1-c1ccc(Cl)cc1	746361731	ROUIBBKROAPATB-BOPFTXTBSA-N	410.930	4.770	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3ccc(F)cc3Br)cs2)c1	748073423	AAFJEZAMRGXWAR-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC(F)F)cc2)c1C	748436845	QSRNVAULIMEZHY-ZNBBLSJYSA-N	417.456	4.502	50	20	HJGD	
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NNc3cc(Cl)ccc3Cl)C2)c1	748510338	DNUDJUGXKKZDOR-CQSZACIVSA-N	421.328	4.689	50	20	HJGD	
CCCCN1CCC(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)CC1	749985642	NVWWQWWXDPTSIL-OQKWZONESA-N	410.606	4.898	50	20	HJGD	
CCC(=O)N1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752974091	QGMQEIYGJYFMTI-UHFFFAOYSA-N	401.401	4.820	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)NCc1coc(-c2cccs2)n1	753100584	SCWBJOVSFKEVAN-UHFFFAOYSA-N	421.320	4.554	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)Nc1cccc(SC(F)F)c1	756333236	LETRGSABDBDPQC-UHFFFAOYSA-N	401.438	4.550	50	20	HJGD	
COc1cc(F)cc(NNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1	759328055	IOURYGSVVZWWNE-UHFFFAOYSA-N	424.259	4.872	50	20	HJGD	
O=C(NCC[C@H](O)c1ccccc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762663091	BROQMJWQVAVVCZ-HNNXBMFYSA-N	424.391	4.522	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	770032126	JWVNOQPDZQWQNC-MUUNZHRXSA-N	413.930	4.938	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc3ccc(Br)cc3n2)c1	771520553	MVVONRRQXMISEM-ZROIWOOFSA-N	408.255	4.552	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c(OC)c1	773171509	MZGNIJAMVQLKPX-VZUCSPMQSA-N	408.198	4.534	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1Oc1ccccc1	773762109	KERSAZHHRFGBIA-UHFFFAOYSA-N	415.371	4.580	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NNc1ncc(Cl)cc1Cl	775265364	NKFOAPUENSCPSF-UHFFFAOYSA-N	424.719	4.660	50	20	HJGD	
CC(C)(C)c1cc(NC(=O)NNc2cccc(C(F)(F)F)c2)n(-c2ccccn2)n1	775762445	QZAGYWUFBFJUOT-UHFFFAOYSA-N	418.423	4.732	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OC2CCC3(CC2)OCCO3)c(C)n1C1CCCCC1	776554032	YFQWYTKGLZWZHF-HKWRFOASSA-N	412.530	4.746	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)Nc1ccc(-c2ncco2)cc1	777608154	DHUSAWRFZMDYHU-UHFFFAOYSA-N	407.655	4.906	50	20	HJGD	
COc1ccccc1OCc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)o1	779218199	WCVKZDIQKNLMPT-UHFFFAOYSA-N	422.359	4.523	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cn(C)nc2-c2ccccc2)c1C	782480827	YOHSRKJBCIPBGN-HMAPJEAMSA-N	415.541	4.529	50	20	HJGD	
O=C(Nc1ccccc1OC1CCCC1)C(=O)NN(c1ccccc1)c1ccccc1	782821508	LQNIVAUHJSFWII-UHFFFAOYSA-N	415.493	4.816	50	20	HJGD	
O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(S(F)(F)(F)(F)F)cc1	782988407	SLFYYDPRLJRBJI-MJBXVCDLSA-N	419.437	4.580	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(COCc2ccccc2)cc1	785254438	OVEJQQCVHJPDBS-UCQKPKSFSA-N	400.453	4.766	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)cc2Cl)cc1	787153574	FOFNCYPPXSBZLD-AAWHYMEISA-N	405.281	4.795	50	20	HJGD	
COc1cccc([C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)c2ccccc2Cl)c1	787386579	DRWGILNSKHUFTJ-ZLKNRPIFSA-N	418.880	4.867	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1C	790153032	XGMUDOFIVAQUHN-PXLXIMEGSA-N	421.516	4.683	50	20	HJGD	
Cn1c(-c2ccccc2)c(C(=O)/C(C#N)=C\c2cn(C(C)(C)C)nn2)c2ccccc21	790216879	WCICKBPJTJDPEN-JXAWBTAJSA-N	409.493	4.982	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ncc(-c3cccs3)[nH]2)c1C	792327324	VOCDXUABHXSJIE-WQRHYEAKSA-N	407.543	4.580	50	20	HJGD	
Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)[C@H]2CCCOC2)c1	794880433	UESBDEVXVKBZJR-MQXJPVLKSA-N	411.505	4.810	50	20	HJGD	
CSc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	798733619	VFKUEFLVHVFONJ-KIQHUTKXSA-N	423.582	4.790	50	20	HJGD	
Cc1sc(Br)c(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c1C	799329671	JLQAQTLOJHUSGA-UHFFFAOYSA-N	422.131	4.509	50	20	HJGD	
COc1ccc([C@H](C)NCCP(=O)(c2ccccc2)c2ccccc2)c(C)c1OC	805832250	SXKCEVCDTTUQLV-FQEVSTJZSA-N	423.493	4.677	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	812764647	AMWYTLCNRSSIFA-WCCCRJGXSA-N	420.557	4.766	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)Nc1sc2c(c1C#N)CCC2	853000351	KQEBDJGIBUVBKY-OLZOCXBDSA-N	424.613	4.693	50	20	HJGD	
Cc1cccc2sc(C(=O)NNC(=O)CCSc3ccc(F)cc3)c(Cl)c12	871537559	XWVINHACQQQAFS-UHFFFAOYSA-N	422.934	4.946	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(CN3CCCC3=O)c2)c1C	914611579	WVAQJFDUXUGPHD-JCMHNJIXSA-N	418.541	4.573	50	20	HJGD	
Cc1cc(C(N)=O)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	915178953	BCOVBLCMPUAMQZ-DEDYPNTBSA-N	404.514	4.563	50	20	HJGD	
O=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc(COc2ccc(Cl)cc2)cc1	916306867	FBGPKBPVFQDQMA-UHFFFAOYSA-N	409.829	4.591	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cncc2ccccc12	917631869	WYBIQOHWQFGOMQ-UHFFFAOYSA-N	418.456	4.525	50	20	HJGD	
COc1cc(Cl)c(Br)cc1C(=O)NNc1c(F)cccc1Cl	1116779847	SGCHHCQDWOWVKP-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)oc1C	1124005623	ARJYYTPDGSOLMN-VCHYOVAHSA-N	408.889	4.576	50	20	HJGD	
C[C@@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NCC(F)(F)F	1321136476	QPSPIOCUFGBYEJ-SSDOTTSWSA-N	415.306	4.533	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1nc(-c2ccccc2)oc1C1CC1	1321482282	MNJPERRXVVNSSP-UHFFFAOYSA-N	420.538	4.974	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1	1822017437	VWKAWIZWMBJVFW-NLEPDTAZSA-N	420.985	4.636	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C)c2)CC1	1824866888	PGIPPEMLCGFYDK-YADHBBJMSA-N	419.009	4.565	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(C)cc2)CC1	1830314158	WMWKNGDSQPRMFK-NYVOZVTQSA-N	419.009	4.736	50	20	HJGD	
Cc1cccc(-n2ccnc2SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)c1	212958897	QKPRUAMOGJZRHW-SILNSSARSA-N	404.520	4.795	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccccc2O)c(C)n1-c1ccc(F)cc1	725887001	ZXWXXWCWTNUDCH-MOSHPQCFSA-N	403.457	4.504	50	20	HJGD	
O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NNc1ccnc2cc(Cl)ccc12	729514859	OANHDCUABVOONE-UHFFFAOYSA-N	420.687	4.529	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@@H](Sc1ccccc1F)c1ccccc1	730290422	KIPFMAMCFHFXGE-QFIPXVFZSA-N	403.482	4.773	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c(C)n1CC(C)C	732163486	YPMBSWWJSWWQQW-CAOOACKPSA-N	409.921	4.514	50	20	HJGD	
CN1CCC[C@@H](CN(C)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	735864746	VHATYQJTIDRASJ-IUODEOHRSA-N	409.905	4.711	50	20	HJGD	
Cc1oc(-c2ccsc2)nc1CC(=O)Oc1ccc([N+](=O)[O-])cc1Br	739314488	NIDIMRYWZYJUOE-UHFFFAOYSA-N	423.244	4.530	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@H]1Cc2cc(F)ccc2O1	740648604	UOMLLKRMCDRXTP-CZUORRHYSA-N	405.800	4.987	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](c2ccccn2)C(F)(F)F)c(C)n1CC(C)C	747354977	WUDNYPUBYPRFLZ-WSDUQJHMSA-N	405.420	4.910	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)ccc1O[C@@H](C)C(=O)N(C)C	747440735	UEEWFPBQFDLCEV-HAKPAVFJSA-N	413.543	4.585	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)c(Cl)c1	748704676	NCKROFBMUSXKHW-UHFFFAOYSA-N	423.616	4.801	50	20	HJGD	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NNc3cccc4cnccc34)c12	748763977	PTUDUVRQBBEYBJ-UHFFFAOYSA-N	415.497	4.994	50	20	HJGD	
Cc1cnc([C@@H](C)NC(=O)NNc2ccc(Br)cc2C(F)(F)F)s1	750663206	OFCDCKFCZFMKBS-MRVPVSSYSA-N	423.258	4.620	50	20	HJGD	
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752978026	RPJWHRPEPFAKTJ-NEPJUHHUSA-N	422.441	4.821	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1ccccc1-c1ncc(-c2ccccc2F)o1	754479469	AFDQFOPAHNGROP-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	755361150	HNIKKACDUIJULZ-UHFFFAOYSA-N	412.453	4.979	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)Nc1ccccc1Cl	755572585	NKGGRONKSSZEAC-XFFZJAGNSA-N	418.671	4.773	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	758715411	QYDQEAWQKNTUSS-PBHICJAKSA-N	415.362	4.530	50	20	HJGD	
O=C(NN=Cc1cc(F)ccc1Br)c1ccc(COc2ccccc2)o1	761251940	GISIEOYJJHBKDB-UHFFFAOYSA-N	417.234	4.524	50	20	HJGD	
N#C/C(=C/c1cncc(Br)c1)C(=O)Nc1ccc(SC(F)F)cc1	767340787	GTVFEJFLXYURNP-WZUFQYTHSA-N	410.243	4.704	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	768499346	CXAYPXAXBRAKEH-UHFFFAOYSA-N	414.252	4.814	50	20	HJGD	
Cc1cccn2cc(COc3ccc(C(=O)NNc4c(F)cccc4Cl)cc3)nc12	770194438	PJFQIEYGDJEREI-UHFFFAOYSA-N	424.863	4.771	50	20	HJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	771595900	RHGDOLKIYHNBIC-UHFFFAOYSA-N	401.419	4.618	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc1	771715892	KKBKGDQVTFYTIV-NNDDWHDWSA-N	419.308	4.537	50	20	HJGD	
O=C(NN=c1cc[nH]cc1Cl)c1c(F)cccc1Sc1ccc(Cl)cc1	772561141	OPGHQDPXJAXYPP-UHFFFAOYSA-N	408.285	4.858	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(N(C)C)cc1	773629902	UEKMEWXIHSOVON-QGZVFWFLSA-N	417.513	4.517	50	20	HJGD	
Cn1c(C(=O)NNc2ncc(Cl)cc2Cl)cc2cc(C(F)(F)F)ccc21	775269301	GOJTYRKVGJXPKA-UHFFFAOYSA-N	403.191	4.656	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)cc1OCCCC#N	776259468	KBJIHRHFMNGHOU-ATVHPVEESA-N	412.392	4.769	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2OC(C)C)c1C	779458517	IPGKLHVSGQGNRU-MWJIIQFGSA-N	413.493	4.784	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1	781043041	ZGACPVSVDZSTHH-MRXNPFEDSA-N	412.509	4.510	50	20	HJGD	
O=S(=O)(N[C@H](CCO)C1CCCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	782982623	YBMFOODYQAFLFI-OAHLLOKOSA-N	423.469	4.954	50	20	HJGD	
CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)CC2	788019228	JRJLBSGMSCRCHD-VXKWHMMOSA-N	419.682	4.960	50	20	HJGD	
COc1cc(NNC(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)ccc1Cl	788659141	YXLQMUGQGDMRHK-UHFFFAOYSA-N	410.852	4.766	50	20	HJGD	
O=C(O)c1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1O	788753640	NKNOPLVHBMJSMF-UHFFFAOYSA-N	419.349	4.549	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccnc(Oc2ccc(F)cc2F)c1	790028414	BAJQFQQNXVAAJB-UHFFFAOYSA-N	411.195	4.611	50	20	HJGD	
CSSCCNC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1	793079634	TVFGXUGYSANBOZ-CQSZACIVSA-N	406.598	4.606	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	794692319	VVVAEYKFEOWLSH-GXDHUFHOSA-N	412.280	4.737	50	20	HJGD	
COCC[C@@H]1CCCC1=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	799866713	PYWAMPMEVLVFST-KRWDZBQOSA-N	422.554	4.778	50	20	HJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1ccc(Br)cc1Cl	806787544	JMUFLXZIRRYCSR-LBPRGKRZSA-N	418.722	4.973	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	806864840	UCKWACGQUZQRDV-NUEKZKHPSA-N	419.451	4.607	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1	812244830	IYQLJXBMEPQONC-USYSOWRXSA-N	417.265	4.926	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccc(Cl)n2)cc1	817009966	GEPBZWAIBIPKAD-UHFFFAOYSA-N	417.900	4.712	50	20	HJGD	
CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	819475142	HFSUFZUIVYPTQN-KBXCAEBGSA-N	406.368	4.572	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2N(C)C)c1C	915868132	TYILFJYHNANFJP-LZNAANCOSA-N	414.937	4.577	50	20	HJGD	
CC(C)(C)n1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)cn1	915983850	BTQLVWILRWKUBQ-ZSOIEALJSA-N	411.918	4.961	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccco2)c2ccccn2)c(C)n1CC(C)C	916051919	OELCLPHAFORPBW-FYJGNVAPSA-N	402.498	4.889	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNC(=O)c1ccc(Cl)cc1	916254065	GPHLAMTYWFHXGE-UHFFFAOYSA-N	421.715	4.964	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1	916605669	IPRBMWSJPKFFIR-SQVRNEIYSA-N	420.509	4.995	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)Cc2cccc3ccccc23)oc2ccccc12	918081727	FELCAMHXAWTRTN-MRXNPFEDSA-N	401.466	4.529	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)NCC2CCCCCCC2)c(-c2ccccc2)n1	918665820	JLDCJCMIJDGUIE-CJLVFECKSA-N	415.541	4.847	50	20	HJGD	
COc1ccc(C)cc1C1(CNC(=O)CCCC[C@@H]2CCSS2)CCOCC1	919893154	LUJMVZFXCYIYMW-GOSISDBHSA-N	423.644	4.882	50	20	HJGD	
O=C(NCCc1ccc(O)cc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	921061464	VVGNXKTWDMLMAW-OAHLLOKOSA-N	404.841	4.976	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccnn2Cc2ccsc2)c(C)n1CC(C)C	1317724399	SAVBGHBZNXQHPE-KEBDBYFISA-N	407.543	4.613	50	20	HJGD	
O=C(CC1c2ccccc2Oc2ccccc21)NNc1ccc(Br)nc1	1321760734	BCFMHGRNRJHGRC-UHFFFAOYSA-N	410.271	4.615	50	20	HJGD	
Cc1cccn2cc(COc3ccc(C=NNC(=O)c4ccccc4Cl)cc3)nc12	1337982630	PFYWGBPOSZFJKC-UHFFFAOYSA-N	418.884	4.639	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]ccc4n3)cc2)CCC1	1789269121	GKOSFCOQNYMXTI-KRWDZBQOSA-N	424.932	4.718	50	20	HJGD	
Cc1ccc([C@@H](C)C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)cc1	1791345882	XQJFJVCFOXVPIW-DNVCBOLYSA-N	402.897	4.767	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2Cl)CC1	1829858348	JPWZAURYVIWYGJ-DLBZAZTESA-N	415.361	4.574	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)c1C	10405858	DHQJOYDPZKUITC-IREQLNLFSA-N	401.894	4.520	50	20	HJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OCC	13350404	FVSXGXYZYFLZFC-QGOAFFKASA-N	408.454	4.508	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)c3ccc(F)cc3)c2)cc1	18918160	KKVJZWORKHNZQU-CPNJWEJPSA-N	400.409	4.876	50	20	HJGD	
C=CCOc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1OC	27568728	FBTZFULQJVTAKB-UHFFFAOYSA-N	401.677	4.977	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C(/C#N)C(=O)NC1CCCC1	206897446	MNPQFWIEFBRQKJ-GDNBJRDFSA-N	403.313	4.512	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@H](C)Sc2ccccc2Cl)cc1	727494324	GZFRYZZBDOFGPK-ZDUSSCGKSA-N	423.991	4.626	50	20	HJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)cc1OC	730435798	CJSKMUBMFXTCST-UKTHLTGXSA-N	404.285	4.874	50	20	HJGD	
Cc1sc(=O)n(CCC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1C	734317404	UZXNXVZBIOKNLZ-CQSZACIVSA-N	424.897	4.775	50	20	HJGD	
CC[C@H](C)c1ccc(-c2cc(C(=O)NNC(=O)NC(C)C)c3ccccc3n2)cc1	745146363	OZOAFAFNPKFGBP-INIZCTEOSA-N	404.514	4.768	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)c1C	747663639	HDZRYEXLWZISDA-LPYMAVHISA-N	420.557	4.755	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cn(Cc2ccccc2)nc1-c1cccnc1	748584880	CGYFGFMHVPFESP-UHFFFAOYSA-N	423.520	4.629	50	20	HJGD	
COC(=O)c1cc2c(/C=C(/C#N)c3nc(-c4ccncc4)cs3)ccc(OC)c2o1	748998778	SNPHPWQBHFSKMB-DHDCSXOGSA-N	417.446	4.811	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	750150635	VGNMXBPUSDTISI-UHFFFAOYSA-N	402.926	4.510	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)c(C)c1	752518640	GZNDFWIKSADTKZ-UHFFFAOYSA-N	418.566	4.977	50	20	HJGD	
COc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)cc(Cl)c1OCC(C)C	755857979	CKBOLKPNFPYFIN-UHFFFAOYSA-N	423.844	4.616	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	768243752	XBBJSMBPXJEEBN-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1ccc2nc(C(F)F)[nH]c2c1	771174548	ADQHQKUDFREQFJ-UHFFFAOYSA-N	414.185	4.551	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2OC(F)F)c1	776725513	MNKSYGNJVHBBPU-XYOKQWHBSA-N	423.213	4.605	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1	777768065	FOGOOCPBDDJEGU-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
C[C@@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(C)(C)CN(C)C	777999342	MELDYVJRULSNLD-LLVKDONJSA-N	410.474	4.599	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1cccnc1Oc1ccc(Cl)cc1Cl	778449768	YQJJAOIPMYNVER-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
CC(C)(C)c1nsc(Oc2ccc(NC(=O)NNc3ccccn3)cc2Cl)n1	782103667	OHPBOGYQULMALB-UHFFFAOYSA-N	418.910	4.825	50	20	HJGD	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NNc1ccc(C(C)(C)C)cc1	782779689	VOQKHPZUWJZVKZ-UHFFFAOYSA-N	404.536	4.853	50	20	HJGD	
C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782911567	WSWMFZGVWLNYOP-LBPRGKRZSA-N	417.421	4.920	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	787395375	UWGPWQMLXRIOBD-VUODPORTSA-N	407.470	4.524	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1	787572626	PVLPRDBHSVHUEO-YGYUYSJASA-N	416.456	4.582	50	20	HJGD	
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)NNc1ccc(Cl)c(OC)c1	788683963	YPRIQACNVFHVSJ-NSHDSACASA-N	414.289	4.564	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NN=c1cc[nH]c2ccccc12	798110024	YBULRZNRRMABQV-UHFFFAOYSA-N	413.264	4.684	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNc3c(F)cc(F)cc3Br)cc2)cs1	799341829	CGDKTXPBFIAMBW-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CCSc2ccccc21)Nc1ccc(-c2ccccc2)cc1	802037648	ORHPOOCTTMYEQV-HXUWFJFHSA-N	403.507	4.786	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CSc2nnnn2C[C@H]2CCCO2)cc1	806586217	LOHJXDBKEZDXPP-GOSISDBHSA-N	420.655	4.666	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(F)cc1Br	807118608	MGXJLSDTAUEYCV-UHFFFAOYSA-N	419.250	4.531	50	20	HJGD	
N#C/C(=C/c1ccc(Br)c(Br)c1)c1ccc([N+](=O)[O-])cn1	812245506	SLTCKJVIRGYUJW-YHYXMXQVSA-N	409.037	4.579	50	20	HJGD	
COc1ccc(OCC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cc1	878640394	DPBKTUSHVOOXNS-MRXNPFEDSA-N	405.825	4.932	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1cc2ccccc2c2cccnc12	915836199	GIWCJWFKKBYFDO-UHFFFAOYSA-N	405.457	4.545	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1	915847118	JIYYJMQDVINNGV-NBVRZTHBSA-N	416.433	4.678	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)c1C	915869092	RHPCSOAHMGWNNU-SYERDGIWSA-N	409.530	4.625	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	918713726	RCOXBHUJHRVXFI-QPEQYQDCSA-N	413.264	4.938	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNC(=S)Nc3cc(C)ccc3C)o2)c(C)c1	920210998	YGLYGZOZFPMOCN-UHFFFAOYSA-N	423.538	4.724	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCC(F)(F)F)CCC2)cc1	1786444245	RGWNVZQCKQDMCO-OAHLLOKOSA-N	404.860	4.871	50	20	HJGD	
C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)c1	1788588408	PCHWWQBSHZNPHQ-IFXJQAMLSA-N	413.880	4.596	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)/C=C/C3CCCCC3)CC2)C1	1806163400	SAOKEEJKKKBLLZ-CTDFXDFQSA-N	409.014	4.762	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C)CCCCC2)[nH]n1	1815324660	TZUFWODEZDNJGY-DOTOQJQBSA-N	408.974	4.780	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	1831475983	RHMXJDWZCSODIX-HZEGPAAWSA-N	423.041	4.697	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1C	215535944	WJFJKQRGVNMHFQ-JPFXZVHCSA-N	407.514	4.618	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F	727842832	HBYAOAWTYGSYPO-VIFPVBQESA-N	420.218	4.717	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)Nc1c(C)nn(-c2ccccc2)c1C	728593138	OZNRXJOPZVLPGD-UHFFFAOYSA-N	414.307	4.709	50	20	HJGD	
O=C(NN=Cc1csc(Br)c1)c1ccc(Br)cc1Cl	728782429	MWRZHHWMNOOZIN-UHFFFAOYSA-N	422.529	4.690	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccccc1	731930854	PAUJZQXVXQHSSQ-FQEVSTJZSA-N	421.497	4.523	50	20	HJGD	
COc1ccc(CCC(=O)NNc2ccc(Br)cc2Cl)cc1Cl	733805146	DNPJGQVPVOQJOO-UHFFFAOYSA-N	418.118	4.840	50	20	HJGD	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNc2ncccc2Cl)cc1	734246240	GZPOJFCXVFSJCF-UHFFFAOYSA-N	420.900	4.968	50	20	HJGD	
Cc1c(-c2ccccc2)oc2c(C(=O)NNc3cc(F)c(F)cc3F)cccc2c1=O	734553715	YXQHQPFDFMGPLR-UHFFFAOYSA-N	424.378	4.943	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cnc4ccc(Br)cn34)c[nH]c2c1	740765014	NMJFCNZKMKGOIG-NTUHNPAUSA-N	405.255	4.676	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@](C)(O)c2ccsc2)c(C)n1C1CCCCC1	740937994	JRVPQLDKLGPNDO-MKXOMJGDSA-N	411.571	4.603	50	20	HJGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2ccc(-c3ccccc3OC)cc2)cc1	741454940	HJNUXVQPJJOAHD-GOSISDBHSA-N	418.493	4.679	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	743456461	XGLPPJJDFFWUTH-UHFFFAOYSA-N	410.355	4.578	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	746750986	FCCZJOKVNRYDMV-RNFRBKRXSA-N	423.279	4.640	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(COc3ccccc3)cc2)cc1C(F)(F)F	746889250	MDEOTYAKQUTHJE-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cccc3cccnc23)cc(C)c1OCc1ccccn1	747356441	QQQGYXHRWOPABR-UHFFFAOYSA-N	410.477	4.590	50	20	HJGD	
Cn1c(C(=O)NNc2ccccc2Br)cc2cc(C(F)(F)F)ccc21	748070294	LKAZGZSOSADCIK-UHFFFAOYSA-N	412.209	4.717	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1ccc(COc2cccc(Br)c2)o1	748099332	ZUPZUHMTJVLOCI-UHFFFAOYSA-N	405.223	4.517	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3nc(CC)no3)ccc2C)c1C	750857752	UTZDRKLKZRHXHM-NDENLUEZSA-N	417.513	4.981	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	760295053	GNPLEIPSAVKIGD-UHFFFAOYSA-N	413.827	4.570	50	20	HJGD	
CSc1cc(C(=O)NNC(=S)Nc2cccc(C)c2)c(Cl)cc1Cl	760803459	FCTSQXWEXNVJRY-UHFFFAOYSA-N	400.356	4.655	50	20	HJGD	
COc1ccccc1-c1cc(C(=O)NN=Cc2c(Cl)ccc(Cl)c2Cl)n[nH]1	764797522	ZDBQSEOYSMLNTA-UHFFFAOYSA-N	423.687	4.809	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(Br)cc3[N+](=O)[O-])n2)cc1	767717779	NRXNKJHQEBVQLE-ZSOIEALJSA-N	411.215	4.780	50	20	HJGD	
CCc1c(C(=O)NNc2c(Cl)cc(F)cc2Cl)cnn1Cc1ccccc1	768010007	ZJTCGTKICGXZGJ-UHFFFAOYSA-N	407.276	4.697	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	769952488	VIRZPMSXRXDESI-UHFFFAOYSA-N	410.396	4.718	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccc(Br)c(Cl)c1F	769982982	CWAQNOLJBZYPIS-UHFFFAOYSA-N	400.660	4.608	50	20	HJGD	
CN1CCC2(CCN(C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)CC2)C1=O	770741470	XHCJPRJSLRXJOA-UHFFFAOYSA-N	413.412	4.820	50	20	HJGD	
CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)NNc1cccc(Cl)c1	775664457	YEDDPVRZRUNHBB-UHFFFAOYSA-N	416.909	4.513	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNc1cc(Cl)ccn1	778519727	XCOFUIYLSYUKHL-UHFFFAOYSA-N	402.885	4.944	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1sc2cccc(F)c2c1COc1ccccc1	781359203	JDIAFIAZJNKRJT-UHFFFAOYSA-N	411.433	4.910	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)C(=O)c1cccc(C(F)(F)F)c1	782368575	HOKFJRWZTPGRAA-QPEQYQDCSA-N	412.289	4.996	50	20	HJGD	
CC(C)C[C@H]1COCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782984110	XVQCYZPBTBYGKQ-LBPRGKRZSA-N	409.442	4.780	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)/C(C#N)=C\c3ccc(O)cc3)s2)cc1	787336316	DRKAHGSQOISVIW-CCRNYGKSSA-N	403.507	4.917	50	20	HJGD	
Cc1c([C@H](C)NC(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2ccccc12	790651072	NWCPBMMIOQZKPU-NSHDSACASA-N	406.269	4.753	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)C2CCOCC2)cc1	794959239	SDUXHWHMQZPUJD-HZHRSRAPSA-N	411.505	4.810	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1	812244518	DCRDWPHLGMRIQU-QGOAFFKASA-N	423.432	4.915	50	20	HJGD	
CSCc1cnc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)s1	814688357	UNTJMBKNXSDWCK-UHFFFAOYSA-N	418.371	4.622	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(F)cc2F)ccc1OCc1ccc(Cl)cc1	876988556	GOMJIYZCPRZHBE-UHFFFAOYSA-N	418.827	4.963	50	20	HJGD	
Cn1cc(C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)c2ccccc21	912806683	XZTBKGJPXWQAQK-UHFFFAOYSA-N	404.451	4.579	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C2CCC(C)CC2)C2CC2)c(C)n1C[C@@H]1CCCO1	914487421	JQRLWWAQODSFTO-GJWWQTACSA-N	409.574	4.761	50	20	HJGD	
CCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	914504566	JXDYICIZQCEFED-BJYRUZDYSA-N	405.542	4.548	50	20	HJGD	
Cc1c([C@H](C)NC(=O)NNC(=O)CSc2ccc(Cl)cc2)oc2ccccc12	918085137	RYCSYDDWSQSXIZ-ZDUSSCGKSA-N	417.918	4.578	50	20	HJGD	
Cc1noc(C)c1CNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	920279282	OZUALUKIGWQQGY-NVMNQCDNSA-N	408.889	4.576	50	20	HJGD	
Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)c1	1788582345	JRZMSURNPIANLS-FQEVSTJZSA-N	402.897	4.596	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccn(C(C)C)n3)cc2)CCC1	1790164195	CESJJOKEWLQPCN-SFHVURJKSA-N	416.953	4.619	50	20	HJGD	
CCCCC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](Cl)COC)CCC2)cc1	1791314401	QCFJLUAWUYAJKJ-VQIMIIECSA-N	408.970	4.591	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1	1814697381	CRAVMUKXDXBLMW-MRXNPFEDSA-N	423.344	4.634	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2C)CC1	1823922428	BBAXICHCPKLZAU-PZJWPPBQSA-N	422.972	4.775	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1824137628	LMZJLGKIGJFNGM-FQEVSTJZSA-N	409.014	4.640	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(F)c2)CC1	1824615623	OSGNMZUBTRFSAY-NHCUHLMSSA-N	422.972	4.775	50	20	HJGD	
Cc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1825780877	FVIHAMDUDNMVFE-QGZVFWFLSA-N	411.011	4.555	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cccc3c1oc1ccccc13)C2	1841670272	PMRWBMGLJPDBIC-LJQANCHMSA-N	424.928	4.811	50	20	HJGD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)CCCCCCCCCCCl)C2)on1	1845124486	VHIYPMDMSGGRFG-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1ccccc1C(F)(F)F	728176085	NILDZLYEFZVPAF-NTEUORMPSA-N	400.335	4.576	50	20	HJGD	
N#C/C(C(=O)CSc1nnc(-c2ccccc2)s1)=C1/Nc2ccccc2S1	729940852	WCUSEBWGNOEBER-QGOAFFKASA-N	408.533	4.819	50	20	HJGD	
CC(C)(C)C[C@@H](NC(=O)NNC(=O)NCc1ccc(Cl)cc1)c1ccccc1	733037180	QYCXSWCBJHMESB-GOSISDBHSA-N	402.926	4.531	50	20	HJGD	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NNc3ccc(F)c(F)c3F)ccc21	734548682	LEADCMMSYNOLRS-UHFFFAOYSA-N	416.325	4.810	50	20	HJGD	
CCc1cc(NNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)nc(-c2ccccn2)n1	738531047	SKWGRSGLOZXLMQ-RTWAWAEBSA-N	409.493	4.501	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc4c(c3)NC(=O)CC4)c2C)cc1	741722541	WLADMPNREDOTSD-FYJGNVAPSA-N	424.504	4.833	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)C(C)(C)C)c1C	741937872	QHVZAFUBQRAESL-SFQUDFHCSA-N	413.543	4.587	50	20	HJGD	
CCC[C@H](CC)NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12	744886611	BPNUVRBVEZEHJX-SFHVURJKSA-N	404.514	4.733	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(C)C)c(O)cc2C)c1C	748130256	UYWNBOIMTRVSKN-YEWRBRKMSA-N	409.530	4.995	50	20	HJGD	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748696037	WTIYTQHMBIBHOO-NSHDSACASA-N	422.325	4.557	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cnn1-c1ccccc1	748704149	WRLIVBMMUMHCHI-UHFFFAOYSA-N	418.419	4.694	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(OC)c(O[C@@H](C)CC)c2)c1C	749450847	FCPRJBSPWWIDHQ-DZBQEORWSA-N	424.497	4.784	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(Oc2ccccc2)cc1)c1cc2ccccc2o1	749832351	IWSITCHZYFAHJF-UHFFFAOYSA-N	403.463	4.857	50	20	HJGD	
CC(C)C[C@H](C)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	752231635	WPRFVYAPLNGHOR-JIHKLPAASA-N	409.921	4.575	50	20	HJGD	
COc1ccccc1/C=C(/C(=O)NNc1ccc(C#N)c(Cl)c1)c1ccccc1	753301715	AOKAMJCIRQRMKX-DEDYPNTBSA-N	403.869	4.904	50	20	HJGD	
COc1cc(NC2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)cc(OC)c1	754418510	UQNHFGPDKKMBSN-FQEVSTJZSA-N	424.632	4.821	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1ccc(OC2CCCC2)c(Cl)c1	756204053	HWPFBDDYDNRWPE-UHFFFAOYSA-N	412.877	4.609	50	20	HJGD	
COC(=O)c1ccc(NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)nc1	759737853	CANVLEPVARYGNS-UHFFFAOYSA-N	422.293	4.660	50	20	HJGD	
O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)NNc1ccccc1Cl	761779594	HERMUUUDNOVYOQ-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)c1C	766554416	KZBMZAINIYNAPG-LPHOPBHVSA-N	405.608	4.777	50	20	HJGD	
Cc1ccc(Nc2cccc(C(=O)NNc3c(Cl)cc(F)cc3Cl)c2)nn1	768009180	KVXIYZOVRVFJND-UHFFFAOYSA-N	406.248	4.731	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3nccn3C)C2)c(C)n1C1CCCCC1	768138004	FAYDCWFLAXPCBX-QCBCRBAMSA-N	419.573	4.657	50	20	HJGD	
COCCOc1c(Cl)cccc1NC(=O)NNc1ccccc1C(F)(F)F	769983681	OYYVGOQTBMZQJF-UHFFFAOYSA-N	403.788	4.533	50	20	HJGD	
Cc1cc(NNC(=O)C2(C)CCN(Cc3ccccc3)CC2)ccc1Br	776147752	NOMNKPFMHXXRSD-UHFFFAOYSA-N	416.363	4.503	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cc([N+](=O)[O-])ccc1SC1CCCC1	777461839	ZCRMBUXDSUYNQX-UHFFFAOYSA-N	408.483	4.935	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(/C#N)c3nc(-c4ccccc4)no3)cnc12	783701888	OGBSCLLPWNYHCI-ZSOIEALJSA-N	406.243	4.519	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1Cl	787146131	VROGYYZDWFRLHW-DWKHYPNZSA-N	415.324	4.773	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccccc2SC)c1C	791901128	XTFYBVCWPLNXQG-CTPANLQCSA-N	411.571	4.600	50	20	HJGD	
COc1cc(/C(C#N)=C/c2cnn(-c3ccc(C(F)(F)F)cc3)c2)ccc1[N+](=O)[O-]	794700456	FZQCULYVTFHPTL-OVCLIPMQSA-N	414.343	4.872	50	20	HJGD	
C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	796115783	QZVWXSIGRJEPKU-OLZOCXBDSA-N	420.469	4.591	50	20	HJGD	
Cc1ccc(-c2ccc(C)c(NC(=O)NNC(=O)c3cccc4ncccc34)c2)o1	797655826	WZMLWCRROXFHKE-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
COc1cc(C(=O)NN=C/C(C)=C/c2ccccc2C(F)(F)F)cc(OC)c1OC	799866557	KVKKMQXCLRTBQX-BYQOZTTDSA-N	422.403	4.550	50	20	HJGD	
CSc1ccc(C)c(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1	804207653	LWXPWBGCNAQBNR-UHFFFAOYSA-N	418.444	4.950	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1Cl)[C@H]1OCCc2sccc21	815855997	QNOWMSLDKUDCTJ-BJOHPYRUSA-N	415.740	4.557	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3ccccc3)C2)c(C)n1C[C@@H]1CCCO1	817105666	BEEQMOSSLSDZIL-XXEGFWRTSA-N	417.553	4.597	50	20	HJGD	
O=C(CCc1cccc(Br)c1)NNc1ccnc2cc(Cl)ccc12	913188328	OHMLQLVQQFMKBJ-UHFFFAOYSA-N	404.695	4.727	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(Br)s2)c1C	914512822	QIYWLEMIDINNAK-OQLLNIDSSA-N	406.349	4.562	50	20	HJGD	
O=C(NN=Cc1cccc(OCc2ccccn2)c1)c1cc2c(s1)CCCCC2	915956471	UGOTUYZYYKJLQI-UHFFFAOYSA-N	405.523	4.755	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)c3ccsc3)cc2)cc1	915989528	JKSRUWWUAUGXMT-NDENLUEZSA-N	403.459	4.904	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	916238026	URPXLHRQFCUMPZ-OAHLLOKOSA-N	400.693	4.742	50	20	HJGD	
C[C@@H](NC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1OC(F)F	918206325	BUSQNPNAYLQBEQ-MRVPVSSYSA-N	424.757	4.743	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNC(=O)c1c[nH]c3ccccc13)oc1ccccc12	920929624	UIIUDPIGBVEGNP-UHFFFAOYSA-N	414.421	4.542	50	20	HJGD	
O=C(/C=C/c1ccc(F)cc1F)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788582392	KOBXUFUVOMCLGI-VZJZHNIPSA-N	422.834	4.647	50	20	HJGD	
CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCBr	1804522075	ICKOQHOVCODHPK-BCDXTJNWSA-N	415.416	4.550	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1	1810501452	IXLKDVIXMGXACM-UHFFFAOYSA-N	422.978	4.604	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)CC1	1827613533	FVBWZSWSZCNNFM-LEAZDLGRSA-N	414.993	4.747	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(C(F)(F)F)cc2)c1C	26569916	SHXCXKSDYULNMP-GDXCHIGESA-N	419.447	4.555	50	20	HJGD	
CC(C)c1ccc(SCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1	117166737	GZWUJHATSYFIIT-UHFFFAOYSA-N	424.522	4.535	50	20	HJGD	
CCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1OC	198588496	DZEDPXLVRLOVBN-PTNGSMBKSA-N	415.287	4.792	50	20	HJGD	
C=CCNC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1	213501161	NUERTCKGUFSULS-MOSHPQCFSA-N	408.461	4.554	50	20	HJGD	
CC(C)(C)[C@@H]1COC(Cc2ccccc2P(c2ccccc2)c2ccccc2)=N1	215529903	NLXOAOKBRNOSBF-DEOSSOPVSA-N	401.490	4.831	50	20	HJGD	
Cc1cc(Br)cc(C)c1NS(=O)(=O)c1ccc(CCCl)cc1	315425069	IZEMYDQZXLDEOG-UHFFFAOYSA-N	402.741	4.648	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2cc3c(s2)CCCCCC3)cc1	726445010	OKGYNQLWWDGHLW-UHFFFAOYSA-N	417.600	4.826	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1	727498782	FQKQBYCUNWDEAA-UHFFFAOYSA-N	417.534	4.676	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1[nH]c2ccc(Cl)cc2c1Cl	727804910	SSYJUTCAZAZSMW-UHFFFAOYSA-N	417.079	4.856	50	20	HJGD	
COc1ccc(O)c([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	729534864	DZWNVQMYPNIFLF-BRLDDBHUSA-N	409.530	4.650	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2sc(C)nc2C)c1C	730202869	SFWIMOHZKDDVDM-DBPUNKTJSA-N	414.575	4.512	50	20	HJGD	
O=C(CCCSc1ccc(Br)cc1)NNc1ccc(F)cc1F	733361916	INRQICRPPDQMLO-UHFFFAOYSA-N	401.276	4.743	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c(OC(F)F)c1	734094921	JALXTPHCZOLQQB-XYOKQWHBSA-N	423.213	4.605	50	20	HJGD	
Cc1cc(NNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)ccc1Br	734254326	YBAFVPSSNLCTNU-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC(=O)c1cc2c(s1)CCC2	740760922	DMKIFNAJCFPZKN-UHFFFAOYSA-N	412.946	4.516	50	20	HJGD	
N#C/C(=C/c1cnc2ccccn12)C(=O)Nc1nc(-c2ccccc2Cl)cs1	740764189	NQPWTOIBVBSVJD-LCYFTJDESA-N	405.870	4.657	50	20	HJGD	
O=C(NNC(=O)C1CCC1)c1cccc(CSc2c(Cl)cccc2Cl)c1	741690615	KLINSQKHFQDLFG-UHFFFAOYSA-N	409.338	4.847	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1	741870339	RBTNLVQUTHHQOC-UHFFFAOYSA-N	413.717	4.651	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3nc(C)c(C)s3)c2C)c1	743782863	BUSHVVOUXJHHTD-RGVLZGJSSA-N	404.539	4.699	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccccc3)ns2)c1C	744368279	YQURQIJOPAWWEM-VBNMEBLOSA-N	420.538	4.982	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1	746703819	GYCPRNAOYZFPEN-UHFFFAOYSA-N	408.383	4.714	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](O)c2ccccc2F)c(C)n1C1CCCCC1	746710279	DHVFGKIHQUPXBV-FMTUWFKASA-N	409.505	4.506	50	20	HJGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1sc(-c2cccnc2)nc1C	747610415	CZTBNPVZEYYKNU-UHFFFAOYSA-N	400.507	4.750	50	20	HJGD	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NNc1cccc(F)c1	748101080	JDRQDDNGOVWWBH-UHFFFAOYSA-N	421.856	4.997	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1csc(-c2ccc(F)cc2)n1	748203782	MAMKTWFXUDFOPB-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccn3)ccc2Cl)cc1C	754877266	VYJJPQGAGLMYMY-UHFFFAOYSA-N	410.930	4.650	50	20	HJGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)[C@H](C)C1	761249931	MEOVEQCXJNDOHE-CVEARBPZSA-N	419.481	4.580	50	20	HJGD	
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCS1	762663400	DVVXFASXNNWCFO-LLVKDONJSA-N	404.426	4.637	50	20	HJGD	
COc1cc(-c2nnc(SC/C=C/C#N)n2C2CCCCC2)cc(OC)c1OC	763302188	TUZOIAXBJLJTSW-BQYQJAHWSA-N	414.531	4.648	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)s1	764324497	RSNXQJLZOOVTAO-UHFFFAOYSA-N	421.448	4.673	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c(OCc2cccnc2)c1	766491215	NCEMBFSFLDKGAX-UDWIEESQSA-N	410.433	4.783	50	20	HJGD	
COCc1ccc([C@H]2CCCN2C(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)o1	767248477	ZMVTXNWQRCRSLR-ZRELAVNMSA-N	409.530	4.771	50	20	HJGD	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)NNc3nccnc3C(C)C)o2)cc1	772854043	NISCSFIWEJCAMQ-UHFFFAOYSA-N	413.481	4.987	50	20	HJGD	
C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)NNc3cnccn3)c2C1	775278931	OIARAOCHOQYGPM-STZPCZCHSA-N	421.504	4.905	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1csc(Cc2cccc(F)c2)n1	780669318	FSAWIQAWBYSHGM-UHFFFAOYSA-N	413.371	4.788	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)n2)c(C)n1C[C@H]1CCCO1	782850683	RPSRZHFCBXVNEQ-HTRKUNOGSA-N	419.312	4.531	50	20	HJGD	
COC(=O)c1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	782907627	KZQCWNZITVUGAL-UHFFFAOYSA-N	417.377	4.931	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(NC(=O)NCC)ccc2C)c1C	785991655	FKUFOQVLOJOQMH-XDHOZWIPSA-N	407.518	4.510	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cccc(OCC#N)c1)c1ccc(Cl)cc1Cl	787144983	NLMIFHPGQOYUHO-NCPSJORJSA-N	400.265	4.680	50	20	HJGD	
N#CCCn1ccc(NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n1	787384693	OVDZZEAYTVJNJU-ZDUSSCGKSA-N	403.817	4.660	50	20	HJGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc(Cl)cc1-c1ccccc1Cl	788695766	DLIZGLNZITZBKH-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
N#Cc1c(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n[nH]c1C1CC1	792661971	QBVIVZJMKHHDFG-UHFFFAOYSA-N	414.381	4.617	50	20	HJGD	
N#C/C(=C\c1c(F)ccc(I)c1F)c1nc2ccccc2[nH]1	794865129	IFYWOIZXJSIZSF-VQHVLOKHSA-N	407.161	4.510	50	20	HJGD	
Cc1noc(C(F)F)c1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015089	LCTYDGYPVBEKIC-UHFFFAOYSA-N	403.229	4.715	50	20	HJGD	
Cn1cc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c2ccccc21	818268084	ADBDPPKWLXQIJE-UHFFFAOYSA-N	404.451	4.579	50	20	HJGD	
CCCN(C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C)[C@H]1CCc2ccccc21	914512174	JXPGNRBESSLALU-KZVLXBEFSA-N	405.542	4.584	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)CC(C)C)c1C	914518393	ONKGTLWRHBJDTJ-GEUHTFEZSA-N	407.558	4.904	50	20	HJGD	
CC(C)Oc1ccccc1/C=C(/C#N)c1nc(O)c2cc(Br)ccc2n1	914786608	JPJVACPWBGXFMU-ZROIWOOFSA-N	410.271	4.949	50	20	HJGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	915903125	SPCAOBNHYDSLAV-UHFFFAOYSA-N	412.946	4.747	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H](Cc1ccccc1)c1ccccc1	915918387	OTCVHFVCCIEOGM-OJNXCIKNSA-N	417.553	4.517	50	20	HJGD	
CCOc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OC	916273630	OIZONAHLRHAGTB-UHFFFAOYSA-N	413.326	4.643	50	20	HJGD	
CCCCCCC(C)=NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	917572543	YZMKXSADBWRDPD-UHFFFAOYSA-N	404.514	4.521	50	20	HJGD	
COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(CCCl)cc2)cc1	917735824	XKKNAGVNYPDXBL-UHFFFAOYSA-N	421.971	4.934	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNC(=O)c3ccc4ccccc4c3)c2C(C)C)cc1	918109880	HZMBYFIDUOZSAT-UHFFFAOYSA-N	412.493	4.532	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCc3c(Cl)cccc32)c(C)n1C[C@@H]1CCCO1	919873479	UZSGJTBHRCFKEW-PKOMTXTRSA-N	423.944	4.648	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2csc(N(C(C)=O)c3ccccc3)n2)n1	920399241	RCNLMTRZGXZDNC-ZROIWOOFSA-N	424.507	4.525	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2NCc2ccccc2Cl)nn1	1116417779	KKNUMUJHYGZBNM-UHFFFAOYSA-N	409.921	4.797	50	20	HJGD	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNC(=O)c1ccccc1Cl	1262219973	BIRMZPBJVPOCST-ZRDIBKRKSA-N	400.862	4.682	50	20	HJGD	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)NNc2ccc(C(C)(C)C)nn2)cc1	1319175153	GNKDYNRSQDKELA-MRXNPFEDSA-N	419.529	4.837	50	20	HJGD	
Nc1cnnc(NNC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)c1Cl	1319425236	PDSWPPUUZOBPSJ-UHFFFAOYSA-N	414.705	4.504	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1	1786010848	SVVFJYZFXTWJNG-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
C[C@@H](CBr)C(=O)Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1	1786070908	YMIWIGQRMUSRLJ-ZDUSSCGKSA-N	421.360	4.527	50	20	HJGD	
CCCC(=O)Nc1ccc(C2(NC(=O)/C(C#N)=C/c3ccc(F)cc3F)CCC2)cc1	1787698916	CMXWKPMKVJHUIS-GHRIWEEISA-N	423.463	4.806	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3cccc(Cl)c3C)C2)CC1	1805099473	QYKPMUUYTZYLMR-QGZVFWFLSA-N	411.373	4.511	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccsc2)n[nH]1	1815980557	VBBFZUBXGDFLHE-FKDHNMLASA-N	420.966	4.584	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(C)c2)n[nH]1	1820535861	UOVRAJSOXJKWEU-IEBWSBKVSA-N	416.953	4.740	50	20	HJGD	
CC(C)Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)cc1	1830690974	CPGFOFHXTKDCKF-LEWJYISDSA-N	422.972	4.653	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccccc1-c1ccc(C)cc1)C2	1841671159	MWGKSJFBPULKKH-QFIPXVFZSA-N	424.972	4.887	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(Cl)cc1	3588587	UNBNXACQMDOGOI-WQRHYEAKSA-N	414.826	4.847	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc1	8030126	SFMQKGUOQXZGAQ-UHFFFAOYSA-N	411.449	4.559	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccnc(Sc3ccccn3)c2)cc1	726771709	HGLOKHJERALPST-GHRIWEEISA-N	402.479	4.572	50	20	HJGD	
Cc1ccccc1CC(C)(C)NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	728184402	ZZVXIZQFUJWTJD-AKKXDVJXSA-N	419.569	4.637	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)NCc1ccccc1Cl	729306998	HRZWVCTYDYDABF-ZFWWWQNUSA-N	401.981	4.602	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc2c(s1)CCCCC2)c1csc2ccccc12	730028509	BYDWNQHESWCPBK-ZDUSSCGKSA-N	413.568	4.937	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)C1CCCC1	730169519	VHKCOLPSQHNOJM-GOSISDBHSA-N	406.910	4.650	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc([S@@](C)=O)c3)c2C)cc1	732123227	TVPBSJXZYRMENR-GSIQVWSFSA-N	417.534	4.686	50	20	HJGD	
O=C(NN=Cc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccc2ccccc2c1	732713103	XSUYKNVPBYBWCQ-UHFFFAOYSA-N	419.282	4.756	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)N(CC(F)(F)F)C1CC1	732714617	BBGXTCCLCYEPIZ-LICLKQGHSA-N	418.390	4.865	50	20	HJGD	
CC1(C)CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1	732969240	VJAXTRSHZDVDFN-AQTBWJFISA-N	421.932	4.673	50	20	HJGD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NNc1ccc(Br)cc1Cl	733808172	UJCGBPAQYCFYJS-UHFFFAOYSA-N	405.683	4.558	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)C1(c2cccc(F)c2)CC1	734437857	MERPDGDWXPLGEM-UHFFFAOYSA-N	417.200	4.782	50	20	HJGD	
C[C@H](c1ccccc1)N1CCC(NC(=O)NNc2ccccc2C(F)(F)F)CC1	734946028	CAICGDVQXQRCNJ-OAHLLOKOSA-N	406.452	4.557	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1CCCN(c2ccccc2Cl)C1=O	741711451	PUKQEYUJMQYDST-HOCLYGCPSA-N	413.008	4.666	50	20	HJGD	
CNC(=O)c1cccc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1	741896476	IKJNJPHZSQAUCF-INIZCTEOSA-N	402.825	4.518	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2)cc1	742096369	DLIBYQJAURDWSN-SAPNQHFASA-N	408.454	4.945	50	20	HJGD	
CCOc1ccc([C@H](NC(=O)NNc2ccc(Cl)nc2)C(C)C)cc1OCC	745395041	WQNMDESAHBEDBK-LJQANCHMSA-N	406.914	4.556	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc(Cl)cc2F)c(-c2ccccc2)cc1OC	747646038	JYPFVCYYHPQOIJ-UHFFFAOYSA-N	412.848	4.927	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2coc(-c3ccccc3)n2)cc1	749887882	ZJZRDCYVBOVXPR-CPNJWEJPSA-N	409.449	4.690	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1ccc(Oc2ccccc2)cc1	755355286	VGCVOTGZZKSZIT-UHFFFAOYSA-N	414.421	4.600	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2ccc(Cl)nc2Cl)cc1	761476339	GXMFHBOXWQYEFH-XNTDXEJSSA-N	412.280	4.737	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)C[C@H](O)c2ccco2)c(C)n1C1CCCCC1	761861895	QXFKGADGTNVCFB-KBUYGTPMSA-N	409.530	4.739	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(C(=O)NC2CCCCC2)cc1	769979692	ZZYSHRGNIKQGLB-UHFFFAOYSA-N	409.515	4.507	50	20	HJGD	
CC(C)n1cc2cc(NC(=O)NNc3ccc(F)cc3Br)ccc2n1	770042619	RULRGFBNSXLAHD-UHFFFAOYSA-N	406.259	4.667	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H]2COc3cc(Cl)ccc32)c1C	774516008	XKYCGYKJHHXASG-WHSZTZOSSA-N	414.889	4.550	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccccc3NCc3ccco3)c(C)cc2c1	778514327	IDKBIELYBBFMOQ-UHFFFAOYSA-N	402.454	4.514	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCO2)C(=O)c1ccc(Cl)s1	783686940	BXHXBVZNSPUCHJ-YHYXMXQVSA-N	410.676	4.725	50	20	HJGD	
CCN(C(=O)c1cc(NC(=O)NNc2c(F)cccc2F)ccc1Cl)C(C)C	786470062	FPBZHYRQLJHWLW-UHFFFAOYSA-N	410.852	4.637	50	20	HJGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1	787890673	LWVUKRPLMOJNLP-UHFFFAOYSA-N	422.897	4.699	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNc3nnc(-c4ccccn4)s3)c(F)c2)cc1C	788567014	SRXQJYZNLMVHRL-UHFFFAOYSA-N	419.485	4.780	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(Br)cc2OC(C)C)ccc1Cl	790169174	WUJLERLQLBPENJ-UHFFFAOYSA-N	413.699	4.655	50	20	HJGD	
C[C@@H]1OCC[C@]12CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CCO2	791866876	UPTGNVBNTPJLSC-NHYWBVRUSA-N	402.385	4.756	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2nc(C(F)(F)F)cs2)c1C(C)C	792379480	IJEJZQPJHKPFGA-UHFFFAOYSA-N	409.437	4.536	50	20	HJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3ccc(Cl)nc3)s2)cc1	792644722	UGGYZZVJZGXBRS-UHFFFAOYSA-N	402.907	4.577	50	20	HJGD	
O=C(C[n+]1ccccc1)NN=C(CC1CCCC1)c1ccc(Oc2ccccc2)cc1	794460902	XWPGZOHDCOMSLB-UHFFFAOYSA-O	414.529	4.867	50	20	HJGD	
CO[C@]1(C)CCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	797376257	MXBUJXZLLLRDJT-MRXNPFEDSA-N	416.412	4.700	50	20	HJGD	
CN(Cc1ccccc1)C1CCC(=NNC(=O)c2cc(-c3ccccc3)on2)CC1	797787369	NOSMZSCCBQFDPR-UHFFFAOYSA-N	402.498	4.502	50	20	HJGD	
O=C(NNC(=O)[C@H]1CCCC(F)(F)C1)Nc1c(Cl)cc(Cl)cc1Cl	802072236	IEYYYQSQTNEHEV-ZETCQYMHSA-N	400.640	4.625	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@H](c1ccccc1)c1cccc(Cl)c1	806455602	UFOBPHDCCSYUDE-OAQYLSRUSA-N	418.884	4.597	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2csc(COc3ccc(C)cc3)n2)cc1	811560499	SZQUOTATRKTDEB-YBFXNURJSA-N	404.491	4.989	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Br)c1cccc2cccnc12	811639707	FKBODHVOIOJWAC-UHFFFAOYSA-N	422.204	4.780	50	20	HJGD	
CC(=O)N[C@@H](CC(=O)NN(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	821697186	HMPYSAGFPJHTBT-QFIPXVFZSA-N	407.901	4.777	50	20	HJGD	
COc1cc(C2(C(=O)NNc3ncnc(Cl)c3C(C)C)CCCC2)ccc1C	857546625	XUKLFIUGXVWPNB-UHFFFAOYSA-N	402.926	4.526	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2[N+](=O)[O-])c(C)n1C1CCCCC1	916422704	KBGGOXSFVQDUJX-DEDYPNTBSA-N	406.486	4.742	50	20	HJGD	
O=C(Cn1cnc2ccccc21)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	1115813253	YCFBGUVNNAJTKF-UHFFFAOYSA-N	413.264	4.753	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2c(OC(F)(F)F)cccc2[nH]1	1317981704	XOTJSLJZUIWNME-UHFFFAOYSA-N	403.282	4.842	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccc(OC(F)F)cc1)c(C)n2C1CC1	1334935419	GPHIIHIVGUQIMQ-UHFFFAOYSA-N	401.413	4.652	50	20	HJGD	
Cc1nc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)sc1C	1786012514	JNLMMOLOVFDQHC-UHFFFAOYSA-N	419.978	4.773	50	20	HJGD	
NCC(=O)NC1(c2ccc(NC(=O)CCCCCCCCCCCl)cc2)CCC1	1790464604	HPFBIPLRMFQHLB-UHFFFAOYSA-N	422.013	4.829	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3OC)CCC2)cc1	1790488463	RGTJZJQIOXJNSI-SFHVURJKSA-N	418.896	4.599	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](Cl)CCC)[nH]n1	1819552950	KWYGIDMOZDMYLG-DOTOQJQBSA-N	408.974	4.802	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1824615550	DUUNXKSDRZRUCI-LBNTZDJNSA-N	409.014	4.760	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1	1824616047	IKOQPNLRKYPLIN-FCHUYYIVSA-N	419.009	4.944	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(C)s2)CC1	1832173642	LMBKHKWWRGYWTK-FBWYZNFGSA-N	423.022	4.707	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccc(F)cc1	71794413	FWRYVQJYISNQAJ-UHFFFAOYSA-N	418.403	4.647	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](COCC(C)C)c2ccco2)c(C)n1CC(C)C	727055189	JTUWBDSYFJCIHQ-PBDXZUMESA-N	411.546	4.791	50	20	HJGD	
Cc1ccc(-c2nc(C)c(C(=O)NNC(=S)Nc3ccccc3C(C)C)s2)o1	727171394	GRSVYVXOPAZQFB-UHFFFAOYSA-N	414.556	4.775	50	20	HJGD	
C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)C(C#N)=C1Nc2ccccc2N1	729680531	VCQWAJHBJNLERB-GFCCVEGCSA-N	405.458	4.538	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cc(F)c(F)c(F)c1	731477886	QSWRRGUGDSEXSU-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
O=C(NNC(=O)C1CCC1)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1	732463938	NRMLTTQATPZNSL-GOSISDBHSA-N	424.303	4.547	50	20	HJGD	
Cc1ccccc1[C@H](NC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1)C1CC1	732892679	FBVNQNRLYOBCIA-JOCHJYFZSA-N	409.530	4.515	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cccc(Oc2ccccc2)c1	732976439	BUNBWKZDLWQQDF-UHFFFAOYSA-N	406.829	4.939	50	20	HJGD	
Cc1ccccc1COc1cccc(CC(=O)NNc2cc(F)c(F)cc2F)c1	734551683	OMHOTXPRPHLIFE-UHFFFAOYSA-N	400.400	4.677	50	20	HJGD	
C[C@H]1CC(OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)C1	744212679	JIVCBQGXCHEFQL-AVAGLIGESA-N	402.498	4.739	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)c1C	747397500	HBLUXZBEEREDBL-AEAFQSKTSA-N	420.557	4.674	50	20	HJGD	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNc1cccc(F)c1	748087119	GSWYXNICHWNRDE-UHFFFAOYSA-N	403.866	4.858	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3cccc4c3CCCC4)c2C(F)(F)F)cc1	748570883	ZAFPMVHWZBJXAE-UHFFFAOYSA-N	414.431	4.835	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cc1	748718285	SZJXSLBRDOWBNP-UHFFFAOYSA-N	415.808	4.820	50	20	HJGD	
COc1cc(Cl)c(C=NNC(=O)c2ccc(OC(C)C)c(OC)c2)cc1Cl	753923452	JFDINYIGTKLVOQ-UHFFFAOYSA-N	411.285	4.562	50	20	HJGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)Nc1cccc(C(F)F)c1	756299310	ALAJVDCDYMKSSI-LBPRGKRZSA-N	411.836	4.515	50	20	HJGD	
Cc1ccc(-c2cncc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1	758242424	IEHUFRABNLBUIZ-UHFFFAOYSA-N	416.359	4.741	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1ccc(OC(F)(F)F)cc1	761596669	WJWJBJWYKJFIHW-UHFFFAOYSA-N	418.419	4.825	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCOC2(CCOCC2)C1	762979749	LAUPSEQFKKTUGZ-UHFFFAOYSA-N	402.385	4.757	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccccc3)s2)c(C)n1CC(C)C	766674480	IRBDGZLSJKXRPS-RGVLZGJSSA-N	420.538	4.930	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1F)c1ccc(Br)cc1	767083721	FGZQIRRUDJMGQT-VIFPVBQESA-N	416.088	4.598	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2c[nH]c3ncccc23)c1C	767543778	UBNRUXSGBGQGSB-DAQNXSASSA-N	418.497	4.503	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	768916142	SONZIDVZRRXVRF-QFXXMJIKSA-N	407.514	4.618	50	20	HJGD	
C[C@H]1CC(=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CCO1	773187820	QBNXEMLFSVAEAT-AWEZNQCLSA-N	411.552	4.873	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCSC(C)(C)C)c(C)n1C[C@@H]1CCCO1	775295121	ZBWMORJVGJNYSN-DTBYZMGXSA-N	404.576	4.656	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CCC(=O)N2CC1CC1	776068110	OFDNKJONYJDGRF-UHFFFAOYSA-N	419.312	4.831	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1cc(Br)ccc1Br	776183096	TUKXBNNHSJILEW-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(Br)cc1C(F)(F)F	776474119	ZHJSJLXQMHPDRT-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1cc(-c2cccs2)nc2ccccc12	777771996	PMPNMLJRQPPOOA-UHFFFAOYSA-N	403.463	4.507	50	20	HJGD	
O=C(NC[C@H](c1ccccc1)C(F)(F)F)NNc1ccccc1OC(F)(F)F	779661108	NAMUFVCWHRGZIV-GFCCVEGCSA-N	407.314	4.557	50	20	HJGD	
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NN(Cc2ccccc2)c2ccccc2)cc1	782825204	QKUKRQMDRRWRLW-LJQANCHMSA-N	417.509	4.540	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1	788188967	NMJUWQHRSAZETN-UHFFFAOYSA-N	409.442	4.975	50	20	HJGD	
CS(=O)(=O)c1ccccc1CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	790952703	RDMNWZLCCIFPKK-UHFFFAOYSA-N	415.405	4.929	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)c(C)n1CC(C)C	791021615	YRWWLACKZJVTPQ-JKYFQPHJSA-N	412.452	4.569	50	20	HJGD	
Cc1cccnc1NNC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1	791217496	TUJURDQEWYCUNV-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)Nc1ccccc1F	794687902	ISFRZKCTCDZQPW-NTEUORMPSA-N	400.335	4.576	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	799755865	LWGMGKDZWNSEKK-UHFFFAOYSA-N	401.514	4.708	50	20	HJGD	
COC(=O)c1sc2[nH]c(/C(Cl)=C\c3cccc(CCl)c3)nc(=O)c2c1C	799890728	WIUNFEXPHGCPBG-KPKJPENVSA-N	409.294	4.555	50	20	HJGD	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	801896863	DGVUYOXUVSPOBX-UHFFFAOYSA-N	422.504	4.565	50	20	HJGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)o1	839394676	QVLADFBGJWCIPF-UHFFFAOYSA-N	411.421	4.550	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)Cc2c(C)nc3ccccc3c2C)cc1	892425786	ONEBKZHDMNSFGV-UHFFFAOYSA-N	420.582	4.755	50	20	HJGD	
O=C(COCCOc1ccccc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918563261	OHNSVVXDCWCQSY-KRWDZBQOSA-N	419.852	4.940	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1cn2cc(Br)ccc2n1	918954531	BOUDNFRAULUDKV-CQSZACIVSA-N	415.378	4.854	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1nc(-c2ccccc2)oc1C1CC1	1253427667	HXTLUPHPJMKRJX-UHFFFAOYSA-N	417.387	4.917	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccc(Br)cc1)c(C)n2C1CC1	1318504411	KJPQTQAADKNSCI-UHFFFAOYSA-N	414.303	4.813	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)c(F)c2)c1C	1319754947	TVUBBBKWPAFOAZ-LHMUZUIKSA-N	417.912	4.889	50	20	HJGD	
C[C@H](Cc1ccccc1)C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788587967	RUEFFELGUYJRKD-BEFAXECRSA-N	402.897	4.534	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cc2cccnc2s1	1788970270	LWHVDUTVAGCOBR-INIZCTEOSA-N	417.893	4.578	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@H]3CCCC[C@H]31)C2	1793680930	PCIFXKSPUYUREO-UOZQCWKMSA-N	409.014	4.639	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1	1826526409	HVPHFTHSWFSRIJ-ITWZMISCSA-N	416.993	4.727	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1	1830309712	JKWBUZCFWGSOQZ-VQTJNVASSA-N	416.949	4.684	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)Nc1ncc(Cl)cc1Cl	11384722	NVPTWWYZTUKHMA-CMPLNLGQSA-N	423.387	4.973	50	20	HJGD	
CN1/C(=C(/C#N)C(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)Nc2ccccc21	14373893	KFOQNDJNSCUQMS-HKWRFOASSA-N	422.897	4.953	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	212427378	MBYQTWDOYMYVBH-STZFKDTASA-N	412.493	4.907	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1C	213005511	YFIMLUZWYUPKST-GHXNOFRVSA-N	406.269	4.661	50	20	HJGD	
Cn1c([C@@H](NC(=O)NNc2ccccc2Cl)c2ccccc2)nc2ccccc21	726271824	ZSYGZTVLMGQMHI-FQEVSTJZSA-N	405.889	4.642	50	20	HJGD	
O=C(NN=Cc1ccccc1OCc1cccnc1)c1c(Cl)cccc1Cl	727779378	ZRSWQLSLCZKAOY-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
Cc1ccccc1C1(C(=O)NNC(=O)c2c(Cl)cccc2Cl)CCCCC1	727791383	DFTSQGSEEJINAF-UHFFFAOYSA-N	405.325	4.965	50	20	HJGD	
COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	730464372	QRKZISGVWRAHPD-NTCAYCPXSA-N	404.438	4.572	50	20	HJGD	
Cc1ccc(-c2ncc(C=NNC(=O)c3ccc(Br)s3)s2)cc1	734297188	UXIHATXVDYYNKE-UHFFFAOYSA-N	406.330	4.706	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=C2CCC[C@@H]2Cc2ccccc2)c1	735616176	ZEMYSWDHUWPMTQ-OAHLLOKOSA-N	401.304	4.586	50	20	HJGD	
N#CCc1ccc(Oc2ccc(C(=O)NNc3cccc(C(F)(F)F)n3)cc2)cc1	740140254	RPVGZRLDUCCTDS-UHFFFAOYSA-N	412.371	4.716	50	20	HJGD	
CCC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1c(C)nn(C)c1C	741838362	RLZMDKGBXILVCR-UHFFFAOYSA-N	415.950	4.545	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	741893771	UOIHKWBLWRCUBH-UXHICEINSA-N	413.304	4.640	50	20	HJGD	
CC(C)(C)c1ncc(/C=C\C(=O)NNc2c(F)cc(F)cc2Br)s1	742708795	NSGYAICJSQIKNS-PLNGDYQASA-N	416.291	4.638	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ncc(C(C)(C)C)s2)c(C)n1C[C@@H]1CCCO1	742807048	XBTMTHBLRSCJGB-BHEJFATLSA-N	412.559	4.584	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	743325982	DACPACOYDXCEPT-UHFFFAOYSA-N	408.285	4.522	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1ccc(Oc2cccc(Cl)c2Cl)cc1	743414955	FYLGKELPXIGTFU-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CCCC[C@H]3CCSS3)ccc2NC1=O	744752017	OAEMOIFBRSXXCV-KMFMINBZSA-N	408.589	4.687	50	20	HJGD	
O=C(NNC(=O)N[C@H](c1cccs1)C1CC1)Nc1ccc(-c2ccccc2)cc1	745408069	SEZLXAJNMITXOR-FQEVSTJZSA-N	406.511	4.902	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NNc3cccc(C#N)c3)cc12	748045711	DQEHOWBGNBUEOW-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cnc(Cc2ccc(F)cc2)s1	748076557	IWMSGXZMNCJXIU-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
O=C(NC[C@H](CO)Cc1ccco1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752978372	KPYJOHDBRALZGY-LLVKDONJSA-N	400.369	4.910	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cccnc2SCc2ccc(F)cc2)cc1Cl	753315105	CUQHEYHXYCFAOO-UHFFFAOYSA-N	412.877	4.795	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(C(F)(F)F)ccc1F)c1nc(C2CCCCC2)no1	754663874	SKHVWHPHIMPYCU-JTQLQIEISA-N	415.391	4.663	50	20	HJGD	
COc1cc(F)cc(NNC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)c1	759318939	AXKNRHFFVLXXEW-LLVKDONJSA-N	405.882	4.660	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	759326969	VZLAHRIDMSQJPE-UHFFFAOYSA-N	407.470	4.755	50	20	HJGD	
O=C(CCc1nc2cc(Cl)ccc2s1)NNc1ccc(OC(F)(F)F)cc1	761590129	FKWFJFMAOWNRKT-UHFFFAOYSA-N	415.824	4.924	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NNc1ncnc2ccsc12	765691415	VNRGJTAVIRUYJL-LBPRGKRZSA-N	410.528	4.511	50	20	HJGD	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)NN=c3cc[nH]cc3Cl)o2)cc1	768444622	SEDZIOFCSRFCDT-UHFFFAOYSA-N	404.857	4.544	50	20	HJGD	
O=C(NNc1ncccc1Cl)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	770030793	SBHYCVNTVKTGQZ-UHFFFAOYSA-N	416.268	4.789	50	20	HJGD	
C[C@H](Cc1ccccc1)n1cccc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	773326902	XPRLYUHGEADFCV-CQSZACIVSA-N	416.308	4.673	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1	773619510	HXNOAQQEEWKOFA-FQEVSTJZSA-N	410.470	4.589	50	20	HJGD	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NNc1ncccn1	775643759	XETNIQKRZYOILU-UHFFFAOYSA-N	419.464	4.670	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1	777482903	UXOXDUITRJWQGY-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
CC(C)OC1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	777938045	VCAXSFVSEXTTFZ-UHFFFAOYSA-N	409.442	4.922	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(COc2ccccc2)cc1	779200563	BCJIMNYNYYKZFP-UHFFFAOYSA-N	402.372	4.921	50	20	HJGD	
CCN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	779390659	AVBUADANRHAIKA-QWRGUYRKSA-N	424.794	4.683	50	20	HJGD	
CCOC(=O)COc1c(Br)cc(C)cc1/C=C(/C#N)c1nc(C)cs1	781551300	JLTMUZCUMVWDCZ-AUWJEWJLSA-N	421.316	4.529	50	20	HJGD	
CN(C)CC[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(C)(C)C	782983568	SQTLKSABMPUNGN-AWEZNQCLSA-N	424.501	4.989	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1	787432086	KQXWUZNQIKTZHQ-VLBBBODESA-N	406.844	4.997	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(NC(=O)c3cccs3)c2)ccc1Cl	788559846	IXOPZSCNJGRGQQ-UHFFFAOYSA-N	416.890	4.811	50	20	HJGD	
CSc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	798569577	VFKUEFLVHVFONJ-IASYIPQGSA-N	423.582	4.790	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ncnn2C(C)(C)C)c(C)n1C1CCCCC1	801210584	PLTDBYWFBMLSNT-UNOMPAQXSA-N	409.534	4.607	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)NNc3nccnc3C3CCC3)cn2)cc1C	806209052	NJFKNFOXDQUBHD-UHFFFAOYSA-N	404.474	4.697	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Br)c1c[nH]c2ccccc12	811629672	APEXJYJGBUCERK-UHFFFAOYSA-N	410.193	4.713	50	20	HJGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)C(=O)Nc1cccc(C2CCC2)c1	812986778	BWYZFEWQMCIBQD-UHFFFAOYSA-N	408.889	4.546	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccn1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	857513507	DZEBXPTWPATDTB-UHFFFAOYSA-N	423.744	4.948	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4n3C)o2)c([N+](=O)[O-])c1	915849153	DUASEUXSTVUFCH-SDNWHVSQSA-N	400.394	4.814	50	20	HJGD	
O=C(NN=C1CCSCC1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	915908839	QQJRLRFKGDSTGU-UHFFFAOYSA-N	415.518	4.613	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1OC	916129020	QBIQUYUBSKHWPP-YVLHZVERSA-N	419.506	4.990	50	20	HJGD	
CCOc1ccc(-c2nc(COC(=O)/C(C#N)=C/c3ccc(OC)cc3)cs2)cc1	916601258	QETODWSMZAQRTE-LDADJPATSA-N	420.490	4.868	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cc1	916651410	JNOAUUPAPSHORQ-NRFANRHFSA-N	407.901	4.636	50	20	HJGD	
COc1ccc([C@@H](NS(=O)(=O)c2ccc(CCCl)cc2)c2ccccc2)cc1	917856963	BHXGYAORPVSSEA-QFIPXVFZSA-N	415.942	4.544	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	918002389	GMEFNTSYDFHIDC-FQEVSTJZSA-N	411.864	4.521	50	20	HJGD	
O=C(NCCc1coc(-c2ccccc2)n1)NN(Cc1ccccc1)c1ccccc1	1318345784	KKRLQXDXKQMMTP-UHFFFAOYSA-N	412.493	4.805	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1ccc(Oc2ccc(F)c(F)c2)cc1	1319762308	TWFHCMIHUZMGDA-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
O=S(=O)(NC1(C2CC2)CCOCC1)c1cccc(S(F)(F)(F)(F)F)c1	1320465710	FCYMWAFCWNDBCL-UHFFFAOYSA-N	407.426	4.582	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3)CCC2)cc1	1786444148	PUSPCRFLHXIDFO-FQEVSTJZSA-N	414.933	4.607	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCOc3ccccc3)cc2)CCC1	1787676312	OSDIYTYSDWPARQ-HXUWFJFHSA-N	414.933	4.607	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4c[nH]nc4c3)cc2)CCC1	1788448481	BXQMXMGJJKXYNT-LJQANCHMSA-N	424.932	4.718	50	20	HJGD	
C[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)/C=C/C3CCCC3)CCC2)cc1	1791438126	XFSMKJJTYKBRNU-CUXKMMBLSA-N	419.363	4.650	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@]3(F)CCCC=C3F)CCC2)cc1)C(Cl)Cl	1791608178	HJDQOKWEKWCGLY-IBGZPJMESA-N	417.283	4.670	50	20	HJGD	
CC[C@@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)CCl)C2)c1ccccc1	1795567449	JTIMJRSEXWQQOG-RQXATKFSSA-N	419.009	4.720	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1	1820897704	FGEOLGRXQWKHCC-XBOKISCZSA-N	406.958	4.556	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	1831476125	JMTSJAQNPQJQNQ-YYDGMXKLSA-N	423.041	4.840	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2csc(N(C(C)=O)c3ccccc3)n2)cc1	7159277	RBMPONMBRNXCIB-QGOAFFKASA-N	416.506	4.936	50	20	HJGD	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(/C#N)C(=O)NC2CCCCC2)cs1	211471533	VODJGNMWJZQTDH-PDGQHHTCSA-N	422.554	4.800	50	20	HJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	726119266	WILILDPSNOGGOC-VZUCSPMQSA-N	401.098	4.829	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC3CCCC3)nc2)c1C	726926206	RCSHSVPOFHVLTA-SYERDGIWSA-N	422.529	4.574	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NNC(=O)Cc1ccccc1F	731316791	JWPSQUGJDXUBEU-UHFFFAOYSA-N	412.468	4.680	50	20	HJGD	
CC(C)n1c(S)nnc1C1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	731638913	QGOYCLGRHCEKIM-HNNXBMFYSA-N	414.666	4.568	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ncc(-c2cccc(Br)c2)[nH]1	731938402	PWGRYYKZSGWOEE-GDNBJRDFSA-N	407.271	4.693	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCOC[C@@H]3c3ccco3)c2C)c1	735026329	ZUKGPSLOVCKPKT-LJJBLSSYSA-N	415.493	4.503	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3sc(C)nc3C)c2C)c1	742088580	PCDKZSOZAUSIOT-JAIQZWGSSA-N	404.539	4.699	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F	747609135	KYUCJYVJDKGTJW-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	748582646	HHXLWWPFKZDJBF-UHFFFAOYSA-N	413.430	4.625	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748702973	DBULFXWQCMWYRK-UHFFFAOYSA-N	407.417	4.817	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccc(F)cc2)cc1F	748711428	XBWWUOPSIUDETB-UHFFFAOYSA-N	403.772	4.950	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NNc1cccc(C(F)(F)F)c1	748840657	JBWSPZZZKPQMEB-UHFFFAOYSA-N	422.838	4.977	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1C	751444086	VQADPRWATALREU-NVNXTCNLSA-N	400.862	4.528	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	751676663	ZSTQIBXNBDSWIZ-WJDWOHSUSA-N	407.832	4.999	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cc(F)cc(OC)c3)c3ccccc3n2)cc1	759315164	OUZXXKHSLGMBCL-UHFFFAOYSA-N	417.440	4.815	50	20	HJGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1Cl	774806940	UXZGXVKEQKVWJQ-UHFFFAOYSA-N	411.594	4.740	50	20	HJGD	
COc1ccccc1-c1ccc(CN(C(C)C)S(=O)(=O)CCCCCl)cc1	780798768	MURGFMJJLKVKGX-UHFFFAOYSA-N	409.979	4.921	50	20	HJGD	
CC(C)(C)Sc1ccc(NC(=O)C(=O)NNc2ccccc2C(F)(F)F)cc1	784831890	YVMAMYPUBKYBNR-UHFFFAOYSA-N	411.449	4.678	50	20	HJGD	
CCCc1cccc(C(C)C)c1NC(=O)C(=O)NNc1nc2ccccc2cc1C	788338301	OCWYGTIJEIAPEJ-UHFFFAOYSA-N	404.514	4.701	50	20	HJGD	
COc1cc(NNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)ccc1Cl	790178295	YMTXGPYVJPYBHX-UHFFFAOYSA-N	402.775	4.681	50	20	HJGD	
CCC(C)(C)c1ccc(NC(=O)C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1	790965937	MIYXBTDPSHDBLW-UHFFFAOYSA-N	411.399	4.614	50	20	HJGD	
CC(=O)N(Cc1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1)C(C)C	792312974	RSRCKFJINPHCEJ-UHFFFAOYSA-N	409.317	4.899	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1c(C(C)C)nn(Cc2ccccc2)c1Cl	792636095	RXABXNZUCLACAL-ATVHPVEESA-N	405.951	4.788	50	20	HJGD	
O=S(=O)(NCCCCCN1CCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	815069976	IWECECFPDVLWRK-UHFFFAOYSA-N	422.485	4.888	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)n2ccccc2=NC2CCCCC2)c1C	832913207	XVSOHYSBNTVHES-NRBWNUIFSA-N	420.557	4.595	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1	857545549	GEKGYEVIPFYASC-LLVKDONJSA-N	400.832	4.909	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccccc2N2CCCC2)c1C	914880065	LRJZOYBUDHQQAF-XQNSMLJCSA-N	404.558	4.681	50	20	HJGD	
COc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)c(-c2ccccc2)cc1OC	915270445	HITRMPYMOBSBAS-UHFFFAOYSA-N	408.885	4.717	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1csc(-c2cccc(Cl)c2)n1	915594234	WXJJEBTVOIBMRT-UHFFFAOYSA-N	423.350	4.748	50	20	HJGD	
CC(C)c1ccc([C@@H](NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)C(C)C)cc1	915930737	ICNWHOQTNAPDAQ-QHCPKHFHSA-N	406.530	4.562	50	20	HJGD	
O=C(NCc1ccccc1CN1CCCC1)NN(Cc1ccccc1)c1ccccc1	916221540	OZDIQVQDBKYJQU-UHFFFAOYSA-N	414.553	4.703	50	20	HJGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(OCC(=O)Nc2ccccc2)cc1	916278045	FFOMBNXOJQGHCO-UHFFFAOYSA-N	421.884	4.512	50	20	HJGD	
Cc1ccc(C)c(C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1	916293780	GOQMFCFLGXCBON-UHFFFAOYSA-N	404.539	4.766	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)Cc3c[nH]c4ccccc34)c2Cl)c1	916337552	BRZJKOVLAUHPBV-UHFFFAOYSA-N	419.916	4.625	50	20	HJGD	
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NNc2ccc(Cl)cc2Cl)c1	916648516	JTEIJDWTEAMZSU-GFCCVEGCSA-N	409.317	4.804	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H](CCc1ccccc1)c1ccccc1	1323720864	FNUYRVAJOMFPOT-OAQYLSRUSA-N	407.901	4.658	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1ccc2ccoc2c1	1790894559	ZIFLGLLESRNWLX-UHFFFAOYSA-N	417.292	4.984	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)ccc2C)[nH]n1	1815323644	AMYOUDXYUXTTCI-MJGOQNOKSA-N	416.953	4.740	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1	1822973758	NJTHUTBXMHLSKG-WJPUGNRLSA-N	406.958	4.556	50	20	HJGD	
CC(C)(F)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124535	BYRVNBDWGBNSOP-UHFFFAOYSA-N	402.982	4.688	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OCc3ccccc3)c2)cc1	212379317	CHQCGPDHSKVYRZ-ZHZULCJRSA-N	414.461	4.828	50	20	HJGD	
CC(C)C[C@H](NC(=O)NNc1ccc(Cl)nn1)c1cccc(C(F)(F)F)c1	726851194	JJAYISVDHHCCRG-ZDUSSCGKSA-N	401.820	4.562	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c2c(c1)C[C@@H](C)O2	727743764	HGWKONOPWIEIBX-MQOXYSQQSA-N	403.265	4.871	50	20	HJGD	
CN(C)C(=O)c1ccc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cc1	728178994	GSNJVGBXSOOUAL-KRWDZBQOSA-N	416.852	4.860	50	20	HJGD	
C#Cc1cccc(N(C(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)C(C)C)c1	728247844	JOZFSGQVRHIMGW-XSZPGNIMSA-N	415.537	4.614	50	20	HJGD	
C[C@H](Sc1ccc(Br)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1	728921993	KQJCQFBLYVRJTC-NSHDSACASA-N	400.301	4.772	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](C)C#N)c(C)n1-c1cc(Cl)ccc1Cl	732111576	PGLHQOVZVWXHQV-QFULYMJESA-N	401.297	4.584	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OC2CCCCC2)cc1	734817039	JJXHRDWQIJOBDJ-UHFFFAOYSA-N	422.312	4.787	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NNc3c(F)cccc3F)s2)cc1	735759593	YSIKVCINRALZQV-GFCCVEGCSA-N	418.469	4.793	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNC(=O)c1cccc2ccccc12	741572848	LRXWRQOETXWHCE-UHFFFAOYSA-N	403.507	4.624	50	20	HJGD	
Cc1ccc(N2CCCC2)c(C(=O)NNc2ccc(Br)cc2Cl)c1	743335647	XAROUROHAXUHBK-UHFFFAOYSA-N	408.727	4.768	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](CN(C)CC3CC3)C2)c(C)n1C1CCCCC1	746347289	ZKXVHBWJTARRRO-YQNSVDCASA-N	422.617	4.707	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3ccc(Cl)c(F)c3)cc12	746695638	OKMWJLZCJXYUCA-UHFFFAOYSA-N	400.866	4.945	50	20	HJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	749465670	BPCYXAOLNMNTKZ-IUSDJGRYSA-N	408.405	4.814	50	20	HJGD	
COc1cc(C(C)=O)ccc1S[C@@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	749849396	QFOZHPZQQAZPQW-HJIPDZNASA-N	410.520	4.900	50	20	HJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)Nc2c(CC)cccc2CC)cc1OC	750893669	RNEFZBZSSBDODP-XDHOZWIPSA-N	408.498	4.773	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@@H]1CCOc2c1ccc(Cl)c2Cl	753780857	QGQKUYOLHGEZMI-CYBMUJFWSA-N	418.227	4.745	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)c(C)n1CC(C)C	755377612	PPAQVANWIPCVPT-RGVLZGJSSA-N	419.504	4.764	50	20	HJGD	
CSc1cc(C)ccc1CNC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	756997141	NBIXJOBNIXRNHC-ZAAFRKLLSA-N	423.582	4.538	50	20	HJGD	
CC[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CC[C@H]1NC(=O)OC(C)(C)C	757365469	QTFALEMUJIWXSO-IXDOHACOSA-N	416.653	4.852	50	20	HJGD	
Cc1ccc(SCc2cccc(C(=O)NNc3ncccc3[N+](=O)[O-])c2)c(C)c1	759292198	RNJOZNXFWULXRL-UHFFFAOYSA-N	408.483	4.656	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(OC(F)F)c(Br)c3)nc12	768266354	BIIUWWWOVTXCKM-IZZDOVSWSA-N	405.202	4.694	50	20	HJGD	
COc1ccc(NNC(=O)c2ccccc2SCc2cccs2)c([N+](=O)[O-])c1	768329037	MREPHQYVSRODKD-UHFFFAOYSA-N	415.496	4.714	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc(NC(=O)c2ccccc2)c1	769965914	HYYSSLNYNAPNGP-UHFFFAOYSA-N	403.467	4.697	50	20	HJGD	
Cc1ccc(C(=O)NNc2c(F)cccc2Cl)cc1NC(=O)c1ccccc1F	770196685	CZMDSTHUJQLHME-UHFFFAOYSA-N	415.827	4.936	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1NC(=O)OC(C)(C)C	775257549	LMVNYZWDHGYXDQ-UHFFFAOYSA-N	410.396	4.513	50	20	HJGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)s1	778297978	JXWYTFUUCMBWRR-UHFFFAOYSA-N	422.535	4.558	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	780951842	LBFJIAIWVUIKMO-UHFFFAOYSA-N	422.300	4.918	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2cnccn2)c(C)n1-c1cccc(Cl)c1	781822841	PPAJNRGGCJFFIZ-VHWUNXFSSA-N	406.873	4.749	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)C(=O)Nc1cccc(Sc2ccccc2)c1	782813982	JDSPNGRTODDWKW-UHFFFAOYSA-N	420.519	4.529	50	20	HJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	783683164	HFZZHYUYBGRVBM-XGICHPGQSA-N	417.657	4.893	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)NNc3ccc(C(C)(C)C)cc3)cn2)cc1	784805231	AGSZAGRULGZEEK-UHFFFAOYSA-N	418.497	4.562	50	20	HJGD	
CN(C(=O)Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1)c1ccccc1	785362084	LRSZAWGXINLGLT-HKWRFOASSA-N	413.452	4.577	50	20	HJGD	
N#C/C(=C/c1ccccc1OCc1cccnc1)C(=O)NCc1cccc(Cl)c1	786057308	ZSBLTGUYFYRPIQ-NDENLUEZSA-N	403.869	4.537	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)ccc1Cl	788626882	NBJTYLABFZEOQC-UHFFFAOYSA-N	413.865	4.733	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1c(F)cccc1OC(F)(F)F	788975851	RWFPQMZTCOWWGF-UHFFFAOYSA-N	423.391	4.920	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H]2CCOc3c(C)cccc32)c1C	789501080	QEGDJDDPTPNALB-ITMNURAISA-N	408.498	4.595	50	20	HJGD	
Cc1cc(C(=O)NNC(=S)Nc2cccc(Cl)c2)c(C)n1C1CCCCC1	792996883	IRGQUDSIVAPASR-UHFFFAOYSA-N	404.967	4.895	50	20	HJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	794935949	BSJSZZXYMFPIMP-APSNUPSMSA-N	404.388	4.772	50	20	HJGD	
C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	796381653	XBHPZRBMJHWXSH-UGKGYDQZSA-N	404.671	4.503	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2SC)c1C	799404069	OQCGDSZWBVCMPW-SYHQVDNTSA-N	411.571	4.819	50	20	HJGD	
NC(=O)[C@@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc(F)cc1	801710938	JJUDNUCMCGPNEJ-ZDUSSCGKSA-N	413.343	4.831	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1cccc(NC(=O)Nc2ccccc2)c1	806183562	UNTGVNCGYOEPHE-UHFFFAOYSA-N	417.473	4.537	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1	810919752	RUNWLXDZVRGNQW-UHFFFAOYSA-N	412.515	4.733	50	20	HJGD	
COCCOCc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	812457309	ISPYMOAFWLJXGB-UHFFFAOYSA-N	403.693	4.567	50	20	HJGD	
C[C@]12CCN(C(=O)C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)C[C@H]1C2(F)F	815658475	CRCVXDCBDSMBQX-RISCZKNCSA-N	420.350	4.786	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1	816337656	CDPRMIVHICBHFA-UHFFFAOYSA-N	422.485	4.565	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c(C(F)(F)F)c1	816703564	KABHMJRJSRQRMB-UHFFFAOYSA-N	410.783	4.514	50	20	HJGD	
O=C1CC[C@H](C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21	817014398	GWFAKYGWBLKHFO-HNNXBMFYSA-N	416.321	4.928	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCOc2ccccc21	817015951	YRHJPJRUXFOHEB-AWEZNQCLSA-N	404.310	4.734	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccc(OC[C@@H]3CCCO3)cc2)n1	834721775	HNODKGUFAIBLDW-QMJOVRGKSA-N	411.527	4.544	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(N2CCOCC2)c2ccncc12	849367441	VJYLGYGUHYQTQP-INIZCTEOSA-N	417.600	4.724	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1	901385424	WQKFHNUOXYVTJY-QXPQOBGOSA-N	410.424	4.614	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1	912594137	JYVVYSGKHRIGBD-UHFFFAOYSA-N	400.485	4.576	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2Cl)c1C	914477880	DOZFJHJSZVRRBY-WXARJGPPSA-N	420.340	4.843	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(F)cc2)C(C)C)c1C	914501822	FVXNLFMLAQOVFJ-AIRTYWKNSA-N	411.521	4.796	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)c1oc2ccccc2c1CSC1CCCCC1	914842898	VKLOHBKXSAXEHJ-UHFFFAOYSA-N	400.544	4.950	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cc(Br)cs2)c1C	915704174	ZUXZNSZOCFGKBR-LZYBPNLTSA-N	420.376	4.905	50	20	HJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)cc1	915852794	YEIZKQHEJMDHOL-SSZFMOIBSA-N	405.889	4.675	50	20	HJGD	
O=C(NN=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1F	916292082	PMLDBLIFTOWSHD-UHFFFAOYSA-N	413.792	4.944	50	20	HJGD	
CCCCn1nc(C)c(C=NNC(=O)c2ccc(COc3ccccc3)o2)c1Cl	916360358	RBMGPSNDVZUVDN-UHFFFAOYSA-N	414.893	4.581	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2N2CCCC2)c1C	918705770	HRJRELRRBVVWOX-XQNSMLJCSA-N	404.558	4.729	50	20	HJGD	
CCN(CCP(=O)(c1ccccc1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1	918739640	QNPNZXPDPNMONO-OAQYLSRUSA-N	402.478	4.955	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCOc2ccccc2-c2ccccc2)cc1	921030246	LBUJDBMYPAGLKO-RELWKKBWSA-N	412.489	4.854	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCC2CCOCC2)c(C)n1-c1ccc(Cl)cc1	1318605780	SBECWBUPJIVYMS-ZHZULCJRSA-N	411.933	4.587	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)s3)cc2)CCC1	1787057345	GNBIQKBBEPFSLJ-MRXNPFEDSA-N	420.962	4.912	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccc(C2CC2)cc1	1788588982	RTWUCALXXRUQFA-LJQANCHMSA-N	400.881	4.846	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Oc3ccccc3)CCC2)cc1	1790488006	CNVXYJQFBCCNQJ-UZLBHIALSA-N	414.933	4.605	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1	1790488796	DDNZMFJYDARGQZ-HXUWFJFHSA-N	423.340	4.583	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccoc4s3)CC2)C1	1806157190	SCGIFWWZDFPFGU-INIZCTEOSA-N	422.978	4.747	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)cc(C)cc2C)[nH]n1	1820860027	IQNSSZXPHVICEQ-FUHWJXTLSA-N	416.953	4.658	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cc(Cl)c(Cl)cc1C)C2	1841670905	DPMYJRBVFKEBCH-AWEZNQCLSA-N	417.764	4.526	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1	6967498	KDTXMYSJPIUXFP-FQEVSTJZSA-N	407.564	4.846	50	20	HJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	7167610	BDPDZNNPNZHCHQ-FBJMNJBLSA-N	409.442	4.671	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1nccs1	23778470	AUFYYTCFTHRTFC-MDWZMJQESA-N	418.309	4.549	50	20	HJGD	
CC(=O)Nc1ccc(S[C@H](C)C(=O)NN=C(c2ccccc2)c2ccccc2)cc1	71945367	WNEUNQIQTOSEDD-QGZVFWFLSA-N	417.534	4.694	50	20	HJGD	
COc1ccc2nc(S[C@H](C)C(=O)/C(C#N)=C3/Nc4ccccc4S3)[nH]c2c1	102088476	HFHIEZFJEWYTLL-ZNCULLJESA-N	408.508	4.574	50	20	HJGD	
C[C@@H](Sc1cccc(Br)c1)C(=O)C(C#N)=C1Nc2ccccc2N1	105518215	ZSZVAZGKMWIONY-LLVKDONJSA-N	400.301	4.772	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cnn(Cc2ccccc2Cl)c1	209228579	YOOBAVXQKFDWLY-WQRHYEAKSA-N	406.873	4.529	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)s1)C(=O)Nc1ccc2c(c1)OCCO2	213759552	ZTNPWSNNWXJRML-KAMYIIQDSA-N	406.438	4.871	50	20	HJGD	
CCOc1cc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OC	215880132	PGIWEEHHSMFLDB-ZSOIEALJSA-N	412.294	4.739	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)CC2CCOCC2)c1C	303542800	YTTSUOJDDOUIDN-XYGWBWBKSA-N	419.569	4.877	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(OCc2ccccc2F)cc1	303596527	WLYIZOYMSXPEGK-UHFFFAOYSA-N	401.869	4.709	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNC(=S)Nc3ccccc3C(C)C)cs2)c1	727174330	RSSKMESFJUUBLJ-UHFFFAOYSA-N	424.595	4.802	50	20	HJGD	
C[C@H](NC(=S)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C1CC1	727271101	XENQDTWAIJCPLB-ZDUSSCGKSA-N	420.003	4.540	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3nc(-c4ccccc4)no3)c3ccccc3n2)o1	728081047	YYCYAFZGCQLXFV-UHFFFAOYSA-N	411.421	4.610	50	20	HJGD	
CC(C)n1c(S)nnc1C1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	731638914	QGOYCLGRHCEKIM-OAHLLOKOSA-N	414.666	4.568	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)Cc1cccc2ccccc12)c1ccc(Cl)s1	734069219	MOIMBWIYJFMXNC-INIZCTEOSA-N	401.919	4.579	50	20	HJGD	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NNc3cc(F)c(F)cc3F)c12	734552807	RLEJJXQSVJPAAD-UHFFFAOYSA-N	416.359	4.780	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1	743433956	HEZCZVPLPOBMIU-NRFANRHFSA-N	422.912	4.744	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2	743818981	VEZKHWZPJPUQMS-UHFFFAOYSA-N	416.312	4.600	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nnc(-c3cccc(F)c3)o2)c1C	744570281	KAPRCQHCISGNLC-ODLFYWEKSA-N	422.460	4.745	50	20	HJGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1	745644878	NCWZYFJLPVZILU-INIZCTEOSA-N	424.423	4.550	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(C(F)(F)F)cc2)cnn1-c1ccc(F)cc1	747588462	IYDDRWBEMOYJAH-UHFFFAOYSA-N	406.383	4.911	50	20	HJGD	
Cn1ccnc1SCc1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1	748019001	UJTDZCYQSMNLDA-UHFFFAOYSA-N	407.326	4.776	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cncc(-c2ccc(Cl)cc2)c1	748066084	JFJQGNZUHQHJDD-UHFFFAOYSA-N	402.679	4.921	50	20	HJGD	
C#CCn1cnc(-c2ccccc2)c1NC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	749360841	IBIYGBNYVRNBIO-PXLXIMEGSA-N	411.509	4.557	50	20	HJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	750044446	VDMQCLWYUDKHSK-NAGKPISUSA-N	419.416	4.528	50	20	HJGD	
CC(C)c1nn(C)c2sc(C(=O)NNc3cc(C(F)(F)F)ccc3F)cc12	754152743	WDUOTRDRHYXKOL-UHFFFAOYSA-N	400.401	4.673	50	20	HJGD	
Cc1nnc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)s1	759933241	ZBAVSIOHGKOKCM-KRTXAFLBSA-N	410.874	4.949	50	20	HJGD	
CN(C)C(=O)N1CCC(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762518042	IYPSROOGUZVXSL-UHFFFAOYSA-N	401.401	4.676	50	20	HJGD	
COCCCOc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)c1	765614371	UQNRZMGCCVSFMV-GDNBJRDFSA-N	417.259	4.837	50	20	HJGD	
Cc1ccc(COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1F	766293504	RNRQHCOREKBHPU-MOSHPQCFSA-N	414.440	4.562	50	20	HJGD	
C[C@@]1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO[C@@H]1C1CC1	767300696	MUTKYXFADHHWSA-CABCVRRESA-N	421.453	4.828	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2NCc2ccccc2Cl)c1	768706813	DOYOAKRGEGUIFW-UHFFFAOYSA-N	412.280	4.629	50	20	HJGD	
Cc1nc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)c2ccccc2n1	770552659	CJEBXDGBCJWNMN-GHTHLWOPSA-N	404.520	4.941	50	20	HJGD	
Cc1ccc(C(=O)Nc2cccc(CNC(=O)NNc3c(C)cccc3F)c2)cc1	771301449	VTZUYUQCDUHDCN-UHFFFAOYSA-N	406.461	4.521	50	20	HJGD	
CC(C)n1c([C@H]2CCCN(C(=O)/C(C#N)=C/c3ccc(O)cc3)C2)nc2ccccc21	776654761	TUCRCBFTBSZVDB-XPFMCRKWSA-N	414.509	4.636	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)nn1-c1cccc(Cl)c1	777425933	PHWFRFLHWANVNP-UHFFFAOYSA-N	424.810	4.532	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNc1ccc2ccccc2n1	777464834	HZIOBWPSOZEMMR-UHFFFAOYSA-N	405.889	4.507	50	20	HJGD	
O=S(=O)(NCCC[C@@H]1CCCCO1)c1cccc(S(F)(F)(F)(F)F)c1	778069972	RCUFZCNFDGGJLQ-LBPRGKRZSA-N	409.442	4.972	50	20	HJGD	
C[C@H](Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CCS(=O)(=O)CC1	779049872	SWNRFRUTVFIPPJ-HZMBPMFUSA-N	401.903	4.531	50	20	HJGD	
Cc1ccsc1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783462681	HLMQKWRVJXMVFF-UHFFFAOYSA-N	407.407	4.833	50	20	HJGD	
C[C@H](OC(=O)[C@H](Br)C(C)(C)C)c1nnc(-c2cccc(Cl)c2)o1	784734062	YYVFIWUWBYIWGX-CABZTGNLSA-N	401.688	4.804	50	20	HJGD	
COc1ccc(CCN(Cc2ccccc2)C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	787298065	DWJPSSGGVQEJFF-HAVVHWLPSA-N	412.489	4.579	50	20	HJGD	
O=C(NN=Cc1cnc(-c2ccc(Cl)cc2)s1)c1cc(-c2ccccc2)on1	788974360	BVADQSUTENPIRW-UHFFFAOYSA-N	408.870	4.882	50	20	HJGD	
Cn1cc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c2cc(F)ccc21	794845574	RKKYSIUXNCLGOO-UHFFFAOYSA-N	423.451	4.692	50	20	HJGD	
C=C(CBr)COC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1	795374443	YJEFKGISKAOLHF-UHFFFAOYSA-N	413.271	4.820	50	20	HJGD	
COC(=O)c1sc2[nH]c(/C(Cl)=C/c3cccc(CCl)c3)nc(=O)c2c1C	799890727	WIUNFEXPHGCPBG-GHXNOFRVSA-N	409.294	4.555	50	20	HJGD	
O=S(=O)(N[C@H]1CCCC12CCOCC2)c1cccc(S(F)(F)(F)(F)F)c1	800166658	STQLUULIRPKIOW-AWEZNQCLSA-N	421.453	4.972	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ncc(-c2ccccc2)s1	811637331	TVAAIIQYIBMTPS-UHFFFAOYSA-N	404.520	4.626	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1C	812715854	BKNKWQOAOYKQJU-UHFFFAOYSA-N	400.784	4.601	50	20	HJGD	
COc1ccc(NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C)c(C(F)(F)F)c1	816702806	CRJYTLDFCYFQBJ-UHFFFAOYSA-N	424.810	4.618	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1C	864237822	NPEGOSPDYZTQOW-LTGZKZEYSA-N	418.541	4.687	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2nccn2C(F)F)c1C	913023607	RTZQENCBHSIVFP-UNOMPAQXSA-N	423.467	4.560	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccccc1C(=O)c1ccc(F)c(F)c1	915065591	UEUCIHFYPGJPIL-UHFFFAOYSA-N	420.337	4.972	50	20	HJGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1sc(Oc2ccccc2)nc1Cl	915949979	XCIMLBSERCGHHJ-GFCCVEGCSA-N	419.865	4.646	50	20	HJGD	
Cc1ncc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)s1	916506458	IBLIYXSCNOMEGX-RGVLZGJSSA-N	404.539	4.733	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(Cl)nc2)c(C)n1-c1ccccc1F	917723938	COJUPEWTXJYCLF-VCHYOVAHSA-N	408.864	4.505	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)n1	920398081	GQGQWKDEDLDXII-BOPFTXTBSA-N	407.495	4.800	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NN=C2CC=C(c3ccc(F)cc3)CC2)CC1	1116493272	MJYLVALPKWINFC-UHFFFAOYSA-N	415.509	4.512	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc(OCC#N)c2)c(C)n1C1CCCCC1	1318560531	LINHWYKOLQYWCI-PXLXIMEGSA-N	416.525	4.736	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cccc(OCc2cccc(C(=O)O)c2)c1)C1CCCCC1	1322753154	UQQWSRIXPCJOMJ-FYJGNVAPSA-N	418.493	4.662	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)CCC1	1790319304	ROKAQVLEEAJNQG-LJQANCHMSA-N	414.933	4.769	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2C)n[nH]1	1814599955	XCOADMXWTBRNHJ-WMLDXEAASA-N	423.344	4.695	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](Cl)CCC)CC1	1824615909	JINFYMOLOFOGFH-HKBOAZHASA-N	409.014	4.782	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1	1832556096	OPTXKKNAWCNJSV-YADHBBJMSA-N	416.993	4.815	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc2nc(N3CCOCC3)sc2c1	22699843	BMUBUTMHRLDTBT-HNNXBMFYSA-N	423.629	4.786	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)c1C	105500670	ROVORAAZEFAVPV-XUKJQLKWSA-N	421.541	4.621	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2	212383352	VWQIQLUPKVWJKO-ZHZULCJRSA-N	412.445	4.582	50	20	HJGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)cc1	727683011	APMQPHIXLZPQMW-CYBMUJFWSA-N	424.913	4.705	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl	727791798	WZSCGBMPSKWLIL-NXEZZACHSA-N	418.107	4.865	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)C2CCC2)c(C)n1C[C@H]1CCCO1	729658018	UALJCUSSMGEEEJ-RMVKYEEYSA-N	417.553	4.849	50	20	HJGD	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NNC(=S)Nc1cccc(Cl)c1	729864091	KGQGVUYPFAGRDE-GCZGRYASSA-N	403.935	4.548	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1	731931699	NVWYJKGPCHSPTB-HSZRJFAPSA-N	409.493	4.578	50	20	HJGD	
O=C(NN=Cc1sc(N2CCCC2)nc1Cl)c1cc2c(s1)CCCCCC2	735972429	COIPGHMOVSFYLW-UHFFFAOYSA-N	423.007	4.881	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H]1CCSc2ccc(Cl)cc21	743627538	FLIVDFQKRDRABS-GOSISDBHSA-N	411.914	4.674	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c3ccncc3)c2C)cc1	743723602	WZPUEOARKRXDGM-GNFOSXPUSA-N	414.509	4.624	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl	744843463	JVIFLUAFJKFKNI-KAMYIIQDSA-N	422.828	4.593	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCC2(c3ccc(Cl)cc3)CCC2)c(Cl)c1	745801235	VRQVYHDUNMPDFX-UHFFFAOYSA-N	421.328	4.759	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cccc(O[C@H](C)C(=O)O)c3)n2)cc1	746684739	TZQWMSKXKPXYGC-NGWPFTMJSA-N	406.463	4.735	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1O	747034497	UGCSXULRHYKTGP-RIYZIHGNSA-N	403.265	4.982	50	20	HJGD	
Cc1ccc(Sc2ccc(C(=O)NNc3cccc(C#N)c3)cc2[N+](=O)[O-])cc1	748032090	FXAUKFRCZVPSCT-UHFFFAOYSA-N	404.451	4.683	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)s1	748650414	DRVPMARSTBTXFB-UHFFFAOYSA-N	418.425	4.750	50	20	HJGD	
C[C@H](C(=O)NNc1cccc2cnccc12)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	748776071	LNMJFDKQHNYOHU-HRAATJIYSA-N	420.513	4.580	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cnc2c(cnn2Cc2ccccc2)c1	752810817	VWOCQIJWGKWJBY-UHFFFAOYSA-N	412.280	4.543	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2cccs2)[nH]n1)Nc1ccc2oc3ccccc3c2c1	755367191	OJYATIUVSYNUBC-UHFFFAOYSA-N	417.450	4.504	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(C2SCCS2)c1	755534373	KGGAPLLBBANPLU-UHFFFAOYSA-N	417.600	4.534	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2ccccc2Br)c1-c1ccccc1	760458606	AQRJFYXOCOXQOT-UHFFFAOYSA-N	413.319	4.726	50	20	HJGD	
O=C(NN[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1ccc(Cl)cc1F	762640824	KLBAWCPCBGBUHK-IBGZPJMESA-N	422.847	4.553	50	20	HJGD	
O=C(NC[C@H]1CCCCS1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762678719	FXVGBYMLNYBPGF-LLVKDONJSA-N	404.426	4.684	50	20	HJGD	
C=CCN1C(=O)/C(=C\c2ccc(OCCBr)c(Cl)c2)SC1=S	763107577	JNTBRJLTSUTZFV-UKTHLTGXSA-N	418.765	4.501	50	20	HJGD	
Cc1ccc(Br)c(C(=O)NNc2ccc(Br)cc2Cl)c1	764322866	WCUDAMNHPOTPKH-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	770190205	BWZWLLZRFVOKTD-UHFFFAOYSA-N	414.824	4.756	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1	771701087	KQNRKCUXMYONGR-UHFFFAOYSA-N	408.458	4.573	50	20	HJGD	
COc1ccc([C@@H]2NC(=O)N(c3cccc(S(F)(F)(F)(F)F)c3)C2=O)cc1O	771856829	BHXUAJMLMRVKMC-AWEZNQCLSA-N	424.347	4.856	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CCCc2ccc3ccccc3c2)c1C	776231415	GQHVIGJDWACLGZ-UHFFFAOYSA-N	411.509	4.775	50	20	HJGD	
COC(=O)c1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)s1	777678718	XBANLCRTAWWQDJ-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
COc1ccccc1SCC(=O)NN=Cc1cc(Cl)cc(C(F)(F)F)c1	780237092	SFIQSTSUMAYMRE-UHFFFAOYSA-N	402.825	4.610	50	20	HJGD	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	787312238	WFDFVSDGOSNQCR-FYJGNVAPSA-N	409.445	4.697	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2sc(N3CCCC3)nc2s1	793705975	VCSFRWBLXKLXAX-UHFFFAOYSA-N	412.462	4.734	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(Cl)s2)c1C	801073879	LLBOOYDUFPRVTO-YBEGLDIGSA-N	404.919	4.953	50	20	HJGD	
C[C@H](C(=O)NNc1c(Br)cccc1Br)c1cccc(F)c1	801504445	NPSAMZQKENMEQI-VIFPVBQESA-N	416.088	4.598	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cccc(F)n3)c3cnn(C(C)C)c3n2)c(C)s1	804762969	DSMKDDVCXWAPPL-UHFFFAOYSA-N	424.505	4.649	50	20	HJGD	
COc1cc(C(=O)N(C)CC(Cl)Cl)ccc1OCc1ccc(Cl)cc1	808245930	JFDDMCPIBAAIFQ-UHFFFAOYSA-N	402.705	4.803	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](c2ccccc2)C2CC2)c(C)n1C[C@@H]1CCCO1	817089447	HFSPLGRERLESGB-GFRYGOHHSA-N	417.553	4.501	50	20	HJGD	
COc1ccccc1Nc1ccccc1C(=O)NNc1ncnc(Cl)c1C(C)C	857545533	FTHMHPDWXQZKGQ-UHFFFAOYSA-N	411.893	4.763	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc2n1	915937606	UJEZWPUOMJQKJB-UHFFFAOYSA-N	420.472	4.758	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccn(Cc3ccccc3)n2)c(C)n1CC(C)C	916508185	MYWIBVNTGIMHGB-XKZIYDEJSA-N	401.514	4.551	50	20	HJGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccccc1	916517988	CMTLGYFIDWJIFQ-SFHVURJKSA-N	405.951	4.550	50	20	HJGD	
CCCCN1C(=O)CC[C@@H](C(=O)NNc2cc(C)ccc2C)[C@H]1c1ccc(OC)cc1	917158410	DWRKWSRCXUAAGV-ZJSXRUAMSA-N	423.557	4.535	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(Cl)nc3)c2C)c1	917724075	DVKVTVCQCZXBKC-RGVLZGJSSA-N	404.901	4.674	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1	920293238	XPPUENJGNNFXKY-HMMYKYKNSA-N	412.493	4.831	50	20	HJGD	
Cc1nn(CCCl)c(C)c1-c1nnc(-c2ccc(Br)cc2Cl)o1	1118132397	SCCJAJDXHFLFQW-UHFFFAOYSA-N	416.106	4.872	50	20	HJGD	
O=C(NN=Cc1ccc(N2CCCC2)cc1)c1cc(-c2ccncc2)nc2ccccc12	1317827458	PFNCNTKHFAFGRO-UHFFFAOYSA-N	421.504	4.661	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3ccc(N)cc3Cl)cc2)cc1	1324100488	GBISUSILJZFAOC-UHFFFAOYSA-N	423.900	4.664	50	20	HJGD	
COc1c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cnn1-c1ccccc1	1325656157	ZWCLQWJYFPLFPX-UHFFFAOYSA-N	411.676	4.598	50	20	HJGD	
CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)CCBr)CCC3)cc2)CC1	1789113404	QXFOCGIUKGAXCV-INIZCTEOSA-N	419.363	4.652	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCCC3(F)F)CCC2)cc1)C(Cl)Cl	1791605581	WGWBXJCLGRQGPU-CQSZACIVSA-N	419.299	4.750	50	20	HJGD	
CC[C@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)CCl)c1ccccc1	1792881222	WNECOWOURNFVTM-JBINPLMMSA-N	419.009	4.720	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(C)cc2)[nH]n1	1820860462	LLDHSMAHRAEUHL-IEZWGBDMSA-N	416.953	4.531	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2F)CC1	1824608984	FLUJFKIDNNAUBZ-NVXWUHKLSA-N	414.974	4.528	50	20	HJGD	
CC(C)c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)cc1	1827614107	KXTLRRXHZOVGFU-IRLDBZIGSA-N	422.972	4.507	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccccc2-c2ccc(C)cc2)C1	1845442771	IGIUKRMPLPCFGN-QFIPXVFZSA-N	424.972	4.887	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccncc1)C(=O)Nc1ccccc1F	7906869	TUISXWAJLGKUCE-NBVRZTHBSA-N	409.424	4.619	50	20	HJGD	
Cc1ccc(NC(=O)[C@@H](NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1	15473733	SEABFTJGAWNWTE-KROKWJMESA-N	417.553	4.512	50	20	HJGD	
CCN1CCC[C@@H]1Cn1c(C)cc(C=NNC(=O)c2c(Cl)cccc2Cl)c1C	727779362	ZCJYAORSKMTXOV-QGZVFWFLSA-N	421.372	4.660	50	20	HJGD	
CC(C)(C)c1ccc2cc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)[nH]c2c1	727804918	TYICKUFPRRTFKL-UHFFFAOYSA-N	404.297	4.847	50	20	HJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1C	727828260	SHECJAODLRLUMS-XDHOZWIPSA-N	413.477	4.655	50	20	HJGD	
CC(C)Cc1ccc([C@H](NC(=O)NNC(=O)CC(C)(C)C)c2cccs2)cc1	728741910	UXXXTHLWCNFBSA-FQEVSTJZSA-N	401.576	4.803	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2sc3cc(C)ccc3c2Cl)cc1	729516947	LZQVVCDZCQMFHC-UHFFFAOYSA-N	419.959	4.893	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cccc(OCc2ccc(Cl)cc2)c1	730289297	KNMHOVOQYZKHPS-UHFFFAOYSA-N	403.869	4.646	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)C(C)(C)c1ccccc1	731174976	KBHQWFJRFDDXDP-UHFFFAOYSA-N	413.930	4.511	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccccc3F)no2)c1C	732830239	ZMPLOAFBWWTUJS-BFERYNQYSA-N	422.460	4.652	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1Br	739424770	KVSRSWKFIMZAKB-XFFZJAGNSA-N	406.623	4.556	50	20	HJGD	
Cc1ccccc1[C@@H]1CN(C(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)CCO1	741724698	XFIVIWHWGWLLJX-JGTYQCAFSA-N	405.542	4.576	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1	743442175	RYFSXWSUNJYVNX-PMACEKPBSA-N	400.906	4.542	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c(Cl)c1	743560281	DCLKVGWEIAHKMT-NSHDSACASA-N	414.815	4.764	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C=NNC(=O)c2ccc(C#N)cc2)c1	747053321	RHDNBFYPLXRTBQ-UHFFFAOYSA-N	423.451	4.622	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NNc1ccc(C(F)(F)F)cc1	747604749	BMKGIUXMMUMICF-UHFFFAOYSA-N	408.811	4.669	50	20	HJGD	
COCCO[C@H](C)C(=O)NN=Cc1c(Cl)cccc1Oc1c(C)ccc(C)c1C	748259792	MMNKFRHBJFRHQX-QGZVFWFLSA-N	418.921	4.559	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nc(CC)n(-c2ccccc2)n1	748669355	GHQWUGQDLPTXJV-UHFFFAOYSA-N	405.527	4.780	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1nc(-c2cccc(F)c2)no1	753006671	KKUMJONITCQWFL-SECBINFHSA-N	410.236	4.570	50	20	HJGD	
COCc1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)o1	764657585	AKTBZVOLRPOOHW-UHFFFAOYSA-N	403.413	4.544	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(Cl)c2ccccc12	765919112	NAXMQEFMVHLSRX-CQSZACIVSA-N	420.900	4.609	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(OCc3ccccc3F)CC2)c1C	768895975	UXGYHSUINHZBHC-PXLXIMEGSA-N	423.532	4.769	50	20	HJGD	
COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NNc2ccccn2)cc1	777472352	CDYVPGDHDFEBIA-VLGSPTGOSA-N	422.488	4.882	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1scnc1Br	777837227	BYADCFHJKXBLCN-UHFFFAOYSA-N	401.500	4.623	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc(Cl)n1	778779272	XIKRWGSVRZBPPM-UHFFFAOYSA-N	408.605	4.582	50	20	HJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(Br)cc1	780343106	DKNUJCZSJSEDPC-UHFFFAOYSA-N	410.293	4.616	50	20	HJGD	
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NNc1ncncc1Cl	781835547	CXSKHHCZLFGQCR-GOSISDBHSA-N	419.337	4.749	50	20	HJGD	
CCOc1ccc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1F	782120293	VILUQLDTZONUKZ-UHFFFAOYSA-N	414.440	4.599	50	20	HJGD	
CC1CCN([C@H](C)CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782980175	SXLMAZQVXVUJJB-CYBMUJFWSA-N	422.485	4.743	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cn(C)nc1C1CCCCC1	783685581	PHOLADQQMBDRAM-MHWRWJLKSA-N	412.921	4.984	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c[nH]cc1-c1ccccc1F	786621543	XYOBFXGQYARSFF-UHFFFAOYSA-N	408.311	4.505	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cnc(-c3ccc(Cl)cc3)s2)cc1	789131340	XHZFPRBDSVYTCO-XNTDXEJSSA-N	422.897	4.968	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1C(C)C	790804128	HXRGDQPZEQCQFU-UHFFFAOYSA-N	418.419	4.960	50	20	HJGD	
O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NNc1cc(Cl)cc(Cl)c1	791717944	MVFAYYKOMGEPFN-UHFFFAOYSA-N	422.293	4.531	50	20	HJGD	
O=C(NNc1ccccc1Cl)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1	793017710	HYOQQOXVMWHDIV-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
O=C(NNc1cccc(F)n1)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	806217395	GPZIJVKDMUESFC-JTQLQIEISA-N	401.294	4.655	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@H](C1CC1)C(F)(F)F	807546882	RPSVDPKADNUKDJ-SNVBAGLBSA-N	412.302	4.740	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)OCC(=O)c2ccc(C(C)C)cc2C(C)C)cc(C#N)n1C	809301880	DUGMJXOEGMFHDZ-UKWGHVSLSA-N	417.509	4.785	50	20	HJGD	
CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)c1ccc(COc2ccccc2)o1	814762211	RRRRFJZKRUCPJR-CYFREDJKSA-N	418.493	4.927	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12	829002626	ASZQLASEVLULMQ-UHFFFAOYSA-N	420.494	4.681	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)cc2)n1	916295457	WKYZPZWAFLUVQH-ANULTFPQSA-N	420.582	4.928	50	20	HJGD	
Cc1cc(OC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)ccc1[N+](=O)[O-]	917368344	OQGNIJHWZGWNJT-OAQYLSRUSA-N	403.390	4.577	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCc2ccc3ccccc3n2)c(C)n1CC(C)C	919749534	XXRAOFAUGVMHGO-HMAPJEAMSA-N	400.526	4.575	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CCN3CCCC3)cc2)c1C	919871265	JMWNIKZACPJRCN-HAVVHWLPSA-N	404.558	4.699	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cc(OC)c(OC)cc2C)c1C	921189620	MEJCOPRFQFQCDO-BKUYFWCQSA-N	423.557	4.796	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1	1116503435	ZWFWJIZPYOPZAV-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
COc1ccc(NCC(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	1328384750	QMSVRHATGIWQPB-UHFFFAOYSA-N	418.280	4.824	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccco3)CCC2)cc1	1786442440	IJZSQSNTSCVYIV-TZZQJPOUSA-N	400.906	4.834	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccnc(Cl)c3)cc2)CCC1	1787380319	UCLSJCRBABETEH-KRWDZBQOSA-N	420.340	4.890	50	20	HJGD	
C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788586575	BWZOGMWWOGHEBL-QFQMRYFISA-N	404.869	4.660	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)c(F)c1F	1788588108	FJEWFIREWFBVDW-QGZVFWFLSA-N	410.823	4.555	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CNc3ccccc3C)CCC2)cc1	1790485858	JAHKBKDXGMQEPL-IBGZPJMESA-N	413.949	4.558	50	20	HJGD	
CCCCC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](Cl)COC)cc2)CCC1	1791571732	JTZBCFKATJKHRG-APWZRJJASA-N	408.970	4.591	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)[nH]n1	1815324664	TZUFWODEZDNJGY-RDJZCZTQSA-N	408.974	4.780	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1	1830007253	KLIIFOIERWSYCI-FCHUYYIVSA-N	419.009	4.944	50	20	HJGD	
CC(C)(C)c1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)cc(C(C)(C)C)c1	1843366192	HPEKWGMDUMIKLU-GOSISDBHSA-N	422.972	4.633	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2ccccc2Oc2ccccc2)cc1	21343989	QSSHVKOUZXHWGK-UHFFFAOYSA-N	407.495	4.509	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1OC	63279049	XPTMFUDMRUBJGB-LICLKQGHSA-N	403.463	4.772	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)c1C	207074557	ROVORAAZEFAVPV-CLMUKVTESA-N	421.541	4.621	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3nc(-c4ccccc4)no3)cc2)n1	728080865	RNIQHLAFEKWUDR-UHFFFAOYSA-N	423.523	4.551	50	20	HJGD	
COC(=O)CCc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	729578992	SPGGUPOTRMDSJA-UHFFFAOYSA-N	403.482	4.536	50	20	HJGD	
CCOCc1cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)ccc1OC	730436399	KFFICGGXLQHQAB-JYRVWZFOSA-N	406.301	4.846	50	20	HJGD	
CC(C)(C)OC(=O)NC1CCC(=NNC(=O)c2cc3c(s2)CCCCCC3)CC1	731924852	LPBPYGRSJCEUQA-UHFFFAOYSA-N	419.591	4.960	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1	733910190	FJYVIECFUWLRAK-UHFFFAOYSA-N	416.890	4.968	50	20	HJGD	
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)CCCC[C@H]1CCSS1	742111825	BCFFMLVXVGDQEA-YESZJQIVSA-N	416.653	4.900	50	20	HJGD	
CN1C(=C(C#N)C(=O)CSc2ccc(Cl)c(Cl)c2)N(C)c2ccccc21	742455381	MHMSWHSTYKKVEM-UHFFFAOYSA-N	404.322	4.976	50	20	HJGD	
CC[C@H](C)C[C@H](C)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	742720395	XCJNSMUIPFYWHB-ZAODVUJUSA-N	423.948	4.965	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](C)Sc2ccccc2)c1C	742788700	VOWOOWFSJFOWET-TVPJCHETSA-N	411.571	4.516	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)N1CCC[C@@H]2CCC[C@H]21	743951772	SDPJJNRAKJAQCO-PPHDSNJXSA-N	420.884	4.636	50	20	HJGD	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNc1ccc([N+](=O)[O-])cc1	747986770	YBFXJWBYABGGSQ-BHQIHCQQSA-N	419.281	4.789	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2Cl)o1)NNc1ccc(OC(F)F)cc1	748661231	NHHMFWVZKFXDCW-UHFFFAOYSA-N	407.804	4.672	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cn1cc(C(=O)OC)c2ccccc21	748672317	CXBSENHDXYKOKR-UHFFFAOYSA-N	421.522	4.765	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccnc(Oc2ccccc2)c1	748701373	GEODVFWKRUEVEZ-UHFFFAOYSA-N	403.360	4.572	50	20	HJGD	
COc1cc(/C=C(/C#N)c2ccncn2)cc(Br)c1OCc1ccccc1	758911769	KXMXFXNOVIIEHH-MFOYZWKCSA-N	422.282	4.891	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccncc2)nc2ccccc12	761600583	ZQPWUJBNZFOWSB-UHFFFAOYSA-N	424.382	4.952	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc2c(c1)nc(O)n2C1CCCC1	763614261	DKFCUAKKGDZKPY-UHFFFAOYSA-N	405.285	4.921	50	20	HJGD	
N#C/C(=C\c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1c[nH]c2cc(F)ccc12	767717392	LRZBIRCDXXLMFV-VZUCSPMQSA-N	414.190	4.768	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	771125459	OBVKJTHZSOOHOW-UHFFFAOYSA-N	404.445	4.928	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)c1ccc(C#N)c(Cl)c1	774149735	OGZPMVFVPIQLSI-OVEPSTSESA-N	424.932	4.798	50	20	HJGD	
COc1c(Br)cccc1C=NNC(=O)c1ccc(Cl)cc1Cl	774343372	RTRXXZHSUBOKQL-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	777785330	PEFPMNKUOIJCGF-UHFFFAOYSA-N	407.368	4.824	50	20	HJGD	
COc1ccc(C=O)cc1OS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777843724	CKNXRSYBCRKNPX-UHFFFAOYSA-N	418.361	4.933	50	20	HJGD	
C[C@]1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO[C@H]1C1CC1	778071682	IFDBSTWHRZDFSJ-LSDHHAIUSA-N	421.453	4.828	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2ccccc2)ccc1-c1ccc(Br)cc1	778692725	FDGZTOGVQUISRY-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1	779280488	FRMVHNDGFBVVMQ-NHYWBVRUSA-N	404.732	4.503	50	20	HJGD	
C[C@@H](C#N)Oc1ccccc1NC(=O)NNc1ccc(Br)cc1Cl	780671798	VIBFZKYHXRORRX-JTQLQIEISA-N	409.671	4.542	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12	781029791	FJZQTUYMTCZFKK-UHFFFAOYSA-N	417.774	4.509	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1	781553552	ATYBOEKQAUHVBS-XDHOZWIPSA-N	406.438	4.849	50	20	HJGD	
O=C(NNc1nccc2sccc12)C1(Cc2ccc(OC(F)(F)F)cc2)CC1	784782239	SWMDGLRAKNNMHC-UHFFFAOYSA-N	407.417	4.661	50	20	HJGD	
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NNc1ccc(Cl)cc1Cl	786411981	NYBQEDQFFBENAP-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc(Cl)c1OC	787151753	QWVBHTDDYHHMAD-XGHPXPSOSA-N	414.889	4.540	50	20	HJGD	
Cc1cc(C(=O)NNc2nnc(-c3ccccn3)s2)sc1-c1ccc(F)cc1	788566502	BYSJZKSWKZQMHD-UHFFFAOYSA-N	411.487	4.533	50	20	HJGD	
CCc1cccc(Cl)c1C=NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1	788700529	OZMXZMFQLPPETJ-UHFFFAOYSA-N	417.896	4.970	50	20	HJGD	
COc1cc(NNC(=O)COc2ccc(C3SCCCS3)cc2)ccc1Cl	790174379	IJVMWIGPMCFGAW-UHFFFAOYSA-N	424.975	4.739	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(C(F)(F)F)cnc1Cl	790971734	KBTDNFXVGCHKJQ-UHFFFAOYSA-N	402.562	4.957	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccccc3C)no2)c1C	799414552	QQXQPKRRQKGBDW-UNOMPAQXSA-N	404.470	4.524	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(F)c1I	812766318	DVDRCWAUJYESFW-UHFFFAOYSA-N	412.246	4.619	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1	815844134	ALLAFSQTKOBPAL-GVARAGBVSA-N	410.408	4.787	50	20	HJGD	
CC(C)Oc1cccc([C@H](C)NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1	916488682	GKUBJEQCIMPUKW-HNNXBMFYSA-N	415.559	4.509	50	20	HJGD	
CCN(CC)C1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)CC1	1327150316	HFLRLKNLRAXSLO-HAVVHWLPSA-N	418.585	4.642	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccco3)CCC2)cc1	1786446607	MLLZDKLNNPMZLH-OXJNMPFZSA-N	416.949	5.000	50	20	HJGD	
CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)CC1	1789648069	JHZUUXPXJNUMMN-GOSISDBHSA-N	414.622	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCC3(F)F)CCC2)cc1	1790487683	JWNORLBBJRLKRQ-SJORKVTESA-N	412.908	4.963	50	20	HJGD	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1823751008	HFIJQVCQSKFFIW-IBGZPJMESA-N	411.030	4.864	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2F)CC1	1824618003	LIZRDXDPMRGORQ-UYAOXDASSA-N	422.972	4.775	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)cc2)CC1	1830312093	GHDNRIATKATJJV-YADHBBJMSA-N	419.009	4.565	50	20	HJGD	
N#C/C(=C\c1cccc(Br)c1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	6210197	ZPBIXPPKPIQHKI-XYOKQWHBSA-N	412.312	4.690	50	20	HJGD	
Cc1ccoc1C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	26984852	DPVSVUSIMCSJDB-UHFFFAOYSA-N	400.887	4.609	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1O	59474943	SNRMHTGDKWOUJA-OVCLIPMQSA-N	415.287	4.716	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2c(C)cc(C)c(C(C)=O)c2C)c1C	206919357	CXJNQVPKLSJROY-UUYOSTAYSA-N	422.525	4.530	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNc1ccnc2cc(Cl)ccc12	725899802	JOPFHLOJUZZHRJ-UHFFFAOYSA-N	409.852	4.587	50	20	HJGD	
N#CCCCOc1cccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3nc2Cl)c1	726742211	MKUMDCITLAOKMS-FOWTUZBSSA-N	417.856	4.511	50	20	HJGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	729623714	LTEUWGKREWWDGT-UZUQRXQVSA-N	417.509	4.551	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3cc(F)c(F)cc3F)s2)cc1	734552920	XLBVLNKZAMIRPD-UHFFFAOYSA-N	407.417	4.691	50	20	HJGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)S[C@H](c1ccccc1)c1ccc(Cl)cc1	734980028	GSOGQJZAAZEOPI-FOIQADDNSA-N	404.963	4.745	50	20	HJGD	
COc1ccccc1-c1noc([C@H](C)NC(=O)CCCC[C@H]2CCSS2)n1	742920935	KROQQLYMYHYMSA-KBPBESRZSA-N	407.561	4.637	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCc2nc3ccccc3n2CC)c1C	744092869	BKKWZYSUYHRRKD-LTGZKZEYSA-N	417.557	4.541	50	20	HJGD	
N#C/C(=C\c1cccc(OCCC(=O)O)c1)c1nc(-c2ccc(C#N)cc2)cs1	746684524	RTMNKDKQOQGLSJ-VCHYOVAHSA-N	401.447	4.599	50	20	HJGD	
O=C(CCOc1ccccc1)NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	747051376	PMWSKRNJECCACB-UHFFFAOYSA-N	419.428	4.748	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(-c2cccc(Cl)c2)on1	748184278	IRRAGMMFOJKUGY-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCCN(C(=O)[C@H](C)CC)C1	748673115	XBIKJPPGYFBLIB-CRAIPNDOSA-N	401.576	4.608	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cccc1[N+](=O)[O-]	748693395	MCEXJJGMKCTKTF-UHFFFAOYSA-N	401.344	4.744	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3	748694794	VCMJMFZISIMOSL-UHFFFAOYSA-N	403.404	4.745	50	20	HJGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CCC[C@@H]1c1nc2ccccc2s1	750855168	LIWIPBISCXQOIU-GOSISDBHSA-N	420.987	4.994	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2cccc(SC(=O)N(C)C)c2)cc1	752533796	GOCGDKANZARAOU-PDGQHHTCSA-N	410.495	4.509	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1sccc1Br	753167601	ARVIPGIZWVBOMQ-UHFFFAOYSA-N	404.127	4.592	50	20	HJGD	
CCc1ccc(C(=O)Nc2sccc2C(=O)NNc2ccc(C#N)c(Cl)c2)cc1	753316081	MCSQCBKHYHJKDG-UHFFFAOYSA-N	424.913	4.845	50	20	HJGD	
Cc1ccccc1-c1cc(C(=O)NNc2cccnc2Cl)c2cnn(C(C)C)c2n1	754487990	MGNODKZSEQJXSQ-UHFFFAOYSA-N	420.904	4.793	50	20	HJGD	
C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)CCCC[C@@H]1CCSS1	761247938	FDOYKLLKWPOGES-QWFCFKBJSA-N	406.661	4.973	50	20	HJGD	
Cc1nc(C)n(-c2ccccc2NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)n1	764319189	SXGCQCGIHTYMFA-MTJSOVHGSA-N	416.529	4.504	50	20	HJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1nc(-c2ccccn2)nc(C)c1C	764460959	FDHWYLNDLUAYHV-UHFFFAOYSA-N	413.934	4.678	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@@H]1CCCc2c[nH]nc21	765872370	PVLUMLRSBVCBCT-BXUZGUMPSA-N	404.845	4.828	50	20	HJGD	
CCC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)c1cc2ccccc2cc1O	766682381	NYTVCMDQGANWFL-UHFFFAOYSA-N	409.467	4.742	50	20	HJGD	
O=C(NNc1ccccn1)c1ccccc1SCc1ccc(Br)cc1	777471039	BJSDOOSKEFCVOD-UHFFFAOYSA-N	414.328	4.893	50	20	HJGD	
Cc1nc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)sc1C	777982805	DAQQJHOVNYTOAC-UHFFFAOYSA-N	408.439	4.896	50	20	HJGD	
O=C(Nc1cc(C(F)(F)F)ccc1F)C(=O)NN(c1ccccc1)c1ccccc1	782822217	ZDNXPRKAAGTBIN-UHFFFAOYSA-N	417.362	4.653	50	20	HJGD	
COc1ccccc1CCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782980808	RMYLLUQFLXQEII-UHFFFAOYSA-N	417.421	4.874	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)c(F)c2)cc1	787153852	GJILGCKILUCOJC-WFSQQTBHSA-N	422.378	4.560	50	20	HJGD	
Cc1ccc(F)c(C(=O)NNc2ccccc2OC(F)(F)F)c1Br	787538660	MYTVXKVAAWALTA-UHFFFAOYSA-N	407.161	4.552	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c(OCc2ccccc2)c1	787570275	LZQGHXFOGZJRRB-UYRXBGFRSA-N	400.434	4.525	50	20	HJGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	788977002	GMCPUDMHPCVMOG-GFCCVEGCSA-N	403.866	4.520	50	20	HJGD	
COc1cc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1Cl	790178814	CASVBMCMOUTFGH-UHFFFAOYSA-N	418.884	4.958	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC(Cn3cncn3)CC2)cc1	792880753	URBUTKRAONFQPP-UHFFFAOYSA-N	400.643	4.712	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3nc4ccccc4cc3C)s2)c(F)c1	800529928	FCFOQPYSOZQIBQ-UHFFFAOYSA-N	422.485	4.880	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2csc(-c3ccncc3)n2)c(C)n1CC(C)C	802581111	OTVVSMZEFRWQEO-GRSHGNNSSA-N	405.527	4.825	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2c(F)cncc2F)c(C)n1CCC(C)C	804826948	FMEJEAWRDFKZOQ-UPAIAECRSA-N	400.473	4.609	50	20	HJGD	
O=C(NC[C@H]1CCCCC(F)(F)C1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	813760741	CDHCFJHEPUBSLC-INIZCTEOSA-N	416.472	4.905	50	20	HJGD	
COc1ccc(C(=O)NN=C2CC[C@H](Cc3ccccc3)C2)cc1Br	814846475	SGUGBDSJWINEBL-OAHLLOKOSA-N	401.304	4.586	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCN(c2ccnc3ccccc23)CC1	816562799	ZGHCJOJWTYWUKZ-QGZVFWFLSA-N	401.601	4.598	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	817008382	QESFLAKBPPNFEV-UHFFFAOYSA-N	409.902	4.661	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NNc3cccc(Cl)n3)cc12	817011159	HXLPZAPLQTYWLI-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
CO[C@H](C)C(=O)Nc1ccc(Br)cc1CO[Si](C)(C)C(C)(C)C	821634699	RSWVNMVPHBMBQT-GFCCVEGCSA-N	402.405	4.944	50	20	HJGD	
O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1c(Cl)cccc1Cl	864018614	MDKVFCXHKIOITF-UHFFFAOYSA-N	415.276	4.500	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2C(F)(F)F)c1C	914475027	XTIIIHBNKDIDKZ-HNIBHBHRSA-N	419.447	4.555	50	20	HJGD	
CCCCn1nc(C)c(C=NNC(=O)COc2cc(C)ccc2C(C)C)c1Cl	915905350	NMPHYONAMTWVMH-UHFFFAOYSA-N	404.942	4.606	50	20	HJGD	
COc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3ccc(Cl)cc3)s2)cc1	917022513	FOXBUHBNQPAAAB-UHFFFAOYSA-N	421.309	4.966	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OCCCC#N)c2)c(C)n1CC(C)C	917726745	OHIPAZNFTKYJEG-FYJGNVAPSA-N	404.514	4.989	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1	920298425	LYPMPTHUUDZTHH-GYZOOYGHSA-N	418.415	4.811	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1ccc(C(C)(C)C)nn1	1322543103	RZRYREJWUUCZOY-UHFFFAOYSA-N	420.300	4.801	50	20	HJGD	
Cc1c([C@H](C)NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cnn1C	1322871645	JHMZOMZWMZHJDE-XPTSAGLGSA-N	406.861	4.831	50	20	HJGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	1338909338	KMKSVNNDGXBMCY-NJZAAPMLSA-N	409.905	4.900	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1	1786065401	HAIWRNIXAAIAPX-HZPDHXFCSA-N	419.363	4.508	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ncc(C)s3)CCC2)cc1	1786443659	GHHDXGAZQPMQPQ-MRXNPFEDSA-N	405.951	4.607	50	20	HJGD	
C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H](Cl)CCC)cc2)CCC1)C(F)(F)F	1786446933	SCVYRXMJXLZBLT-HNNXBMFYSA-N	402.844	4.647	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC1	1790294223	GGCVSRIJWHQABU-FQEVSTJZSA-N	423.315	4.810	50	20	HJGD	
CC1(C)CC(C(=O)NC2(c3ccc(NC(=O)[C@](C)(Cl)CCl)cc3)CCC2)C1	1790493675	FRBJUXCJDFJOLE-HXUWFJFHSA-N	411.373	4.793	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C)cc3C)CC2)C1	1806163843	ZFLQCMHSWCOEPR-FQEVSTJZSA-N	404.982	4.556	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	1831475973	RHMXJDWZCSODIX-BVOGOJNSSA-N	423.041	4.697	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2OC(F)(F)F)c1C	24713066	IEFRMBIUSQOLQD-NGWPFTMJSA-N	421.419	4.757	50	20	HJGD	
O=C(NNC(=O)c1occc1-c1ccccc1)c1ccc(-c2ccc(F)cc2)s1	28666905	APHNRCREJAVNPP-UHFFFAOYSA-N	406.438	4.889	50	20	HJGD	
C[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)NNc3ncccn3)c2C1	46577148	XYNMVJREMSKASA-PJCCXHTNSA-N	421.504	4.905	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CC2	195564666	ZNPRYSRTNMUWEN-BMRADRMJSA-N	415.493	4.891	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](O)c2cccc(F)c2)c(C)n1C1CCCCC1	725892453	SNFZFFGGUGFTRI-MTCPJELPSA-N	409.505	4.506	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)c1sc2cccc(Cl)c2c1Cl	727716519	MKNWJVUNTOUXRS-UHFFFAOYSA-N	407.322	4.992	50	20	HJGD	
CCCCOc1cc(C=NNC(=O)c2cc(F)ccc2Br)ccc1OC	728435662	COVGXNBDAZWXAB-UHFFFAOYSA-N	423.282	4.540	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cocn2)c(C)n1-c1cc(Cl)ccc1Cl	730763505	MOVGLAVJNSIBMK-UUASQNMZSA-N	415.280	4.612	50	20	HJGD	
CCc1cc(NNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)nc(-c2ccccn2)n1	738531045	SKWGRSGLOZXLMQ-LEWJYISDSA-N	409.493	4.501	50	20	HJGD	
O=C(Nc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1)OCC(F)(F)F	743299872	VTSXWEHSMCNZDX-UHFFFAOYSA-N	421.297	4.573	50	20	HJGD	
CSCc1c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)oc2ccccc12	746893107	FXXGCFNRFAJXTQ-UHFFFAOYSA-N	405.401	4.943	50	20	HJGD	
N#Cc1cccc(OCc2cccc(C(=O)NNc3ccc(C(F)(F)F)cc3)c2)c1	747609498	WXWBVHLFAZZWLX-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)ccc1NC(=O)CC(C)C	748694525	NVVNDDXMFMZPFA-UHFFFAOYSA-N	423.435	4.678	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(CN(C)C)ccn2)c(C)n1C1CCCCC1	748742350	DVCAABMMPFEQSI-KGENOOAVSA-N	405.546	4.612	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1nc(NCc2ccco2)ncc1Cl	757433067	AMHPQEHZKXDPGW-UHFFFAOYSA-N	424.800	4.616	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2ncc(C3CCCCC3)s2)c2ccccc2n1	757992492	AGPLIRUTFBAYOD-UHFFFAOYSA-N	409.515	4.514	50	20	HJGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@H]1C	758098290	CCNHFBIQXNEDES-DYVFJYSZSA-N	402.491	4.639	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1nc(C(C)C)n2ccccc12	762604143	MRNDJABXCNEDJI-XNTDXEJSSA-N	408.889	4.974	50	20	HJGD	
O=S(=O)(NC[C@@H]1CCCCN1C1CC1)c1ccc(S(F)(F)(F)(F)F)cc1	766206924	JINBMRDIRRTOJG-ZDUSSCGKSA-N	420.469	4.639	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)[C@H](Sc1ccc(F)cc1)c1ccccc1	766675743	VLVPCYUXBRDTJR-QGZVFWFLSA-N	410.499	4.807	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)OCC(=O)Nc1ccccc1Cc1ccccc1	766751600	MGNXAICNWAYCBA-IBGZPJMESA-N	418.331	4.569	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(-n2cnc3ccccc32)nc1	768549604	SZXRMLKJDMIQMG-UHFFFAOYSA-N	416.243	4.623	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1cccc(-c2noc(C3CC3)n2)c1	770068781	YMYGSPYJCXWSEH-UHFFFAOYSA-N	403.364	4.781	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	770812391	RFRABXCDEHWUFK-UHFFFAOYSA-N	411.824	4.976	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc(OC)c1OC	773145418	RVMDQXOCUASTIM-AWNIVKPZSA-N	409.335	4.660	50	20	HJGD	
Cc1ccc(CN(C)C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)nc1	773729581	FXRMQHMWACQMLY-UHFFFAOYSA-N	409.380	4.645	50	20	HJGD	
COc1ccc(-n2c(C)cc(C(=O)NNc3ncc(Cl)cc3Cl)c2C)cc1	775273813	UIEBHEIRBUFJKA-UHFFFAOYSA-N	405.285	4.561	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(OC(F)F)cc(OC(F)F)c1	777482614	MULXBOCGEZLDIT-UHFFFAOYSA-N	409.339	4.503	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccccc2OC(F)(F)F)cnn1-c1ccc(F)cc1	779209708	PZSYTMMKHRQRGZ-UHFFFAOYSA-N	422.382	4.790	50	20	HJGD	
CC(C)n1cnnc1-c1ccccc1NC(=O)NNc1ccccc1OC(F)(F)F	779439226	WCFNVZBCAFSFFZ-UHFFFAOYSA-N	420.395	4.573	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ccc(-c2cccc(C#N)c2)cc1	782753076	DJPHBZYDUJCCDG-HNNXBMFYSA-N	418.884	4.584	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)C(=O)NNc3cc(Cl)ccc3Cl)cc2)cs1	783368880	BGLCWUHQTPSPBV-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
COc1cccc(Cn2ccc3ccc(NC(=O)/C(C#N)=C/c4ccc(O)cc4)cc32)c1	787483785	SZCLMOKHAMUBOF-FYJGNVAPSA-N	423.472	4.949	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)ccc1Cl	788583912	XSUKLWBLEDAGTR-UHFFFAOYSA-N	414.849	4.651	50	20	HJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)Nc3ccccc3C(F)(F)F)sc2c1	788686755	BICQFYBEAJGJJM-DHZHZOJOSA-N	403.385	4.869	50	20	HJGD	
COc1cc(NNC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)ccc1Cl	790179565	WENIWIQADHRUIO-UHFFFAOYSA-N	409.845	4.816	50	20	HJGD	
CCc1ccnc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	798063654	XEQBBWXDFUOCND-UHFFFAOYSA-N	409.380	4.556	50	20	HJGD	
CCC[C@@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1cccc(C(F)(F)F)c1	806687504	MIKYSRUERNEVLC-GOSISDBHSA-N	418.419	4.714	50	20	HJGD	
Cc1cc(NNC(=O)c2c(F)cc(C(F)(F)F)cc2F)ccc1Br	810406252	ZOYIGMUABOOELJ-UHFFFAOYSA-N	409.152	4.811	50	20	HJGD	
CCSc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	814143579	DEXVFWGFCXHHQW-YRUATGHUSA-N	423.582	4.619	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1	913627961	JPOCUOCMYPPOOG-NRFANRHFSA-N	407.539	4.914	50	20	HJGD	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1	914472158	LJQDPMQJDGYQGS-OMNSNBSWSA-N	409.493	4.557	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)cc(Cl)c1O	915990335	NDJYOOAUKPYZDH-GHXNOFRVSA-N	421.678	4.752	50	20	HJGD	
N#C/C(=C\c1ccc(Br)cc1F)C(=O)Nc1ccccc1Br	915990391	RUJAYLHAULQCGL-YRNVUSSQSA-N	424.067	4.896	50	20	HJGD	
COc1ccc(NC(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)cc2)cc1	916646808	OUMPDRDYUPGZGB-NBVRZTHBSA-N	415.424	4.632	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1C	921015033	YXQLRWSDZPNWHW-CEZZIEKDSA-N	407.558	4.531	50	20	HJGD	
CCCNC(=O)NNC(=O)c1cc(-c2ccc([C@@H](C)CC)cc2)nc2ccccc12	921042449	VMNOAAOJMCWQTN-INIZCTEOSA-N	404.514	4.769	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)n1	1322530197	OUXNULBHHZCWML-UHFFFAOYSA-N	415.252	4.631	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1ccc(F)cc1F	1790333990	WXMURGDNFQQIGB-UHFFFAOYSA-N	413.251	4.516	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OC	7158488	OEXVQOSAECOVBD-OQLLNIDSSA-N	415.287	4.711	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3c(s2)CCCCC3)c1C	207136405	JKJTZIBYUWJJRY-CLXYIWAZSA-N	412.559	4.583	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CCC(=O)OC)cc2)c1C	729415383	CSACPFPTSUQYSE-QNGOZBTKSA-N	407.514	4.556	50	20	HJGD	
CC(C)(C)n1cc(C=NNC(=O)c2cccc(C#N)c2)c(-c2ccccc2Cl)n1	731153689	YRUIBVLBTVOVMU-UHFFFAOYSA-N	405.889	4.594	50	20	HJGD	
CC(C)(C(=O)NNC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1	731222454	QHCPDGLEDBZNMO-NRFANRHFSA-N	421.928	4.738	50	20	HJGD	
CC(C)(CNC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1Cl	733339826	RAJOLZTTZQETDD-UHFFFAOYSA-N	413.880	4.554	50	20	HJGD	
COc1cc([C@H](C)NC(=O)NNc2cc(F)c(F)cc2F)ccc1OCC(C)C	734662170	WDUYUPRAXGXELN-LBPRGKRZSA-N	411.424	4.535	50	20	HJGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NNc1cccc(C(F)(F)F)n1	740137698	GHZLEJZVNYRENG-UHFFFAOYSA-N	422.432	4.754	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCO[C@@H](C(F)(F)F)C1	740434362	GQTUPCRTSSXNIC-MNOVXSKESA-N	422.778	4.701	50	20	HJGD	
COc1ccc(Cl)c(NC(=O)NNC(=S)Nc2c(C)cc(C)cc2Cl)c1	741861046	DJNCSVBCGUIBNH-UHFFFAOYSA-N	413.330	4.642	50	20	HJGD	
O=C(NNc1cccnn1)c1cccc(CSc2c(Cl)cccc2Cl)c1	743461775	MMCDRDGRLXZZKP-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCSCc1cccc2ccccc12	746158270	CYJSJXKIVLFWFE-UHFFFAOYSA-N	401.963	4.555	50	20	HJGD	
O=C(CCSc1ccc(Br)cc1)NNc1cccc2cnccc12	748767179	MKHUSBYFWMQCID-UHFFFAOYSA-N	402.317	4.623	50	20	HJGD	
O=C(CCc1ccccc1)NN=Cc1cn(Cc2ccccc2)nc1-c1cccs1	749747320	CDMDNBYHDXLWCC-UHFFFAOYSA-N	414.534	4.743	50	20	HJGD	
CC(C)n1ncc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1-c1ccccc1	754174257	RCUBFFQUKZITKK-UHFFFAOYSA-N	417.296	4.513	50	20	HJGD	
O=C(NN=Cc1c(C2CC2)nc2sccn12)c1ccc(-c2ccc(F)cc2)s1	755598212	GXLHCYFVSCYEOF-UHFFFAOYSA-N	410.499	4.905	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ncccc3C(F)(F)F)cc2)cc1	760590528	PCYBNMCGNWVQSK-UHFFFAOYSA-N	415.371	4.852	50	20	HJGD	
CCOCCC1(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CCCC1	760813007	RXVBQHXNJAVUDZ-UHFFFAOYSA-N	424.545	4.676	50	20	HJGD	
CSc1cc(C(=O)NNc2ccc(Br)nc2)c(Cl)cc1Cl	761571885	DAIXEKMIDMFJBE-UHFFFAOYSA-N	407.120	4.630	50	20	HJGD	
Cc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1NC(=O)NC(C)(C)C	763616113	UUAGUIWJLNVCTH-UHFFFAOYSA-N	409.317	4.979	50	20	HJGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	766444073	YMAJJLNNYWGMBB-CABCVRRESA-N	415.361	4.910	50	20	HJGD	
Cc1ccc(Cc2cnc(NC(=O)NNc3nccnc3C(C)C)s2)cc1Cl	770095675	BQIOIYGCHRCQNG-UHFFFAOYSA-N	416.938	4.758	50	20	HJGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	773146358	XBCHESYMBLIUFG-DGGAMASNSA-N	421.346	4.575	50	20	HJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1Br	774133691	GOKKGSREOIWXIS-BJMVGYQFSA-N	408.595	4.983	50	20	HJGD	
O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NNc1ccc2ccccc2n1	777460795	XWAJXRTWLJVQAW-UHFFFAOYSA-N	423.542	4.504	50	20	HJGD	
CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C12CCC2	782979619	IYRFQSYXBCVUKX-KBPBESRZSA-N	421.453	4.970	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(Cl)c2)cc1	787155492	QYFCRORLPDRFLX-CDCQXCROSA-N	406.816	4.734	50	20	HJGD	
Cc1ccc([C@H](NC(=O)NNc2ccccc2C(F)(F)F)c2ccccn2)cc1	792289187	NMHUKHBIRMLGDF-IBGZPJMESA-N	400.404	4.825	50	20	HJGD	
C[C@@H]1CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C[C@@]2(CCO[C@@H]2C)O1	792880572	GOCQHMWWBPSSHD-DNVFCKCGSA-N	405.655	4.977	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[C@@H]1CCCOC1	794881882	FBTQTMPHRQZPDO-VGVSSDJJSA-N	412.829	4.943	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c(Cl)c1	797110171	WUSWFQWJTLRCAZ-GZTJUZNOSA-N	406.873	4.697	50	20	HJGD	
CCCCCNC(=O)/C(C#N)=C\c1csc(-c2cccc(Br)c2)n1	797344202	FLYMNIAMEPUQPA-UVTDQMKNSA-N	404.333	4.786	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1C	797567567	JYWGLTXVTZLLMY-LICWHBFXSA-N	424.570	4.850	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H]2CCOc3cccc(C)c32)c1C	814032860	FMWJWZTXVYTRAY-SYMVZZDZSA-N	408.498	4.595	50	20	HJGD	
C[C@]12CCN(C(=O)C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)C[C@@H]1C2(F)F	815658474	CRCVXDCBDSMBQX-FZMZJTMJSA-N	420.350	4.786	50	20	HJGD	
COc1ccc(NNC(=O)c2csc(Cc3ccccc3)n2)c(C(F)(F)F)c1	816703593	LCZQSSWPTFYCCA-UHFFFAOYSA-N	407.417	4.518	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc(Cl)c1F	817015109	LUKNJKSBXXKSAT-UHFFFAOYSA-N	401.669	4.669	50	20	HJGD	
CCCN(CCC)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	913008904	XAUYYXGDRNADSE-JXAWBTAJSA-N	409.921	4.673	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cnc3ccccc3c2)c(-c2ccccc2)n1	914467702	PCSZLIUNMLWEAI-DEDYPNTBSA-N	418.460	4.558	50	20	HJGD	
Cc1cc(C)c(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c(C)c1	914482270	PEQQWXPQIWGTSR-HMAPJEAMSA-N	423.520	4.612	50	20	HJGD	
CCCCOc1ccc(C(=O)NNC(=S)Nc2ccc3ccccc3c2)cc1OC	915995900	HGDLFDYPULCHDR-UHFFFAOYSA-N	423.538	4.659	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1	918212113	RASYVPJMABMRBG-UHFFFAOYSA-N	421.522	4.507	50	20	HJGD	
Cc1cc(NS(=O)(=O)c2ccc(CCCl)cc2)ccc1Oc1cccnc1	919961304	ADAMMMVJYSCLPL-UHFFFAOYSA-N	402.903	4.764	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccsc3)cc2)CCC1	1786943926	CSJKDQABFNWOTF-CHHNCHTKSA-N	402.947	4.913	50	20	HJGD	
CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl	1800010067	FLGUVPLGZUISLN-ACDBMABISA-N	424.029	4.924	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C)c2F)[nH]n1	1815314480	PPMCYRSYEVQXHQ-DOTOQJQBSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1	1827982436	RJEJJRVYNBAHEV-HOTGVXAUSA-N	415.361	4.574	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cc(F)ccc2Br)cc1	14852107	VDIVHEKQXHYRCU-UHFFFAOYSA-N	424.339	4.562	50	20	HJGD	
COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CCCC[C@H]1CCSS1	22218835	ZOUKTQMZMWWZEA-JSGCOSHPSA-N	417.980	4.933	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ncc(-c3ccc(F)cc3)o2)c1C	26462457	ALLLXCBTYAWVKV-YBFXNURJSA-N	407.445	4.959	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)ccc1C(N)=O	261384029	DFQNMRWBGKOTGV-UYRXBGFRSA-N	404.514	4.563	50	20	HJGD	
C#Cc1cccc(N(C(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)C(C)C)c1	728247417	DDRKCPWGDPNBTQ-IXOWOOARSA-N	403.526	4.642	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc2ncccc12	730145730	MOFQTUIVKVEWHN-UHFFFAOYSA-N	420.812	4.820	50	20	HJGD	
CC(C)(C)n1cc(C=NNC(=O)Cc2ccccc2F)c(-c2ccccc2Cl)n1	731320055	GULYBILSMAIOFD-UHFFFAOYSA-N	412.896	4.790	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCc2ccc(F)cc2)c(C)n1C[C@@H]1CCCO1	735604886	NMUHPOYEKRFJCM-CVGPFBNFSA-N	410.489	4.506	50	20	HJGD	
C[C@H](Sc1ncccc1Br)C(=O)/C(C#N)=C1/Nc2ccccc2S1	735981397	JASWHUVMPPVKFB-WSJCWXPMSA-N	418.341	4.847	50	20	HJGD	
COc1ccccc1-c1ccc([C@H](C)NC(=O)c2c(C)nn(CCCl)c2C)cc1	741639315	FJZREXRHLWADHA-HNNXBMFYSA-N	411.933	4.905	50	20	HJGD	
CC(C)(C(=O)NNc1c(F)cc(F)cc1Br)c1ccc(Cl)cc1	741981820	XYDYNBBXXYYLEC-UHFFFAOYSA-N	403.654	4.802	50	20	HJGD	
COC(=O)C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1cccc(Cl)c1	743795793	QIPOLMZDSDALPJ-JKSUJKDBSA-N	401.981	4.775	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3nnc(CC)o3)cc2)c1C	743806824	ZHRLIFCPEDMTPV-CPNJWEJPSA-N	403.486	4.673	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1C	743822140	GANIGGJPHXOLMN-IRXDYDNUSA-N	408.354	4.732	50	20	HJGD	
CS[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1N(C)C	752976099	DDNWGVKSMFLLLO-CHWSQXEVSA-N	405.458	4.853	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1-c1ccccc1	754254182	QSWHBYVQSRETML-UHFFFAOYSA-N	418.419	4.961	50	20	HJGD	
COc1cc(NC2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)cc(OC)c1	754418512	UQNHFGPDKKMBSN-HXUWFJFHSA-N	424.632	4.821	50	20	HJGD	
Cc1ccnc(NNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1	755844056	MZGZHUSCCSDYBM-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)N(CC(F)(F)F)C1CC1	758434728	UGPADSCRSDLRKZ-RVDMUPIBSA-N	416.447	4.630	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc(Cl)c(C)c3)cc2)cc1	759201290	GUXBBALBAGYJJP-UHFFFAOYSA-N	414.914	4.547	50	20	HJGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)C1(C)C	759863371	OPVFMRQSYVRDGZ-PWSUYJOCSA-N	421.257	4.552	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC=C(C#N)CC2)c(C)n1-c1cccc2ccccc12	760002609	AETSZNCZJSBYEV-HZHRSRAPSA-N	406.489	4.837	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(CNC(=O)C2CCCC2)cc1	763617803	RJRRJHAVQSJFTD-UHFFFAOYSA-N	406.313	4.557	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	775262157	ZPPSHYQKVVQQHR-ZIAGYGMSSA-N	418.444	4.903	50	20	HJGD	
COc1cc(C(=O)NNc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl	777471452	JRTOZRDOBUMWTM-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
CC(C)[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F	785362169	COIOZZALGDRXEC-APEZIOSESA-N	416.399	4.819	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	788148423	QJXMBYCXJUJXPY-UXHICEINSA-N	421.428	4.560	50	20	HJGD	
CN(CCN1CCOC(C)(C)C1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	788670453	VUNNGCDCLWXNQS-UHFFFAOYSA-N	417.444	4.919	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1nc(-c2cccc(F)c2)no1	790408248	XEGSJYTWYICXGQ-SECBINFHSA-N	410.236	4.570	50	20	HJGD	
O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792547653	PSSPXEOTOWGNRF-UHFFFAOYSA-N	405.348	4.693	50	20	HJGD	
O=C(NN=Cc1ccc(-c2nc3ccccc3s2)o1)c1cc(-c2ccccc2)on1	794779431	KFSBBYPBYAFFCV-UHFFFAOYSA-N	414.446	4.975	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	797094506	FKQBACUCXYXCAS-NVMNQCDNSA-N	418.305	4.577	50	20	HJGD	
Cc1nc([C@@H](NCc2ccc(OCCCCl)cc2)c2ccc(Cl)cc2)no1	811485941	GMSPMPIYNXCKCW-IBGZPJMESA-N	406.313	4.918	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813495296	WBJWDHYDHYJCLG-UHFFFAOYSA-N	424.162	4.600	50	20	HJGD	
O=C(NN=C1CCC(c2ccc(O)cc2)CC1)c1cc(F)ccc1Br	814836051	HAUVNJSWWJGHDK-UHFFFAOYSA-N	405.267	4.737	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1nccs1	915851529	OUTOCJRQNDWAHJ-VBKFSLOCSA-N	415.453	4.681	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	917213420	JHNZRYGEUMIYQV-UHFFFAOYSA-N	406.826	4.576	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=O)c2cccc(Cl)c2)cs1	917538692	MBZJPMSXWPQSPP-UHFFFAOYSA-N	412.902	4.553	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(COCc3ccco3)c2)cc1	918623612	SFQTZXITUFBQLW-DEDYPNTBSA-N	402.450	4.941	50	20	HJGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	918690223	NRHLXEANVCFFCO-UHFFFAOYSA-N	402.372	4.629	50	20	HJGD	
COc1ccc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	920169832	LXDXVGXXOSXPBA-PXEGXHCHSA-N	408.498	4.504	50	20	HJGD	
C[C@H]1CCCN(Cc2csc(NC(=O)NNc3ccccc3C(F)(F)F)n2)C1	920929007	YPIIWBPVTWOIEO-LBPRGKRZSA-N	413.469	4.542	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCC(F)(F)F)cc2)CCC1	1787868684	FTXWHNIFWAFVSX-HNNXBMFYSA-N	404.860	4.871	50	20	HJGD	
Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c1F	1824009080	NVKIRGBQLUGUBG-LJQANCHMSA-N	422.972	4.632	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828408678	NUNQULXTCQZZAW-RTBURBONSA-N	414.993	4.686	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CC)c2ccccc2)CC1	1830305505	RPLZPNDXTDFAHI-FSSWDIPSSA-N	419.009	4.817	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)C(=O)c3ccccc3)cs2)cc1	7155939	ZJKWEZVGHGSCSA-SFQUDFHCSA-N	403.463	4.626	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)ccc1O	7210364	RMHCFRPFQKDAPY-RQZCQDPDSA-N	419.506	4.995	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1cccc2cccnc12)[C@@H](C)c1cc2ccccc2o1	64631191	ADKNVZITEWIMET-INIZCTEOSA-N	416.481	4.809	50	20	HJGD	
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	725751566	VBPVDRVXYSGNCK-HZPDHXFCSA-N	402.626	4.558	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](SCc2ccccc2)C(C)C)cc1C	727492911	BGODWEGFTFQNBW-IBGZPJMESA-N	401.601	4.579	50	20	HJGD	
CCCN(C(=O)NNC(=O)CCCc1ccccc1)[C@H](C)c1cc2ccccc2o1	727845696	XLZHBJFIGWCYMQ-GOSISDBHSA-N	407.514	4.970	50	20	HJGD	
Cc1ccc(Oc2ccccc2CNC(=O)NNC(=O)Nc2ccccc2C)cc1	730128930	LNAPQUPKPFKKLY-UHFFFAOYSA-N	404.470	4.632	50	20	HJGD	
Cc1nc(C)c(CCNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)s1	731021043	YNXGKTXPLIKHRR-MOSHPQCFSA-N	410.587	4.949	50	20	HJGD	
O=C(NNC(=O)C1CCC1)c1sc(-c2ccccc2)cc1OCc1ccccc1	732141328	GYTINLZMCWCMNY-UHFFFAOYSA-N	406.507	4.555	50	20	HJGD	
O=C(CSCc1ccc(Cl)cc1Cl)NNc1ccc(Br)nc1	732836917	RBTZHCCDIYKUBV-UHFFFAOYSA-N	421.147	4.527	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)s1	734011570	NKLUFUYLTMLYBU-JTQLQIEISA-N	406.722	4.804	50	20	HJGD	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NNc2nccc3sccc23)cc1	734246399	BRSIMPDAEHHLFB-UHFFFAOYSA-N	404.426	4.856	50	20	HJGD	
CC1(C)Cc2cccc(C=NNC(=O)c3ccc(Br)cc3Cl)c2O1	737431169	DLDBMIUPRIOUSJ-UHFFFAOYSA-N	407.695	4.580	50	20	HJGD	
Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(CCCCl)cc3)cc2)nn1	741653835	IWHSWDBBVLWSLE-UHFFFAOYSA-N	417.918	4.550	50	20	HJGD	
C[C@H](CCO)SCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	741733163	RFMKUQIYIODCKX-OAHLLOKOSA-N	410.461	4.577	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C(F)(F)F	742471025	ZWWNBRDOHQFPGD-NSHDSACASA-N	416.852	4.592	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2cc(Cl)ccc2OC[C@H]2CCCO2)c2ccccc2n1	743422116	RIMPWBGHCONSTD-GOSISDBHSA-N	423.900	4.518	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NNc1ccc(Cl)nc1	745803653	VDZXFONLNNGPSO-NSHDSACASA-N	405.886	4.693	50	20	HJGD	
COc1cccc(Oc2ccc(CNC(=O)NNc3ccc(Cl)c(F)c3)cn2)c1	746745505	XNUQFQGGRDNAED-UHFFFAOYSA-N	416.840	4.501	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NNc1ccccc1F	748057395	UMEBOKMUITYDOT-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)n1	748336108	RTHUPGPKSAVVIU-SFHVURJKSA-N	420.872	4.693	50	20	HJGD	
CCC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C1CCCCC1	750917493	IUBNYXKUQUHSOC-UHFFFAOYSA-N	419.572	4.625	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCO[C@H]([C@H]2CCCO2)C1	752979162	SAKKLYILHVUUIL-KGLIPLIRSA-N	402.385	4.756	50	20	HJGD	
C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NNc1ccc(C#N)c(Cl)c1	753322897	QNSZEPBOFJYQFF-AWEZNQCLSA-N	406.873	4.513	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNc1cccnc1Cl	754479985	IPKKFIHJGISXAR-UHFFFAOYSA-N	402.885	4.944	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2-c2cnn(C)c2)c1C	759772388	RCOUYQUODIWHRV-XKZIYDEJSA-N	415.541	4.529	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cnc(Cc2ccc(F)cc2)s1	761598806	DDZVHQCSKLSXBG-UHFFFAOYSA-N	411.380	4.529	50	20	HJGD	
CC(=O)NNC(=O)Nc1cc(Cl)ccc1Oc1ccc(C(=O)c2ccccc2)cc1	765114262	ZWAMERZOHHOVFA-UHFFFAOYSA-N	423.856	4.536	50	20	HJGD	
O=C(NN=Cc1ccc(F)cc1Cl)c1cc(-c2ccncc2)nc2ccccc12	767746381	HBTYMDHWLSCUEN-UHFFFAOYSA-N	404.832	4.853	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1Oc1ccccc1)c1nnc(-c2ccccc2)o1	769569422	FMQOFSZYPDRROJ-UHFFFAOYSA-N	418.840	4.946	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2c(C)cccc2F)cc1	771692621	HEUKGRAKZSUCIK-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)C1(c2cccc(C(F)(F)F)c2)CC1	779210026	VLJZOIDQEYIDHR-UHFFFAOYSA-N	404.310	4.779	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1Cl	782108775	WCHHFLQNQGTQSD-SOFGYWHQSA-N	422.716	4.657	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NNc1cc(Cl)cc(Cl)c1	792441354	OCEOCFBIWUJJHN-UHFFFAOYSA-N	424.328	4.780	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3CCC[C@H]3CCF)cc2)n1	794859839	DXLIWXSMXOFYKY-KRWDZBQOSA-N	400.523	4.631	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(F)c(Cl)c1	804206230	DVFKSTHLNYWMOL-UHFFFAOYSA-N	410.758	4.712	50	20	HJGD	
CCOC(=O)C(C)(C)c1csc(NC(=O)CCCC[C@H]2CCSS2)n1	807876215	NYUDOGFJHISXQO-LBPRGKRZSA-N	402.607	4.636	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@@H]1c2ccccc2CC12CCOCC2	812562708	CKVGRAYDCKWOIC-GOSISDBHSA-N	406.313	4.714	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1c(OC)ccc2ccccc12	915851302	BKOVMTVEAWIRFT-ATVHPVEESA-N	402.450	4.760	50	20	HJGD	
O=C(COc1ccccc1Cc1ccccc1)NN=Cc1ccccc1Br	916304576	FPFUBGCCFCNBOI-UHFFFAOYSA-N	423.310	4.569	50	20	HJGD	
CC[C@@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)c1ccccc1OC	916496946	YSZPZSPMHJAJOE-GFCCVEGCSA-N	403.697	4.828	50	20	HJGD	
CC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)c3ccc4c(c3)OCO4)c2C)c1	917623775	NLHCUNBKTBAAKX-FBHDLOMBSA-N	412.445	4.815	50	20	HJGD	
Cc1c([C@H](C)NC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)oc2ccccc12	918002123	RQWIQNUPJWONNN-JSGCOSHPSA-N	411.527	4.633	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@H](CCc1ccccc1)c1ccccc1	918231791	SKZBQERUCWJAKS-HSZRJFAPSA-N	424.504	4.553	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1	920210932	RZZGXFISXBDRJP-CQSZACIVSA-N	409.477	4.834	50	20	HJGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)S(=O)(=O)c1cc(Cl)ccc1Cl	920755591	NDCYEDYFOMLSDE-AWNIVKPZSA-N	412.685	4.633	50	20	HJGD	
O=C(NCc1ccccc1-c1ccc(Cl)cc1)NNC(=O)c1ccccc1Cl	1338344861	ACSXHDJPXWPWFU-UHFFFAOYSA-N	414.292	4.805	50	20	HJGD	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@](C)(Cl)CCl)cc2)CCC1	1790493626	CHAYDHVUVHPVGI-KRWDZBQOSA-N	419.299	4.568	50	20	HJGD	
Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Br)cc3)CCC2)c1	1791437878	PZQRXVZGRVXEMF-OAHLLOKOSA-N	415.331	4.526	50	20	HJGD	
C[C@H](C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1ccccc1	1792313214	KRCWCGIOPGDPOC-AWEZNQCLSA-N	405.325	4.728	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831695661	DZXIPBZVKOMMSE-ZIBCJSCZSA-N	411.030	4.840	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(SC(F)F)cc1	10995911	BVZRIBVXWXTHGD-UHFFFAOYSA-N	419.478	4.508	50	20	HJGD	
O=C(NNC(=O)c1ccoc1)c1ccc(COc2ccccc2-c2ccccc2)cc1	16231896	QYHPKNQFEQUJDC-UHFFFAOYSA-N	412.445	4.600	50	20	HJGD	
Cc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c(C)c1	21732913	QGHFMOFDWWIBEW-LPYMAVHISA-N	421.541	4.857	50	20	HJGD	
CCN(Cc1ccc(Cl)s1)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	302896398	OFLXXYWNVAVTCA-ZNBBLSJYSA-N	419.978	4.983	50	20	HJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1	726184836	YHQRAMKPQXTWJC-CPNJWEJPSA-N	407.466	4.835	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cnn(-c3ccc(F)cc3)c2)c(C)n1CC(F)(F)F	728176244	QLRYASYGYCZKBS-LZYBPNLTSA-N	416.378	4.782	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1	731932644	PNZULQDGLYJIBA-GOSISDBHSA-N	400.404	4.535	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N(C)c2ccccc2)ccc1OCC(F)(F)F	732716379	PFAXSOBLHXHXIC-WJDWOHSUSA-N	404.388	4.596	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(C)(C)C(=O)OC)cc2)c1C	741642125	VWCRRDCCQARMHL-RGEXLXHISA-N	407.514	4.511	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(Oc2cnccn2)cc1	743059313	WXICPGATKOGIEQ-YBEGLDIGSA-N	420.856	4.785	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1Nc1ccc(OC(F)F)cc1	747985610	DFNOZZWIHUHSTI-UHFFFAOYSA-N	414.368	4.697	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccc(F)c2)cc1	748099014	RFAWULMPOVUPAB-UHFFFAOYSA-N	400.457	4.803	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1ccc(C)cc1C)c1ccc(C(F)(F)F)cc1	748359698	HNDZSZZSYKLIID-QBFSEMIESA-N	407.461	4.743	50	20	HJGD	
C[C@H](Sc1ccc(Br)cc1)C(=O)NNc1ccc(OC(F)F)cc1	748643968	WYOAAPKUUQXDOI-JTQLQIEISA-N	417.275	4.674	50	20	HJGD	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	752015346	VQQPJFSERHSUBN-FOWTUZBSSA-N	406.438	4.961	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1ccc2c(cnn2C(F)F)c1	752756948	YWMIGIWMMGMWSY-UHFFFAOYSA-N	424.249	4.905	50	20	HJGD	
C[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)NNc3cccnn3)c2C1	753090475	JPQUZPUACVNKGT-PJCCXHTNSA-N	421.504	4.905	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccccc1NC(=O)C(C)(C)C	753173608	LQQXFSQJEVWRQN-UHFFFAOYSA-N	418.335	4.753	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	753279160	ZFJCYKNPFZCUDN-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1	756244802	FZRYQGOPLSUYCG-QFIPXVFZSA-N	414.465	4.697	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1)c1cccs1	761580608	DGQWMQNDNLZUKD-UHFFFAOYSA-N	421.400	4.656	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC(N2CCCC2=O)CC1	762974215	DSSOYCRSSPOJQL-UHFFFAOYSA-N	413.412	4.963	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1cccc(OCc2cccc(Cl)c2)c1	774773591	GTLUIQNPCKKGCB-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)NNc3ccc(C#N)cc3)ccc2OC(F)F)cc1	775465675	OTCJPIFVWMKEMJ-UHFFFAOYSA-N	424.407	4.984	50	20	HJGD	
O=S(=O)(NC[C@H]1Cc2ccccc2O1)c1cccc(S(F)(F)(F)(F)F)c1	777874015	DCABTTWGNQPNPO-GFCCVEGCSA-N	415.405	4.626	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1ccccc1CSc1nc2ccccc2o1	778446609	VRCIDUDBMBOONG-UHFFFAOYSA-N	410.886	4.925	50	20	HJGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	782118874	ZDJATAYJRDHPJC-UHFFFAOYSA-N	400.329	4.786	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@H](CO)Cc1ccccc1	782699616	NTHAFGDOTCRBMS-XJKSGUPXSA-N	418.868	4.631	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1c(Cl)nc(Cl)n1C)c1ccc(Cl)cc1Cl	787177499	KRDKSKDVGKTTRS-HXOPTJOXSA-N	418.111	4.818	50	20	HJGD	
COc1ccc(Oc2ccc(NC(=O)NNc3ccc(Cl)c(OC)c3)cn2)cc1	788620987	TTZJQFWSEZPIHV-UHFFFAOYSA-N	414.849	4.693	50	20	HJGD	
Cc1ccc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)nc1	789867356	NKVIBEFGLHAWLJ-NDENLUEZSA-N	402.473	4.502	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1ccnc(Oc2ccc(F)cc2F)c1	789996239	MIVHWIITHKDHSN-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2oc3ccccc3c2C)c1C	791117509	IWRPSAXIXORIMY-VJOZSWGJSA-N	405.498	4.590	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc(C(F)F)ccc1Cl	792445005	OUBCNJQVQTYKSH-UHFFFAOYSA-N	408.619	4.666	50	20	HJGD	
CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)CCCC[C@@H]1CCSS1	800689951	UXTCCFNQMMKMTQ-GDBMZVCRSA-N	413.630	4.841	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1	805378034	LQDISPWFTHJMFD-UHFFFAOYSA-N	419.466	4.574	50	20	HJGD	
C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	806402422	UZZWGJWZRHJJRQ-OCCSQVGLSA-N	415.428	4.671	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1	806583058	DQONJCQGDWRSOG-UHFFFAOYSA-N	417.603	4.553	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc(OC)c1OCC(F)F	809145878	IMZPKCWBVVFEKX-IUXPMGMMSA-N	401.409	4.754	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nccnc1-c1nc2ccccc2s1	812768393	RCEHWWFVDXAGSY-UHFFFAOYSA-N	403.511	4.942	50	20	HJGD	
N#CCc1ccc(NC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	814524123	QGPTYJICMXFJOO-UHFFFAOYSA-N	402.298	4.939	50	20	HJGD	
Cc1csc(CC(=O)NN=Cc2ccc(-c3ccccc3Br)s2)n1	912806215	DGQRJGVNKVROAM-UHFFFAOYSA-N	420.357	4.635	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(COc3ccccc3)o2)c2ccccc12	915952607	HHJFUMWQXGPYAN-UHFFFAOYSA-N	400.434	4.784	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)N[C@@H]1CCSc2ccc(F)cc21	916221557	ZXXIWCQCQDKLGI-CYBMUJFWSA-N	414.275	4.591	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2cccc(OCC(F)(F)F)c2)cc1	918976593	JNIXLXDIVLEDLI-YVLHZVERSA-N	405.372	4.677	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cs1	919846740	WCAFJNGQQWSLEZ-RQZCQDPDSA-N	410.930	4.736	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1nc3ccccc3cc1C)c(C)n2C1CC1	1254246127	MPNJQSOBRJZNKB-UHFFFAOYSA-N	400.482	4.907	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccn(-c2ccccc2C(F)(F)F)n1	1320114480	YYCTZNADEYEOQT-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3scnc3CC)CCC2)cc1	1786446778	ISRZHXDXECBGIN-INIZCTEOSA-N	419.978	4.861	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCC3(F)F)cc2)CCC1	1786464436	BDLVIAVTOPYONA-IRXDYDNUSA-N	412.908	4.963	50	20	HJGD	
C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C2(NC(=O)[C@@](C)(Cl)CCl)CCC2)cc1	1789209637	WYYVOJIVOXYLKY-LIVBEALHSA-N	411.373	4.793	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1	1790484281	IOYHINKLAFBBJJ-NRFANRHFSA-N	423.944	4.642	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)C3CC(C)(C)C3)cc2)CCC1	1791650676	GDPNEBQMEWUKAS-KRWDZBQOSA-N	421.379	4.730	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C)c2F)[nH]n1	1815314484	PPMCYRSYEVQXHQ-RDJZCZTQSA-N	420.916	4.571	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](Cl)CCC)CC1	1828820763	FCZCQUJTMAHUNQ-NJYVYQBISA-N	409.014	4.782	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)CC1	1831560974	ILWFMDGKZXSZGW-LEAZDLGRSA-N	414.993	4.747	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC	6209995	BPPVRJVFUQSKBD-UUILKARUSA-N	407.253	4.565	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2oc3ccccc3c2COC(C)C)c(C)c1	15428172	UJVMECIREJCHFL-UHFFFAOYSA-N	411.527	4.606	50	20	HJGD	
O=C(NCc1cccc(C(F)(F)F)c1)NN=Cc1csc(-c2cccs2)n1	728429772	PKSLIXKRUCVEIB-UHFFFAOYSA-N	410.446	4.724	50	20	HJGD	
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCCC[C@H]2CCSS2)c(C)c1	728524583	QNARZQWFQSNZKE-WMZOPIPTSA-N	424.657	4.858	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)NNc1ccc(F)c(F)c1F)c1ccccc1	729532359	KHMLVWAYNUPMHK-HNNXBMFYSA-N	423.435	4.593	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)c1ccc[nH]1	730207415	OYLHWFGGZQZWDX-QGZVFWFLSA-N	420.321	4.616	50	20	HJGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1	732995781	SMZFMCBPWZDLES-SFHVURJKSA-N	421.328	4.548	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(Oc2ccc(F)c(F)c2)cc1	740132171	CIOJQGFTDAOGJU-UHFFFAOYSA-N	409.314	4.928	50	20	HJGD	
CC[C@@H](Cc1cccc(Br)c1)C(=O)NNc1cccc(C(F)(F)F)n1	740137884	LKROPPXFMLMSRB-LBPRGKRZSA-N	416.241	4.575	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=C(C)c2cnc3ccsc3c2)cc1Cl	741769443	KFYDGCHUBHYWPF-UHFFFAOYSA-N	404.879	4.513	50	20	HJGD	
N#Cc1cccc(NNC(=O)NCc2ccccc2COc2ccccc2Cl)c1	745851607	RSTQEMUSVITUAW-UHFFFAOYSA-N	406.873	4.617	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NNc3cc(F)c(F)c(F)c3)c12	746706695	IBVJVGJXCLTJLE-UHFFFAOYSA-N	417.435	4.546	50	20	HJGD	
O=C(CCCc1ccc(Br)s1)NNc1ccc(OC(F)F)cc1	748643913	TWSKXSFLCZUSKS-UHFFFAOYSA-N	405.264	4.578	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2CSc2ccccc2F)o1	752522597	AFADJYOBAQVOAF-UHFFFAOYSA-N	424.453	4.840	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ncoc1-c1cccc(C(F)(F)F)c1	752635663	HXJXYMXLDIENSD-UHFFFAOYSA-N	401.266	4.535	50	20	HJGD	
O=C(NCCNC(=O)c1cccs1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752972070	HSXMCIZOTHPFJA-UHFFFAOYSA-N	415.409	4.957	50	20	HJGD	
CCCc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)cnn1-c1ccccc1	753398535	FREQKJYDDKLNCV-UHFFFAOYSA-N	405.889	4.783	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1cc(Cl)ccc1SC1CCCC1	755891335	SQMQWLXEEGWIBW-UHFFFAOYSA-N	404.919	4.918	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1ccc(Oc2cccc(F)c2)cc1	756148314	HVYCLRCOCROYNP-UHFFFAOYSA-N	404.401	4.566	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cncc(-c2ccc(Cl)cc2)c1	757639282	PWBUWNILOFCNKA-UHFFFAOYSA-N	420.683	4.784	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1cc(C(F)F)ccc1Cl	757735357	SDSZIGRYJGQWMP-UHFFFAOYSA-N	405.788	4.603	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2O[C@@H]2CCOC2)c(C)n1CCC(C)C	760154737	TZJBUJCFSKPDMV-ZPWPBLDLSA-N	421.541	4.864	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)c(C)c2)o1	762942116	PWLRQBCBXQTNKQ-UHFFFAOYSA-N	420.513	4.563	50	20	HJGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)C1	766331049	FEJCYHPNJYBTFM-GDBMZVCRSA-N	415.361	4.910	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c(-c2ccc3c(c2)OCCCO3)n1	767869775	MPMQSTPGKNXFLZ-BOPFTXTBSA-N	424.460	4.520	50	20	HJGD	
O=[N+]([O-])c1cccc(CN(CCP(=O)(c2ccccc2)c2ccccc2)C2CC2)c1	768566792	WKJZFOUNPSNTKT-UHFFFAOYSA-N	420.449	4.573	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1	768712375	KGNILIROTQFANT-UHFFFAOYSA-N	417.831	4.718	50	20	HJGD	
C[C@H](Cc1cccc(O)c1)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772952835	GSPOXYXDWRGIAJ-LLVKDONJSA-N	424.391	4.736	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)NNc1ccc(F)cc1)C(F)(F)F	775997010	RNIHCAFTRBOENH-SFHVURJKSA-N	421.398	4.558	50	20	HJGD	
O=S(=O)(NCC[C@@H](O)c1ccccc1)c1cccc(S(F)(F)(F)(F)F)c1	777981154	HQSNCMMWRLPQAX-OAHLLOKOSA-N	417.421	4.746	50	20	HJGD	
C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CS2	782116052	ZDEJLPPABHNENR-SMDDNHRTSA-N	402.410	4.737	50	20	HJGD	
O=C(Nc1cccnc1-c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1	782820778	IBYDBEVKBTYAOR-UHFFFAOYSA-N	408.461	4.557	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)CCCC[C@@H]2CCSS2)C1	784750443	KJIODMCYIWOCRX-OXQOHEQNSA-N	416.653	4.854	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(N3CCOCC3)ccc2C)c1C	797598625	AKFFMESVZUJNFT-PXLXIMEGSA-N	420.557	4.596	50	20	HJGD	
Cc1sc(Br)c(C(=O)NNc2ccc(Br)cc2)c1C	799705518	JLDWDCBSNBLCRT-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
Cc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2Br)sc2cc(F)ccc12	807285455	AIJQGXZNCIXZRR-UHFFFAOYSA-N	424.251	4.776	50	20	HJGD	
COc1cc(NNC(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)ccc1Cl	807618809	LAJUGHQNCHIGJT-CQSZACIVSA-N	412.877	4.923	50	20	HJGD	
O=C1OCc2c(NS(=O)(=O)c3ccc(S(F)(F)(F)(F)F)cc3)cccc21	808128278	NALHKGHCKXCQGR-UHFFFAOYSA-N	415.361	4.815	50	20	HJGD	
CC(C)(C(=O)NNC(=O)CC1CCCC1)c1csc(-c2c(F)cccc2Cl)n1	810282225	PCIXKMBRNXSLQH-UHFFFAOYSA-N	423.941	4.608	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812243853	AXTCJRWEXSIZNH-WQLSENKSSA-N	400.225	4.855	50	20	HJGD	
COc1ccccc1-c1noc([C@H](C)NC(=O)NNc2c(C)cccc2C(C)C)n1	813089498	UBGXXVLEWHMLHJ-HNNXBMFYSA-N	409.490	4.564	50	20	HJGD	
CC1(C)CCC[C@]1(O)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	815061573	ZRBVADDTQIUBTC-AWEZNQCLSA-N	409.442	4.564	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(OC)c(-c3ccccn3)c2)c(C(F)(F)F)c1	816702495	PITCICMHAWEHGL-UHFFFAOYSA-N	417.387	4.542	50	20	HJGD	
COc1ccccc1Nc1ncccc1C(=O)NNc1ccccc1C(F)(F)F	825282540	QBWZLIFQZOZSDM-UHFFFAOYSA-N	402.376	4.610	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2c(Cl)cccc2Cl)c1C	914496617	IMAJHAPARXBBDI-VEJKBTLKSA-N	420.340	4.843	50	20	HJGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(-c3cccc(Cl)c3)s2)n1	914691841	GIUJYECYJXVMQV-UHFFFAOYSA-N	416.959	4.718	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1C	916480017	BCDXTPGCSSRSNQ-MOSHPQCFSA-N	406.530	4.589	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1C	1323852903	YNOUSPPZHCCOCH-ZDLGFXPLSA-N	422.485	4.655	50	20	HJGD	
NC(=O)c1cnc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c(Cl)c1	1323927409	CRJDXAUAIFFZPN-UHFFFAOYSA-N	401.744	4.744	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(OCC2CC2)nc1	1324302722	MAPPRRLLHOCGTC-UHFFFAOYSA-N	419.325	4.665	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cccc(OCc2cccc(C(=O)O)c2)c1)c1ccccc1	1327921069	RZVUBKUZJXCOOK-FYJGNVAPSA-N	412.445	4.534	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4[nH]ncc34)CCC2)cc1	1786443165	ANRNXDDNSJAEHY-IBGZPJMESA-N	424.932	4.718	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1	1786446791	JJNWSBXBRYGMAX-FQEVSTJZSA-N	409.917	4.713	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2	1793680612	DCPVYZZBVAWVKL-YYIAUSFCSA-N	422.953	4.700	50	20	HJGD	
C/C(=C\c1cccs1)C(=O)N1CCC2(CCCN(C(=O)C(C)(C)CCl)C2)CC1	1805254742	LWPZVYFRKORPHJ-SAPNQHFASA-N	423.022	4.648	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(F)c2)n[nH]1	1821059949	RUJKEFSFVTYLDS-AEFFLSMTSA-N	420.916	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2Cl)CC1	1824617521	USRWOMYWZKVUIO-SJORKVTESA-N	415.361	4.574	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2C)CC1	1824617908	IUEMTSZLWNIBJX-FCHUYYIVSA-N	419.009	4.944	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2F)CC1	1824618002	LIZRDXDPMRGORQ-QUCCMNQESA-N	422.972	4.775	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccc(Cl)c(C)c1Cl)C2	1841671673	CEKMMQPMCHBXPC-HNNXBMFYSA-N	417.764	4.526	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCCC[C@@H]1CCSS1	25397208	YOCMBKOFQDNAQP-LJQANCHMSA-N	403.617	4.879	50	20	HJGD	
CC(C)C[C@@H](NC(=O)NNc1ccc(Cl)nn1)c1cccc(C(F)(F)F)c1	726851193	JJAYISVDHHCCRG-CYBMUJFWSA-N	401.820	4.562	50	20	HJGD	
Cc1ccc2cccc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)c2n1	727330690	RXBITFBKWJPWFP-WCCCRJGXSA-N	414.509	4.686	50	20	HJGD	
Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)CCCC[C@@H]2CCSS2)c1C	728524433	AABQHLRBVYGMKJ-SJLPKXTDSA-N	424.657	4.858	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)C(=O)c3ccc(C)s3)cs2)cc1	729849617	LCPJQDIUROPFJJ-XNTDXEJSSA-N	423.519	4.996	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc3ccccc3nc2N2CCCCC2)cc1	734484046	RWXVAMDRCXPKPC-XQNSMLJCSA-N	410.521	4.757	50	20	HJGD	
O=C(NNC(=O)C1CCC1)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	741690810	KUVCRMGNTWRSJI-UHFFFAOYSA-N	409.338	4.847	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC3(CCOCC3)C2)c(C)n1C1CCCCC1	742085337	YKBBGNPFYFXDKA-CJLVFECKSA-N	409.574	4.936	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1	747782461	LLLMCXARPXFRRT-DRTUPDLXSA-N	404.510	4.619	50	20	HJGD	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1	748643943	HMVPCAWLXFAQIO-UHFFFAOYSA-N	413.355	4.848	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1csc(-c2ccc(Cl)s2)n1	748733182	WIRSNRRKCCWMDZ-UHFFFAOYSA-N	415.283	4.844	50	20	HJGD	
CCCCCn1nc(C)cc1NC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	748766174	WLUPFXRVBXVHSG-LZAZYHHXSA-N	411.550	4.553	50	20	HJGD	
Cc1nnc(SCc2c(C(=O)NNc3ccccc3F)oc3ccccc23)s1	749267826	SBJUZSLLQHECND-UHFFFAOYSA-N	414.487	4.781	50	20	HJGD	
CCCCN1C(=O)CC[C@H](C(=O)NNc2cc(C)ccc2C)[C@H]1c1ccccc1OC	750715697	SBNQGYMDMVFTDU-GBXCKJPGSA-N	423.557	4.535	50	20	HJGD	
Cc1ccccc1C(C)(C)CNC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	750774436	HJRJIQLYQYOWFL-XUKJQLKWSA-N	419.569	4.593	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1	752390496	WHFQDEXLPYPRDT-SSQLKXLMSA-N	404.466	4.679	50	20	HJGD	
O=C(NCc1nc(C(F)(F)F)n[nH]1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752972679	LAJGTADLYYMKBH-UHFFFAOYSA-N	411.278	4.803	50	20	HJGD	
C[C@H]1CN(CCCNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H](C)O1	752980642	QOMNBBJOHKMGGD-STQMWFEESA-N	417.444	4.965	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC1=NNC(=O)c1ccc2ccccc2n1	762441353	LGDIBLLGGITXAT-UTKZUKDTSA-N	422.529	4.520	50	20	HJGD	
Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@H](Br)C(C)(C)C	767301382	ADBMSDRVPXJYSG-QGZVFWFLSA-N	403.320	4.995	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c[nH]nc2-c2c(F)cccc2F)cc1Cl	768481800	APGQEXIGUVWCQV-XFFZJAGNSA-N	414.799	4.563	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(c2ccccn2)C2CCCC2)c1C	769723712	NULWWMLBDMMXLU-ALDSOSFCSA-N	406.530	4.590	50	20	HJGD	
Cc1ccc(-c2noc([C@H](C)OC(=O)[C@@]34CC[C@@H](C[C@@H]3Br)C4)n2)cc1F	769977392	CTWNZHJDRHGBQU-CIMWUQIDSA-N	423.282	4.742	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	770760580	SPJVSBXXEOKOLB-CYBMUJFWSA-N	421.345	4.549	50	20	HJGD	
CCOCCOCc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1C	775655038	SGZLORJVQBCAID-UHFFFAOYSA-N	411.424	4.716	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3sc(-c4ccccc4)nc3C)c(C)cc2c1	778478953	LBMBWQZSEJOTMB-UHFFFAOYSA-N	404.495	4.741	50	20	HJGD	
CCc1noc(-c2ccc(C)c(NC(=O)NNc3ccccc3OC(F)(F)F)c2)n1	779437004	IWOPAVJFCJTSJK-UHFFFAOYSA-N	421.379	4.655	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	780925450	FIFDTPCYFGAAHQ-UHFFFAOYSA-N	412.824	4.538	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC(N2CC=CC2)CC1	782700502	YKDYYUJAWOAXCD-MRXNPFEDSA-N	419.900	4.774	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	787325894	NHRVFTILYUKTSX-BAILOTOSSA-N	419.481	4.756	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)ccc1OCCC(=O)O	788362238	GMSWGJDHKNDRKR-MHWRWJLKSA-N	407.447	4.553	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Nc1nc(C2CC2)cs1	796587544	JHWJYNQWDZBLLY-UHFFFAOYSA-N	420.420	4.645	50	20	HJGD	
CCc1cc2oc(=O)cc(COC(=O)/C(C#N)=C\c3ccc(OC)cc3)c2cc1Cl	798304099	IZPUMFLJCMFIQI-PXNMLYILSA-N	423.852	4.668	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1nccnc1C1CCC1	805475160	LNNYBMUPULMZPC-UHFFFAOYSA-N	407.543	4.592	50	20	HJGD	
CSc1cc(/C(C#N)=C\c2cc(Br)cc(Br)c2)ncn1	809157909	UCNQJJRNBRGMBW-SGAXSIHGSA-N	411.122	4.788	50	20	HJGD	
COc1cccc(OC)c1OC1CCN(Cc2ccc(OCCCCl)cc2)CC1	811456465	AWTUCLBCFJPQIW-UHFFFAOYSA-N	419.949	4.755	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F	817014187	WBZUANWOPDDFCB-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnn1-c1ccccc1	817014209	WZOJAGWIEHLZDM-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
CCCOc1c(Br)cc(C(=O)NNc2cc(C)ccc2C)cc1OC	857831118	JSPJQMVRBBHTLK-UHFFFAOYSA-N	407.308	4.620	50	20	HJGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)c1sc2nc(C)nc(C)c2c1C	863966654	JCXVKXFEWMCXAI-UHFFFAOYSA-N	416.547	4.778	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccccc2OC(F)F)c1C	913150040	KXUCMHNNBCUYTJ-SMLKNPDNSA-N	418.440	4.564	50	20	HJGD	
Cc1cc(OC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-]	915139472	LPMNCFLXLVSQRV-UHFFFAOYSA-N	401.806	4.535	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1cc2c(s1)CCCCCC2)c1ccc(OC)cc1	915911536	CWRWRPGONBQGAM-SFHVURJKSA-N	415.559	4.511	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@H](c1ccccc1)C1CCCCC1	916639048	OVNGRBGBYOZRDM-HXUWFJFHSA-N	415.921	4.614	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(C)n1CC(C)C	917844046	OIXBAQFNTSEJQI-SFEGVLDWSA-N	423.532	4.844	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)cc(C#N)n1C	918656004	CSJKPHBJOPGXOO-WQRHYEAKSA-N	419.504	4.659	50	20	HJGD	
O=C(NNC(=O)c1csc(-c2ccco2)n1)Nc1ccc(-c2ccccc2)cc1	1116950415	XTHBEEYWIRPMAP-UHFFFAOYSA-N	404.451	4.537	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C3(F)CCCCC3)cc2)CCC1)C(Cl)Cl	1789161945	RUPFSZNRGYRQRG-UHFFFAOYSA-N	401.309	4.597	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3c(F)cccc3F)cc2)CCC1	1790324387	WKPCLWNZTGTTRE-KRWDZBQOSA-N	420.887	4.659	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccn(C)c34)CCC2)cc1	1790487167	SPJCOVONVXPWKZ-HXUWFJFHSA-N	423.944	4.943	50	20	HJGD	
C[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CC=CCC3)cc2)CCC1	1791994078	LLYPPPQIHIOHBT-QRWLVFNGSA-N	419.363	4.650	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2C)n[nH]1	1814607090	SDTRPVHYKBBUIO-QAPCUYQASA-N	420.916	4.571	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C)c2)CC1	1824866887	PGIPPEMLCGFYDK-VXKWHMMOSA-N	419.009	4.565	50	20	HJGD	
CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@](C)(Cl)CCl)CC1	1830320305	VKVYSSYUEUASQS-GHTZIAJQSA-N	417.421	4.589	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	16019474	CISIVTKJIAUQGP-CPNJWEJPSA-N	416.456	4.737	50	20	HJGD	
N#C/C(=C\c1ccccc1OCc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1	44024856	OKWDRUNFTLVLLT-UDWIEESQSA-N	410.882	4.652	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNC(=O)Cc3ccc4ccccc4c3)c2)cc1	728601922	FRBJTRCOEVGIKK-UHFFFAOYSA-N	421.456	4.507	50	20	HJGD	
CCCCn1nc(C(=O)NN=C(CCC)CCc2ccccc2)c2ccccc2c1=O	740761406	QRFYFEMAZYICQD-UHFFFAOYSA-N	418.541	4.715	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=C(CC(F)(F)F)c2ccccc2)cc1Cl	741769743	PKMLAGQTOSIBGL-UHFFFAOYSA-N	415.799	4.835	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(C3CCCC3)CC2)c(C)n1C[C@@H]1CCCO1	742791450	NFHUALGPRGFWLL-BCGDRIGESA-N	409.574	4.620	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNc1ccc(Cl)nc1	743815784	IUEKRWLNIHITHP-UHFFFAOYSA-N	402.885	4.944	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCC(C)(C)c3ccccc32)c1C	745807029	UVZKKFGEBOJLKR-FIWMFUAISA-N	405.542	4.587	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)CCc2nc3cc(Br)ccc3s2)c1	748419739	LZWPAVMFRSSXHW-UHFFFAOYSA-N	404.333	4.752	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c1	748429794	VLJMPBUCCRWNJE-UHFFFAOYSA-N	403.269	4.949	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl	748584343	ODBHVLUSGLHFFS-WQLSENKSSA-N	406.225	4.846	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cn1)c1ccccc1	748730003	GFWVKRYPWNIRFQ-CYBMUJFWSA-N	412.833	4.540	50	20	HJGD	
CS/C=C/C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	751558207	QDADRZJREIQMOO-FOCLMDBBSA-N	418.518	4.570	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](CCO)c2ccccc2)c(C)n1C1CCCCC1	755854986	MPWARFYYNJCPMF-ZHNJOBQTSA-N	419.569	4.800	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cc(Cl)ccc1OC1CCCC1	755855873	GQKUDPRENIZEBM-UHFFFAOYSA-N	405.829	4.894	50	20	HJGD	
C[C@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1	756493027	BRTKDMXURDQBSK-OAHLLOKOSA-N	404.495	4.701	50	20	HJGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cc(Cl)ccc1Oc1ccc(F)cc1	758307496	MHDKORDVRKJTOX-UHFFFAOYSA-N	424.819	4.677	50	20	HJGD	
O=S(=O)(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccc(CCCl)cc1	760628817	AFARJPYOQCFMOU-HXUWFJFHSA-N	421.349	4.584	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)c(Br)c1O	761015978	SWJXHDINDVZKRP-DHDCSXOGSA-N	415.287	4.634	50	20	HJGD	
COC1CCC(N(C)C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762663001	UCNQVLPNTVVWAS-UHFFFAOYSA-N	416.412	4.699	50	20	HJGD	
CC(=O)NC[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762979149	GTXNXQQUNNUENW-LBPRGKRZSA-N	401.401	4.724	50	20	HJGD	
Cc1nc(O)cc(-c2ccc(NC(=O)NNc3c(Cl)cccc3Cl)cc2)n1	763264128	ZEDOFESCFVSNLE-UHFFFAOYSA-N	404.257	4.613	50	20	HJGD	
O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NNc1c(Cl)cccc1Cl	763616865	BUACMUWDVUSMDM-UHFFFAOYSA-N	417.252	4.866	50	20	HJGD	
CCCCCn1nc(C(=O)NNc2c(Cl)cccc2Cl)c2ccccc2c1=O	763617871	VMPSZRRVKOFGQE-UHFFFAOYSA-N	419.312	4.650	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ncccc2C(F)(F)F)c(C)n1CC(F)(F)F	765502212	PVRNGQCVTATXES-GHXNOFRVSA-N	401.310	4.871	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3cc(F)c(F)cc3F)cc12	767746443	JFUBGWLURTYXCM-UHFFFAOYSA-N	414.412	4.577	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1ccc2nc(C3CC3)sc2c1	773696845	INTQYENCAKMEGH-UHFFFAOYSA-N	421.309	4.562	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)c(C)cc2c1	778481252	CSFCCTRYWQXZMP-UHFFFAOYSA-N	422.485	4.656	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1cc(F)c(F)cc1F)OCc1ccccc1	782019966	XNFTXBLKAJLMSB-UHFFFAOYSA-N	415.371	4.610	50	20	HJGD	
CCCc1c(C(=O)NNc2nc3ccccc3cc2C)cnn1-c1ccc(F)cc1	782775118	YKIKTEPCFHJOMQ-UHFFFAOYSA-N	403.461	4.577	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cn(-c3ccc(F)c(Cl)c3)nn2)c(C)c1	782886729	HAVAHOMWORWEQE-OVCLIPMQSA-N	409.852	4.531	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1	788017786	QJMPXJSXMPYKFN-UHFFFAOYSA-N	402.655	4.795	50	20	HJGD	
N#C/C(=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1cnc2ccccc2n1	790231275	NDFXJFIKZZZREA-ZROIWOOFSA-N	402.255	4.847	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCCc3ccc(F)cc32)c1C	794056708	AUGCMSWBBKFKCU-CRSZMBIPSA-N	409.505	4.552	50	20	HJGD	
Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)NNc3nc4ccccc4cc3C)c2)o1	797100656	ZYFUDDLHEWVSEX-UHFFFAOYSA-N	414.465	4.502	50	20	HJGD	
N#Cc1nc(F)ccc1OS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	808344174	PCBWJYGNOXXWIV-UHFFFAOYSA-N	404.313	4.517	50	20	HJGD	
Cc1c(C(=O)NNc2nccnc2C2CCC2)sc2ccc(Br)cc12	816663975	QCIPTMXNERHVOE-UHFFFAOYSA-N	417.332	4.787	50	20	HJGD	
COc1ccc(NC(C)=O)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	903072557	KJWVVWOBTAWTRH-NDENLUEZSA-N	422.529	4.664	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc(C(C)=NNC(=O)CSc2ccc(C)cc2)cc1	914773420	UQWZHWGBBLEKHQ-UHFFFAOYSA-N	412.559	4.501	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)C(=O)Nc1nccs1	915851802	UYKLZJHEQUTNIL-PGJNLMOESA-N	421.322	4.561	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@H]1CCSc2ccccc21	915896675	WLWKBQGNRKYRPE-NSHDSACASA-N	403.722	4.905	50	20	HJGD	
CC(C)c1ccc([C@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C(C)C)cc1	915931618	YCTPTVMQRUJIIN-JOCHJYFZSA-N	404.514	4.700	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cnn(C)c2)c(C)n1-c1cccc2ccccc12	917229368	RXERTLCQENAFLY-WSDLNYQXSA-N	410.477	4.631	50	20	HJGD	
Cc1cc(C)c(NNC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c(C)c1	918103805	LDJIVFABMZYCFS-UHFFFAOYSA-N	420.488	4.830	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)c3nc4ccccc4n3C)cs2)cc1	920064545	FKHWUESEMWCJRG-PTNGSMBKSA-N	402.479	4.682	50	20	HJGD	
O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NNc1cccc([N+](=O)[O-])c1	1340924626	DUPIRPALRLAXJQ-UHFFFAOYSA-N	423.281	4.711	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)cc1C	1789649868	UJLSFIAXWPGXAE-UHFFFAOYSA-N	424.617	4.903	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)(C)C)cc1	1800495674	QRCRRUBMRFOHHK-DMUMMCEESA-N	420.981	4.523	50	20	HJGD	
Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c(F)c1	1824013876	ADYDKIDFHHXLJX-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)CC1	1830564435	JFBPELNTSOIOBV-FPOVZHCZSA-N	422.972	4.775	50	20	HJGD	
N#C/C(=C\c1ccc(SC(F)(F)F)cc1)c1nc(N)nc(Nc2ccccc2)n1	11297067	YYFVMBLTFDXILW-JLHYYAGUSA-N	414.416	4.873	50	20	HJGD	
CCOC(=O)NNC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	21770583	JSBMJVVHOUCLPG-UHFFFAOYSA-N	404.875	4.769	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2sc3ccccc3c2Cl)cc1	302644437	UQAHMBYJZIDYDM-KAMYIIQDSA-N	409.898	4.802	50	20	HJGD	
O=C(CCc1ccc(Cl)c(Cl)c1)NNC(=O)c1c(Cl)cccc1Cl	727791507	KKLDYOOYPNNLAV-UHFFFAOYSA-N	406.096	4.694	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C)CSc2ccccc2OC)cc1	728893689	PNLUVXWTYIYQBI-MCRQTXEHSA-N	410.539	4.545	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)C(=O)O)cc1)C(=O)c1c(Cl)cccc1Cl	730729634	KOPZXHZOCKXEBS-FLIBITNWSA-N	412.175	4.839	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc(F)ccc1Br	733808534	WZKJIPOQHSERMD-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COc1cc(C(=O)NN=C(C)CCc2ccccc2F)ccc1OCCC(C)C	734092869	FQSWDYKESORWRW-UHFFFAOYSA-N	400.494	4.998	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)ccc1OCC(F)(F)F	741470482	SCWYQHLUWMOCGH-ZSOIEALJSA-N	402.376	4.670	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1sc(-c2cccnc2)nc1C	741772513	YHEPBLTWYGGSPK-UHFFFAOYSA-N	417.441	4.661	50	20	HJGD	
Cc1ccc(C(=O)NNc2c(F)cc(F)cc2Br)cc1-n1cccc1	741980468	VYTUPMGGDWUKRF-UHFFFAOYSA-N	406.230	4.583	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3nnc(C)o3)c2)c1C	741987304	MKVQXLODTUZWOE-NDENLUEZSA-N	403.486	4.809	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)NOCc1ccccc1	745804323	ZOJQKQRMBNWJTJ-UHFFFAOYSA-N	405.079	4.514	50	20	HJGD	
O=C(CCCc1ccc(Br)s1)NNc1cccc(C(F)(F)F)c1	746033981	QPTIJBODODTDPN-UHFFFAOYSA-N	407.255	4.995	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3cccnc3Cl)cc(-c3cccs3)nc21	754479664	IQYMPFIYDIVGNX-UHFFFAOYSA-N	412.906	4.546	50	20	HJGD	
CS[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762663811	FQNTULMRIWBBBJ-QWRGUYRKSA-N	404.426	4.683	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(-n2ncc3ccccc32)cc1Cl	768093980	WGPSEEDHZPBPDX-UHFFFAOYSA-N	416.790	4.853	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H]3CCOC4(CCC4)C3)c2C)c1	769341081	MNZVAZYTMZPZOR-ZPWPBLDLSA-N	403.526	4.527	50	20	HJGD	
O=C(NNc1ncccc1Cl)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	769977305	ZPAJQKONVBOSBO-UHFFFAOYSA-N	422.316	4.600	50	20	HJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2ccnc(Br)c2)cc1	771532764	YCLYWBDPZCJMCO-UHFFFAOYSA-N	423.270	4.573	50	20	HJGD	
O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NNc1ccc(C(F)(F)F)cn1	775264773	NANUHAKONCHODO-BHQIHCQQSA-N	409.717	4.929	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1c(F)cccc1F)C(=O)c1ccc(OC(F)F)cc1	776266431	QZTDXPBLQSTGQU-WQLSENKSSA-N	401.319	4.746	50	20	HJGD	
COCCN(Cc1ccccn1)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	776487238	GRIGQSSAXSEZEZ-JWGURIENSA-N	420.557	4.587	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3sc(-c4ccc(C)o4)nc3C)c(C)cc2c1	778478994	NLZLVKOVWGXLFI-UHFFFAOYSA-N	408.483	4.642	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cnc2ccccc2c1C(F)(F)F	779210161	ZZRTVYVBSIOVCL-UHFFFAOYSA-N	415.293	4.909	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(NC(=O)NCC)ccc2C)c1C	785992890	LJEWVIHWJGNBCG-MOSHPQCFSA-N	421.545	4.901	50	20	HJGD	
C=C(CBr)COC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC	795484755	QZSGMIDOKMMLGW-CQSZACIVSA-N	424.364	4.503	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNc3ccc(Br)cc3F)cc2)cs1	799705016	BQBCUWUDMSSZFU-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	804773388	JJFSVELECOMIEQ-UHFFFAOYSA-N	419.243	4.537	50	20	HJGD	
Cc1ccc(CCC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)s1	811522150	CLDRINPHWXENOE-UHFFFAOYSA-N	406.433	4.608	50	20	HJGD	
Cc1nc(SCC(=O)NNc2ccccc2C(F)(F)F)[nH]c1Cc1ccccc1	849614490	ZGCXDUKCBCAKOD-UHFFFAOYSA-N	420.460	4.563	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1C	881880213	FDWRIBYUHPSUPJ-RCCKNPSSSA-N	415.541	4.704	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)N1CCn2c1nc1ccccc12	915853564	MFGQADZQUZPWBL-FYWRMAATSA-N	414.852	4.903	50	20	HJGD	
O=C(NCc1ccnc(OCc2ccccc2)c1)NNc1ccccc1C(F)(F)F	918204392	BQDTUAIODGKFIQ-UHFFFAOYSA-N	416.403	4.506	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1	920934877	CFYQFPRYHFXLAB-UHFFFAOYSA-N	413.497	4.761	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1oc2ccccc2c1CSc1cccs1	921299672	GILWLPBUXSPWSV-UHFFFAOYSA-N	404.513	4.956	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(-c3ccc4ccccc4n3)o2)c1C	1257663029	WFZCBLKJDKOXFG-DEFALTHMSA-N	413.481	4.975	50	20	HJGD	
CCCCOc1ccc(-c2nnc(/C(C#N)=C\c3cc(C#N)n(C)c3C)o2)cc1OC	1257897342	WDCCGQHVBYOJDJ-ZDLGFXPLSA-N	417.469	4.507	50	20	HJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2cncc(Br)c2)c1	1319850697	OWDMDVIDOHPGRH-UHFFFAOYSA-N	406.349	4.944	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)NNc1ccccc1F)C(F)(F)F	1320409418	RTPVNMVMGSUCOZ-SFHVURJKSA-N	421.398	4.558	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4[nH]3)CCC2)cc1	1786010924	VIPLIKNNHHXXEH-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCCCn3cccc3)CCC2)cc1	1790486419	CSDZURAZTUQHFD-FQEVSTJZSA-N	415.965	4.810	50	20	HJGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl)[C@@H](F)Cl	1800011086	WOYIGBLYJLETMK-SFNKJDCFSA-N	423.400	4.909	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC	7001130	NKUGJUUGHTVKCO-GXDHUFHOSA-N	407.495	4.747	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1OC	7713343	SLWKAQDPABKCRY-GZTJUZNOSA-N	419.506	4.990	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2coc(-c3cccs3)n2)c1C	26671421	YGLAYBQPRSLNLN-WOJGMQOQSA-N	408.527	4.845	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2ccccc2F)o1	71794871	KTMITKLFWQUZRV-UHFFFAOYSA-N	409.295	4.770	50	20	HJGD	
CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	302930920	FLCFYOAQAVKGJA-IAQYHMDHSA-N	424.872	4.713	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(SCCOC)cc2)cc1	728879781	UZOCKALCFFWWEK-FABDANFUSA-N	410.539	4.608	50	20	HJGD	
CC(C)Sc1ccc([C@@H](C)NC(=O)NNC(=O)Cc2cccc3ccccc23)cc1	729054329	RHMKEJTXWXDRDZ-QGZVFWFLSA-N	421.566	4.974	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(OC(C)C)CC2)c(C)n1-c1ccccc1F	730510215	WNCUCQPJNIDJNY-ZHZULCJRSA-N	409.505	4.556	50	20	HJGD	
CC(C)(C(=O)NNC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1	731218056	RLNDIDDYSHUZMR-UHFFFAOYSA-N	415.537	4.517	50	20	HJGD	
CC(C)N[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	732415908	GIALRMCUMQDPCY-DOMZBBRYSA-N	409.905	4.900	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C1(c2cccc(Cl)c2)CCC1	732978401	OZSGJQDCYPBKKL-UHFFFAOYSA-N	403.269	4.608	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCCc1nc(-c2cccc(Cl)c2)no1	734136911	PZCPQXNXYSXVLP-OAHLLOKOSA-N	411.980	4.763	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	734248044	DYISKFPKBRLJIC-UHFFFAOYSA-N	406.423	4.754	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cs1)C1CC1	734304110	DXCOGVFKEBKTCK-WUXMJOGZSA-N	410.886	4.583	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cn(-c2ccccc2)nc1-c1cccs1	734554835	KDDSNAQUXRVQNH-UHFFFAOYSA-N	414.412	4.775	50	20	HJGD	
Cc1cc(Cl)cc2nc(SCC(=O)/C(C#N)=C3/Nc4ccccc4N3C)oc12	735235093	RSKVHRRTOIMVNR-UYRXBGFRSA-N	410.886	4.748	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)c1C	735458298	DLHMDJQAUGJNAY-FMNVXAMXSA-N	420.340	4.843	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)[C@@H]1CCOC1	741756785	JITMNSPYYJOXCW-QGZVFWFLSA-N	411.552	4.731	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1scnc1Cl	742006775	YDSLGGSHDIWLAY-UHFFFAOYSA-N	401.500	4.623	50	20	HJGD	
O=C(NNC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F)Nc1ccc(-c2ccccc2)cc1	743616933	PCCWAJZBONNNCS-YLJYHZDGSA-N	422.435	4.524	50	20	HJGD	
O=C(NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(F)cc1F	743812063	NEKWMGMQWRTVCS-UHFFFAOYSA-N	409.607	4.783	50	20	HJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)n1	747439040	CGQQMHDQKDXHKK-LFYBBSHMSA-N	407.289	4.557	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc3ccccc3c2c1	747704153	YMRXRYMQCNCZAH-UHFFFAOYSA-N	414.248	4.975	50	20	HJGD	
CC(C)Oc1cc(Br)cc(C(=O)NNc2ccc(OC(F)F)cc2)c1	748656439	UAPFHXPLOOEQJO-UHFFFAOYSA-N	415.234	4.595	50	20	HJGD	
Cn1c(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc2cc(C(F)(F)F)ccc21	748725374	CVAFLMRPFSKKSF-UHFFFAOYSA-N	412.755	4.516	50	20	HJGD	
O=C(NN=C[C@@H]1CCOc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccccc1	752155258	NIFWDRROCCTUFR-FQEVSTJZSA-N	422.488	4.821	50	20	HJGD	
CC(C)C1(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1	753262154	MNONCRKKHFXDJF-LDADJPATSA-N	421.932	4.577	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1	763012347	MQNVFJRPIYKCPJ-NRFANRHFSA-N	411.933	4.657	50	20	HJGD	
C[C@H]1Oc2ccc(NC(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc2NC1=O	769943588	VAZUWWFBRGLJOP-SSDOTTSWSA-N	415.664	4.515	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)N2CCCCC2)c1	769969973	GAIDABFTKVOFOK-UHFFFAOYSA-N	407.301	4.768	50	20	HJGD	
CCc1nc2ccccc2n1C1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1	772373815	YZJADMKFLAHQPG-UFFVCSGVSA-N	401.470	4.708	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)s1	775252788	XREPGKOJKFFOAS-UHFFFAOYSA-N	421.404	4.563	50	20	HJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2nc3ccccc3cc2C)on1	777482647	OOTSTZGJPWEYMP-UHFFFAOYSA-N	404.495	4.889	50	20	HJGD	
CC(C)CO[C@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777995732	CKLKRPHCDYELKZ-LBPRGKRZSA-N	409.442	4.780	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](CO)c2cccc(F)c2)c(C)n1C1CCCCC1	778512411	UNGOGBLFNZSIJD-GAISBVLPSA-N	409.505	4.506	50	20	HJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)Nc1nc2ccccc2nc1Cl	779800760	XBPZZNWQJIQWHN-RAXLEYEMSA-N	413.264	4.881	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cnn(C)c2C(F)(F)F)c(C)n1C1CCCCC1	782824703	FMNULADFWQPHAO-YBEGLDIGSA-N	419.451	4.908	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1nnc(-c2cc3c(s2)CCCC3)o1	784733453	REMKOECHAXDCGX-AWEZNQCLSA-N	413.337	4.530	50	20	HJGD	
N#C/C(=C\c1ccc(OCC2CC2)cc1)C(=O)Nc1nc2ccccc2nc1Cl	790100735	HSLIJKBIRYEWAC-LFIBNONCSA-N	404.857	4.618	50	20	HJGD	
Cc1noc([C@@H]2CCCN2S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1	796254953	MCTSQIKXTOVBGQ-LBPRGKRZSA-N	419.397	4.561	50	20	HJGD	
CCCc1noc2nc(CC)cc(C(=O)NNc3ccnc4cc(Cl)ccc34)c12	800688130	PUEUYMRHBXDFIA-UHFFFAOYSA-N	409.877	4.696	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccccc1Oc1ccncc1	801197512	DDNFHARUWYJPHH-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
COc1cccc(NNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)n1	857483400	WBKLVQHMLXEIJN-UHFFFAOYSA-N	404.253	4.946	50	20	HJGD	
Cc1ccc(NNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1	912596917	ZRFNVPMQEZLFAE-OAQYLSRUSA-N	407.901	4.653	50	20	HJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)s1	914600073	OLLPVQHDUSCPTB-OJLMPMFISA-N	406.301	4.663	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc(Cl)c1O	915863728	KLUWMQSHNXVUKH-WUXMJOGZSA-N	405.907	4.744	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3ccccc3OCc3cccnc3)cc2C1	915951506	DMHCXWRLYPFDKS-MRXNPFEDSA-N	405.523	4.611	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c3nc(C4CC4)no3)c2C)cc1	918955204	RMZSBMVONHOCJH-XNHPLOEXSA-N	416.481	4.874	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1Cl	1317786129	BNLRQLRFGZKJME-OAQYLSRUSA-N	406.869	4.860	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CCC1	1786912248	IZVUANHECWPGAJ-ZHACJKMWSA-N	400.906	4.692	50	20	HJGD	
CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccccc1	1787646919	SKGPINCNFWWJQM-MOPGFXCFSA-N	402.897	4.849	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nccc4[nH]ccc34)cc2)CCC1	1788463072	SDEYAQVODNICDR-GOSISDBHSA-N	424.932	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cccnc34)CCC2)cc1	1790486513	CAPKPXIKARTXHM-FQEVSTJZSA-N	421.928	5.000	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)cc2F)n[nH]1	1821022408	WYLZFDWCJKNSPI-CRAIPNDOSA-N	420.916	4.571	50	20	HJGD	
Cc1ncoc1C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1842503711	XFNVSLFQYFECQN-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1	59245258	NJMWBVHHPPAPEZ-KGENOOAVSA-N	416.452	4.637	50	20	HJGD	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1OC	212695372	QJAYGANEIYOARA-ZSOIEALJSA-N	404.235	4.785	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)cc(C#N)n1C	725732488	IXEURKSSCPOSGW-OJSPLJLUSA-N	410.477	4.782	50	20	HJGD	
COc1cccc(-c2nc(C=NNC(=O)c3c(Cl)cccc3Cl)cs2)c1	727779281	VHWDPRFZTLFZTK-UHFFFAOYSA-N	406.294	4.889	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c2c(c1)C[C@@H](C)O2	728437450	DFMDCQQKMMMINT-DFWYYUMKSA-N	412.873	4.535	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cccnc1Oc1cccc(Br)c1	733361936	JPGNBXBHRMQYTQ-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)OCC/C=C/c2ccc(Br)cc2)cc(C#N)n1C	735340755	AVDDVGVAWNBCSK-DXVNTNFESA-N	424.298	4.521	50	20	HJGD	
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NNc1c(F)cccc1F	735701169	SJMKJOSHFMNJKG-UHFFFAOYSA-N	413.371	4.793	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/C#N)c1nc2c(C)ccnc2[nH]1	741474228	WHADTLVDKXWDLM-DHDCSXOGSA-N	406.852	4.676	50	20	HJGD	
Cc1ncc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c(C(C)C)n1	742006349	KDFPPSSQGUSNLA-UHFFFAOYSA-N	418.122	4.735	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1	743059299	WLBNTTSJZAVLTL-OHBJSSQQSA-N	410.901	4.682	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2cc(Cl)ccc2Br)c2ccccc2n1	743422185	ULCUZFPKUDLKBM-UHFFFAOYSA-N	402.679	4.723	50	20	HJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)NCc3cc4ccccc4[nH]3)cc2C1	746978292	AMZZPYQYFKJOIB-MRXNPFEDSA-N	424.570	4.525	50	20	HJGD	
O=C(Cc1c[nH]c2cc(Br)ccc12)NNc1ccc(C(F)(F)F)cc1	747604816	GGBYJJOPGKEROX-UHFFFAOYSA-N	412.209	4.635	50	20	HJGD	
O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NNc1ccccc1F	748057474	ZOWMZLJDHPDPAA-UHFFFAOYSA-N	403.413	4.510	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1	748736990	MEZWFRUVAYHTRR-UHFFFAOYSA-N	405.683	4.558	50	20	HJGD	
CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	752631958	SNWIUHSSUZGUDT-IAQYHMDHSA-N	424.872	4.713	50	20	HJGD	
CCc1c(C(=O)NNc2cc(Cl)ccc2Cl)nnn1-c1cccc(Cl)c1	752813560	WVUGVAPGCVEWJX-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)n1	755321370	SAZMNSWKKFPYLL-GFCCVEGCSA-N	416.938	4.566	50	20	HJGD	
C[C@@H](C#N)CSc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1	756478665	HXMYVJWFOZLDFU-HNNXBMFYSA-N	404.495	4.558	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(C(F)(F)F)s1	761749820	NNLAZKNEMJPYCY-UHFFFAOYSA-N	401.460	4.619	50	20	HJGD	
N#Cc1c(F)ccc(C=NNC(=O)c2ccc(Br)cc2Cl)c1Cl	761808182	YYFBRJRATOQEPQ-UHFFFAOYSA-N	415.049	4.531	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCc2ccc(O)cc2C1	762640615	QDFWYGWIWSPLFP-UHFFFAOYSA-N	422.375	4.573	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	762724438	QZRWHCGZWYMBRV-UWVGGRQHSA-N	412.302	4.740	50	20	HJGD	
O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NNc1c(Cl)cccc1Cl	763616522	SWYRNYCVIFJQRO-CYBMUJFWSA-N	416.717	4.593	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1ncc(Cc2ccc(F)c(F)c2)s1	769931453	IGFPZJPXALVCGO-UHFFFAOYSA-N	414.359	4.578	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cccc(COc2cccc(F)c2)c1	775251864	BQGYVVYVAVSCIM-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
COCc1c(C(=O)NNc2ncc(Cl)cc2Cl)sc2cccc(F)c12	775273416	IXXWQIGURXZESE-UHFFFAOYSA-N	400.262	4.646	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(-c2ccc(C#N)cc2)n1	777869526	LELUAGHGFWJQFN-OVCLIPMQSA-N	422.275	4.811	50	20	HJGD	
CSc1cccc([C@@H](NS(=O)(=O)CCCCCl)c2ccc(F)c(F)c2)c1	780799151	YGWDCOOFXKORJF-GOSISDBHSA-N	419.946	4.715	50	20	HJGD	
C=C(C)[C@@H](CC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)OCC	783461737	VWNGPNYAKFOSNG-CYBMUJFWSA-N	423.425	4.520	50	20	HJGD	
CC1(CNC(=O)CCCC[C@H]2CCSS2)CCN(C(=O)OC(C)(C)C)CC1	784755584	UEQBTKWILOPKKG-INIZCTEOSA-N	416.653	4.854	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2csc(-c3cccc(OC)c3)n2)cc1	787153483	DXHFYXUVMCCECP-LZNAANCOSA-N	419.506	4.612	50	20	HJGD	
N#CC1(N(C2CC2)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCC1	788086480	QTSNLSMOJKXMQK-UHFFFAOYSA-N	402.410	4.943	50	20	HJGD	
CCC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCN(C(=O)c2ccccc2)CC1	791734852	XPAPBVMORJHLEF-UHFFFAOYSA-N	420.340	4.769	50	20	HJGD	
Cc1ccc2ncc(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)c(=O)n2c1	792548739	WLKTWCSCUQSWJI-UHFFFAOYSA-N	405.348	4.913	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(O[C@@H](C)C(=O)O)cc3)n2)cc1	794690210	HMELHTWVRKFMLN-FMNVXAMXSA-N	406.463	4.735	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1-n1cncn1)c1nc(-c2ccc(C#N)cc2)cs1	794937488	JEQKBFWXUNLNGH-REZTVBANSA-N	414.881	4.980	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	797667552	LTFJOSYFGMHZBW-UHFFFAOYSA-N	412.437	4.562	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)c1	797975145	IVEVNPWOGFSDDD-UHFFFAOYSA-N	420.252	4.500	50	20	HJGD	
CC(=O)NCC[C@@H]1CCCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1	805823370	YORKTZZWPLYOSB-FQEVSTJZSA-N	404.671	4.947	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(Cl)c2ccccc12	807114998	TUDBYRMBVQRWFO-ZDUSSCGKSA-N	406.873	4.722	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ncc(C(C)(C)O)s2)c(C)n1C1CCCCC1	811619868	LAICSUWZDFXIQU-BOPFTXTBSA-N	412.559	4.840	50	20	HJGD	
CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	812497161	SJEGYSNLJOMXAD-INIZCTEOSA-N	415.704	4.511	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	815827511	COANDVIITJHOHD-UHFFFAOYSA-N	404.373	4.727	50	20	HJGD	
CN(C)Cc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	817014832	ACXBJQTVBCDRDM-UHFFFAOYSA-N	405.342	4.543	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](c2ccco2)N(C)C)c(C)n1C1CCCCC1	858537468	NOCGTSAKJXDEJL-PZHBDVNGSA-N	408.546	4.529	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c1	877254878	HUJSLGLACWZTTE-BKUYFWCQSA-N	412.493	4.907	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cccc(OCc3cccc(C#N)c3)c2)cc1	915983421	BWOFASVUONXUPY-ZVHZXABRSA-N	414.486	4.784	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1C(N)=O	916472860	WQOKDMPAMCKTEY-CPNJWEJPSA-N	404.514	4.563	50	20	HJGD	
Cc1ncc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)s1	916507078	ZWCJDTVVCWKQQC-ZDLGFXPLSA-N	408.502	4.564	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccn(-c3ccccc3)n2)c(C)n1CC(C)C	917767476	UPNIFBAITWMWRL-HMAPJEAMSA-N	415.541	4.512	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(C3CC3)no2)c1C	918808143	LUFRAVQWUYVOSU-BRLDDBHUSA-N	416.481	4.874	50	20	HJGD	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)s1	919858715	RPCCFXBSQOWZFT-AMRJIULGSA-N	415.522	4.618	50	20	HJGD	
Cn1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c(-c2cc3ccccc3o2)n1	920370231	HXPPPZKJPUCZSV-UHFFFAOYSA-N	413.264	4.904	50	20	HJGD	
N#Cc1ccc(NNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1	1320008598	BGVCAVZJCAXWOK-UHFFFAOYSA-N	403.294	4.674	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1Cl	1799543616	HQIPAGOFGQLKSF-ZWUHOBOKSA-N	417.764	4.653	50	20	HJGD	
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(CBr)ccc1F	2090611342	OYBAFOMQHGHCNL-UHFFFAOYSA-N	405.264	4.792	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1	10742969	VHICZUFQVWPHMM-UHFFFAOYSA-N	423.563	4.544	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)Nc1ccc(SC(F)F)cc1	27121595	ZKWUSRRMKFJUHO-LICLKQGHSA-N	410.449	4.792	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc(OC)c(O)cc2Br)cc1	214134444	IIMXMAAEHGOEFW-CXUHLZMHSA-N	400.272	4.906	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(CN2C(=O)CSC2=O)cc1	725715167	VKKAUMJADKOGAN-HNNXBMFYSA-N	410.586	4.535	50	20	HJGD	
CC(C)c1cc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c2ccccc2n1	727793541	PKIYCDLHMOUPTP-UHFFFAOYSA-N	402.281	4.740	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(F)cccc2-n2cccn2)c1C	730195623	DCJBYHZMDFXJFX-XMHGGMMESA-N	405.477	4.776	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OC[C@H]2CCc3ccccc32)c(-c2ccccc2)n1	730927083	QLCNVMLVJTVJPQ-ODAUKNCYSA-N	422.488	4.644	50	20	HJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2C(=O)O)c1	731562484	CJDHQDYTQYJQLJ-URDVPIJWSA-N	418.493	4.566	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(C)(C)C)CC(F)(F)F)c1C	731990791	IQEPZGZOPVBODZ-UPAIAECRSA-N	413.484	4.656	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c1C	732541187	BYKUIDJSZJQFDY-NGWPFTMJSA-N	409.921	4.829	50	20	HJGD	
Cc1cc(C(=O)NNc2c(F)cccc2F)c(C)n1-c1cccc(Br)c1	735700281	HXHWSWOQSPBVEV-UHFFFAOYSA-N	420.257	4.892	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3ncccc3C(F)(F)F)s2)cc1	740087797	OKJSPYNLMXPLTO-UHFFFAOYSA-N	422.432	4.688	50	20	HJGD	
Cc1cc2cc(C(=O)NNC(=O)c3ccc(Br)cc3Cl)oc2cc1C	742638923	OBYXDFQYYVFXFI-UHFFFAOYSA-N	421.678	4.540	50	20	HJGD	
O=C(NCc1c(F)cccc1Cl)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743570568	NTPWYDNLPYXOHA-UHFFFAOYSA-N	412.852	4.682	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)c(Cl)c1	746706879	NCTVAGAHKLULAG-UHFFFAOYSA-N	415.799	4.861	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	748672783	LJTNKGTUQPTLLA-UHFFFAOYSA-N	408.483	4.886	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)C(C3CC3)C3CC3)cc2)cc1	753008627	SKHJPRQFRHRAMH-UHFFFAOYSA-N	412.555	4.522	50	20	HJGD	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	759972430	AOUQMWIVGHSLIY-LBPRGKRZSA-N	414.811	4.633	50	20	HJGD	
CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)C(F)(F)F	761746819	YONOXVDTMNXDNO-UHFFFAOYSA-N	411.383	4.668	50	20	HJGD	
O=C(NCc1ccc(Cl)cn1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762668459	FOQNENSTSIDVRZ-UHFFFAOYSA-N	415.771	4.647	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H](Br)C(C)(C)C	767331414	JJROBLNKEREKRK-WMLDXEAASA-N	409.368	4.758	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2nc(-c3c(F)cccc3F)cs2)c1	768015069	FRFLSFHZTKTEEZ-ZSOIEALJSA-N	412.417	4.747	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1cc(COc2ccc(Cl)cc2Cl)on1	772635968	QYRBOQUSZKYZQC-UHFFFAOYSA-N	412.660	4.971	50	20	HJGD	
O=C(NN=Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(COc2ccccc2)o1	772840005	XYIGYCTUZRWSSY-UHFFFAOYSA-N	406.335	4.780	50	20	HJGD	
Cc1csc(-c2ccc(NC(=O)C(=O)NNc3c(Cl)cccc3Cl)cc2)n1	773696855	IWDXQPKNNSBIDK-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
CON(Cc1ccccc1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773727202	ORLHZFBFWWVPST-UHFFFAOYSA-N	410.364	4.873	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(C(F)(F)F)c2)cc1OCCC(C)C	773739885	GFJPYRBNKXLBSL-UHFFFAOYSA-N	423.435	4.521	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1csc(-c2ccc(Cl)s2)n1	775271429	MOQJHUILNXZMFT-UHFFFAOYSA-N	405.719	4.984	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(Br)c2)cc1	775629430	HSMWRZGKNRQEOW-JYRVWZFOSA-N	418.678	4.607	50	20	HJGD	
C[C@@H]1CCCN([C@H](C)CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777880753	RIYUKWOULMGPGT-CHWSQXEVSA-N	422.485	4.743	50	20	HJGD	
COc1ccccc1C(=O)NN=Cc1ccc(Br)cc1SC(C)C	779777172	SAOMYWMIEXBYQB-UHFFFAOYSA-N	407.333	4.722	50	20	HJGD	
CC(C)N1CCC(N(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782980330	PISHFIUSNSVOCC-UHFFFAOYSA-N	422.485	4.837	50	20	HJGD	
O=S(=O)(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(S(F)(F)(F)(F)F)cc1	782983094	INHJQCXHFBNOOF-MJBXVCDLSA-N	407.426	4.580	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)cc1OCC	794880819	AUVQISGUUNQGGN-AVIKPIRVSA-N	422.319	4.539	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc2ncsc2c1	804206730	NZJDNUSWXUYYRH-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cc2cccc(F)c2o1	804209478	BCYFTDOCAGVWDO-UHFFFAOYSA-N	416.334	4.805	50	20	HJGD	
COCC(C)(C)CCCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	807490543	DOMPUDDLHAGGRK-UHFFFAOYSA-N	418.428	4.852	50	20	HJGD	
O=C(Cc1noc2ccccc12)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015842	UQXJWSRSCFTESH-UHFFFAOYSA-N	403.282	4.551	50	20	HJGD	
Cc1nc(C2(NC(=O)/C(C#N)=C\c3cc(C)n(CCC(C)C)c3C)CCCCC2)no1	818110191	UHZZWHSYMFNRFD-STZFKDTASA-N	423.561	4.725	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NNc3ccccc3)c2C)cc1	868094908	RDANXFSOHRPUCY-HKWRFOASSA-N	400.482	4.543	50	20	HJGD	
Cn1cc(C(=O)NNC(=O)c2sc3cccc(Cl)c3c2Cl)c2ccccc21	912993647	AHYPWXODLSOBGR-UHFFFAOYSA-N	418.305	4.775	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(NC(=O)CCC)cc2)c1C	916070179	CIQBYNRIHONHSJ-JCMHNJIXSA-N	420.557	4.867	50	20	HJGD	
O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)NN(Cc1ccccc1)c1ccccc1	916686712	KSSPZPHPHLTRTP-XMMPIXPASA-N	417.509	4.988	50	20	HJGD	
CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccc(CCCl)cc3)oc12	917863914	WHUNARMRKNQKOC-CQSZACIVSA-N	407.919	4.652	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	918595338	OEZOJTAYAJYWJC-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1	921036405	LEXVXVHHFYZLEE-GDBMZVCRSA-N	400.560	4.621	50	20	HJGD	
CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccccc1	1787646922	SKGPINCNFWWJQM-RTBURBONSA-N	402.897	4.849	50	20	HJGD	
O=C(CCc1ccc(F)c(F)c1)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788581050	SVDCLQCDGXJKHZ-IBGZPJMESA-N	424.850	4.566	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccncc34)cc2)CCC1	1790859397	HPTYNPWMLLAPSS-NRFANRHFSA-N	421.928	5.000	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)c3occc3C)CCC2)cc1	1791359574	SBSCFEPABIJGPN-MRXNPFEDSA-N	419.319	4.509	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1	1824611247	INABWLYMXRWDQR-RLFQVEEXSA-N	423.022	4.789	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(C)C)CCC2)CC1	1824617767	DNMAFWNWBGQNLZ-WOJBJXKFSA-N	411.030	4.840	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(-c2ccccc2Cl)o1	7961103	DMXMAVJHCVAHHN-UHFFFAOYSA-N	406.294	4.885	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)C(=O)c3ccc(F)cc3)cs2)cc1	16883915	NCQDJHOEZCDDQY-LFIBNONCSA-N	421.453	4.765	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(Cc2ccccc2Cl)c1C	211579157	BAENKJHWNZGUJP-PDGQHHTCSA-N	420.900	4.756	50	20	HJGD	
Cc1cc(OC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-]	247979447	FVVWSZRIESIXMV-UHFFFAOYSA-N	418.858	4.740	50	20	HJGD	
CN1CCC2(CC1)C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccc1O2	302716774	CIPHKBYCTSOVIV-HKUYNNGSSA-N	420.644	4.805	50	20	HJGD	
CCN(Cc1ccc(Cl)s1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727850688	HEMHJJHXTOQKOX-UHFFFAOYSA-N	406.722	4.585	50	20	HJGD	
CN(CCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CCCC1	729622702	VYAHTTHYNNRWQY-HNNXBMFYSA-N	409.905	4.902	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12	730767863	QEXDJUHVVGLSNK-UXHICEINSA-N	410.926	4.536	50	20	HJGD	
CC(C)(C(=O)NNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1ccccc1	731174407	BEHMSIUEVYBTCC-XDJHFCHBSA-N	408.498	4.553	50	20	HJGD	
CC(C)(C)C[C@@H](NC(=O)NNC(=O)NCc1ccc(Cl)cc1)c1ccc(F)cc1	733037417	XTKYVSALACLYKS-GOSISDBHSA-N	420.916	4.670	50	20	HJGD	
CCc1cc(NNC(=O)c2ccc(-c3ccc(F)cc3)s2)nc(-c2ccccn2)n1	734354420	HKOIXSCWUYOVQN-UHFFFAOYSA-N	419.485	4.726	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ncc(-c3ccccc3)o2)c1C	741294488	CMPHWFXNSAFKHW-LANLRWRYSA-N	419.481	4.618	50	20	HJGD	
COc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c(OC)c1	742005924	AQMHQKFFOWOPNY-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
O=C(NNC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(Cl)cc1Cl	743811836	YDYCBSRGSFSQBD-UHFFFAOYSA-N	407.179	4.870	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	743817231	UTZCWKZEQJRXFY-SFHVURJKSA-N	405.857	4.990	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)c3cn(C)c4ccccc34)c2Cl)c1	744782469	RSROFAMGPNKTEU-UHFFFAOYSA-N	419.916	4.707	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(-c2ccc(Cl)s2)on1	748077435	PYARINSCFXAAIU-UHFFFAOYSA-N	416.659	4.715	50	20	HJGD	
Cc1ccc(NNC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)cc1	749193921	OZLGQFPSIMNNPU-UHFFFAOYSA-N	403.511	4.530	50	20	HJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1	750043967	PNEXGDJYZXREAU-BHLUFBHMSA-N	404.253	4.840	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2SC)OCCO3)c1C	751199796	SLGXFFJNLLLVME-LICLKQGHSA-N	411.527	4.554	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)c1C	752199193	WPTPKCCVVRXHGV-ODLFYWEKSA-N	419.485	4.501	50	20	HJGD	
Cc1ccc(-c2cncc(C(=O)NNc3c(F)cc(F)cc3Br)c2)cc1	757664757	AGSQVFVAWIVNBY-UHFFFAOYSA-N	418.241	4.855	50	20	HJGD	
C[C@@H](Cc1cccc(O)c1)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762640966	LYENAGMRKJJUBC-NSHDSACASA-N	424.391	4.736	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1ccn(C2CCCC2)n1	763415801	NQSDMMXKVGMUCP-UHFFFAOYSA-N	418.122	4.824	50	20	HJGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	766260404	PYDRFDSBTZKZAU-UHFFFAOYSA-N	416.692	4.516	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc(NCc2ccccc2)nc2ccccc12	768248152	BDRNJFGNMCWLFL-UHFFFAOYSA-N	413.437	4.512	50	20	HJGD	
CC(=O)N1CCc2cc(NC(=O)NNc3c(Cl)cc(Cl)cc3Cl)ccc21	769938018	WPYVRAQSUQIFLY-UHFFFAOYSA-N	413.692	4.704	50	20	HJGD	
C[C@@H](CBr)COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1	770315523	FARRKDRSZSHFLN-KXBFYZLASA-N	401.304	4.568	50	20	HJGD	
Cc1ccc(-c2nnc(-c3ccc(C(=O)NNc4cc(Cl)ccn4)cc3)o2)cc1	778446746	GUGFAVJRWWBDPS-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
Cc1nnc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)s1	781864584	RPODTEIXOYDFKS-YDDPGSGASA-N	406.511	4.774	50	20	HJGD	
Cc1cc(Br)ccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782822381	XVLHINLKOXMJBS-UHFFFAOYSA-N	424.298	4.566	50	20	HJGD	
COc1cc(NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)ccc1Cl	790178132	VZXBEPMKWSEHIE-UHFFFAOYSA-N	419.312	4.621	50	20	HJGD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cccc(NC(=O)NN(C)C)c3)c2C)c1	791272586	KAUHNRIRJWUOHL-UHFFFAOYSA-N	419.529	4.561	50	20	HJGD	
CCc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)nnn1-c1cccc(Cl)c1	791726948	PIPTWMCDPOCRLQ-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
CSc1nc(-c2ccco2)nc(C)c1C(=O)NNc1cc(Cl)cc(Cl)c1	791733208	CFNSZCRUCBCWDO-UHFFFAOYSA-N	409.298	4.831	50	20	HJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(Br)cc1C	793710613	MXIQRLSMCKBZEB-UHFFFAOYSA-N	400.276	4.732	50	20	HJGD	
Cc1ccccc1NNC(=O)C(=O)Nc1cccc(-c2ccc(Br)cc2)c1	806998712	QCRASLUBTNUEPN-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
COc1ccc(NNC(=O)c2ccccc2OCc2cscn2)c(C(F)(F)F)c1	816704328	OEBDYRXVUZYHNI-UHFFFAOYSA-N	423.416	4.506	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-n2cccc2)nc1	817013912	JGKHDVKRCBRPAS-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
CO[C@@H](C)C(=O)Nc1ccc(Br)cc1CO[Si](C)(C)C(C)(C)C	821634700	RSWVNMVPHBMBQT-LBPRGKRZSA-N	402.405	4.944	50	20	HJGD	
COc1ccccc1Nc1ncccc1C(=O)NNc1cccc(C(F)(F)F)c1	825286229	HHNVCTOETKJKHQ-UHFFFAOYSA-N	402.376	4.610	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)C3CCN(C(C)C)CC3)c2C)cc1	904219688	XTOMQLIXZBKQLW-XQNSMLJCSA-N	418.585	4.641	50	20	HJGD	
Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)C(C#N)=C1Nc2ccccc2N1	914528145	YEBULOFSTDUWCN-OAHLLOKOSA-N	401.495	4.503	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)cc1	914871306	ARMIVMOAGUWIAW-KOMLCTQHSA-N	422.525	4.913	50	20	HJGD	
CC(C)c1noc(CCC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n1	915145308	UNRZFQOERZLZFL-OAHLLOKOSA-N	407.845	4.984	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)Cc2ccccc2Cl)c1C	915631179	ROVHEAUWYNUQNB-HGZUYSHKSA-N	413.949	4.620	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)Nc1ccc2ccccc2c1	915995929	JLXIESZFHTVLHX-MRXNPFEDSA-N	415.518	4.778	50	20	HJGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1ccc(-c2nc3ccccc3s2)o1	916340265	RQSJLJCDXXFUIG-CYBMUJFWSA-N	409.442	4.613	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1sc(Nc2ccccc2)nc1Cl	916352485	PXZMHLPYZFIYOV-UHFFFAOYSA-N	405.310	4.886	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1C	916466768	DJKSXUIRDVIOAG-YSSBIZNGSA-N	407.514	4.618	50	20	HJGD	
Cc1cc(Cl)ccc1OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	916855085	NSMKIOIBTHXVGG-QGOAFFKASA-N	416.868	4.938	50	20	HJGD	
Cc1cc(C)cc(N(C)C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1	918668954	WNHVPFADLJNYNT-RCCKNPSSSA-N	409.493	4.651	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)Cc2cccc(Br)c2)cc1	920746203	AGIITWUCBZQXCD-BRFSQIRFSA-N	413.315	4.502	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccc(Cl)c(F)c1	1788586395	JKCLKTCRCVOKII-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccc2ncccc2c1	1788908287	NBEKECBNQYYJGN-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1	1791361291	ZKHGSVBCKWMUHJ-GOSISDBHSA-N	421.379	4.874	50	20	HJGD	
CSc1ccc(Cl)c(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)c1	15916810	XHIYMJLUPFKDBM-UHFFFAOYSA-N	406.935	4.562	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1	210579755	NZOIVIBVTDAGRB-QINSGFPZSA-N	405.435	4.878	50	20	HJGD	
COc1ccc2oc(C(=O)NNc3ccc(Br)cc3Cl)c(C)c2c1	729275899	YQWTYZCKEYFNRG-UHFFFAOYSA-N	409.667	4.923	50	20	HJGD	
O=Cc1cccc(OCc2ccccc2C(=O)NNc2ccccc2C(F)(F)F)c1	731602526	HGHXPIGIHIEEOA-UHFFFAOYSA-N	414.383	4.854	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(c3ccccc3)CCOCC2)c(C)n1CCC(C)C	732743531	DWWBYFVLWPJGQQ-HAVVHWLPSA-N	419.569	4.880	50	20	HJGD	
Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)CCCC[C@H]2CCSS2)o1	737882884	QHDSSQMYZCLESQ-ROUUACIJSA-N	403.573	4.718	50	20	HJGD	
COc1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])cc2Br)cc1Cl	739315270	XVHNHPQQQARJBO-UHFFFAOYSA-N	414.639	4.558	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc2ccc(Cl)cc2[nH]1	742108048	BNXIWUAWFNTELV-UHFFFAOYSA-N	400.610	4.619	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4ccc(Cl)nc4)cc3)o2)c1	743818249	PFQNLZZKZZWJEE-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	746750984	FCCZJOKVNRYDMV-BQBZGAKWSA-N	423.279	4.640	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc(-n2ccc(C(F)(F)F)n2)c1	747605871	QDKNRJFJNIDGKV-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
Cc1c(NNC(=O)c2ccc3cc(Br)ccc3c2)cccc1[N+](=O)[O-]	748660568	MYERIFOMTZJABA-UHFFFAOYSA-N	400.232	4.576	50	20	HJGD	
CC[C@H](C)n1c(SCC(=O)NNc2cccc(Cl)c2)nnc1-c1ccccc1	749842755	KNGAXPZYLGOOSV-AWEZNQCLSA-N	415.950	4.805	50	20	HJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	750044480	XBEHBSJRZZVTNY-MLHZQLSASA-N	419.416	4.528	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3nc(CC)no3)ccc2C)c1C	750857754	UTZDRKLKZRHXHM-UDWIEESQSA-N	417.513	4.981	50	20	HJGD	
Cc1nc(O)cc(-c2ccc(NC(=O)NNc3cc(Cl)ccc3Cl)cc2)n1	751991912	KBJRZPJHJFQBHE-UHFFFAOYSA-N	404.257	4.613	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccc(CCC(F)(F)F)cc1	752143109	YWLXKSQXHWKKNR-UHFFFAOYSA-N	405.189	4.840	50	20	HJGD	
COc1cc(Cl)c(C=NNC(=O)c2cccc(Br)c2)cc1Cl	753933734	ZOAFTUVXNVQBMH-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
C[C@@H](CCCC(F)(F)F)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	755295428	DUYHHVWNSZWFHM-AWEZNQCLSA-N	408.424	4.810	50	20	HJGD	
C[C@H](C(=O)NNc1ccccc1Br)c1cccc(C(=O)c2ccccc2)c1	761996867	SIEJEJJHYSIBCZ-HNNXBMFYSA-N	423.310	4.927	50	20	HJGD	
COC(=O)c1csc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762455800	FNFOQJOLHDJVCK-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(CSc3ccccc3)cc2)c([N+](=O)[O-])c1	768335768	ODMPEUPSTTXOOH-UHFFFAOYSA-N	409.467	4.653	50	20	HJGD	
COc1ccc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1O	769295376	VXHJUXJOVHWLHP-KGENOOAVSA-N	421.541	4.890	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2nc(-c3ccccc3)no2)cc1)c1ccccc1	788511081	OGEDIEFCLUDCLI-INIZCTEOSA-N	400.438	4.634	50	20	HJGD	
N#C/C(=C\c1cnc(-c2ccc(Cl)cc2)s1)C(=O)Nc1ccc(C(=O)O)cc1	789131113	UHROTUPEGAOFKH-NTEUORMPSA-N	409.854	4.707	50	20	HJGD	
CC(C)CCOc1cccc(NC(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)c1	792435223	OKPNVJJWHQBIQG-UHFFFAOYSA-N	410.301	4.500	50	20	HJGD	
Cc1nc(-c2ccccc2NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)cs1	794129268	IQKWNNBUMYYPBJ-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](c3ccccn3)C2)c(C)n1-c1ccccc1F	798718603	FGUWKSQCNXRHRS-BWCLHNGZSA-N	414.484	4.551	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1F	799259673	GVLVKFMSQZPTJM-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1[nH]ccc1-c1c(Cl)cccc1Cl	799695650	GECJPRDJZKVWSV-UHFFFAOYSA-N	404.282	4.750	50	20	HJGD	
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NNc1ncccc1F	804212768	DXXWWWCZEKOBKB-UHFFFAOYSA-N	410.399	4.723	50	20	HJGD	
Cc1noc(C)c1C(C)(C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	809102857	SWYQOZFWXYXEOX-XDHOZWIPSA-N	420.488	4.797	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2	817013444	MUPAGYWBCCSDJD-UHFFFAOYSA-N	420.309	4.642	50	20	HJGD	
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NNc1ccc(F)cc1F	818787380	GRSKADGLXAXJKQ-UHFFFAOYSA-N	413.371	4.793	50	20	HJGD	
COc1cccc(-c2nc(C=NNC(=O)Cc3cccc4ccccc34)cs2)c1	839424390	JRXHXIRMKNZSCK-UHFFFAOYSA-N	401.491	4.665	50	20	HJGD	
CN1/C(=C(\C#N)C(=O)CSc2nc(-c3ccccc3)cs2)Nc2ccccc21	914527712	RRDWBYRALPBFNA-HMMYKYKNSA-N	404.520	4.768	50	20	HJGD	
O=C(NNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1ccccc1F	914708635	CNJWJCLUBWFHRX-UHFFFAOYSA-N	416.783	4.787	50	20	HJGD	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=O)Nc2ccccc2C)cs1	915971492	YECPUPYQVZCJSG-UHFFFAOYSA-N	421.526	4.909	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	915982499	GAPWIWYMQKEECS-JVVDOCDTSA-N	406.436	4.552	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3F)c2C)c(C)c1	915984260	URIGATZVRSZQDQ-LICLKQGHSA-N	406.436	4.930	50	20	HJGD	
COc1cc(OC)cc(C(=O)NNC(=S)Nc2c(C(C)C)cccc2C(C)C)c1	915995571	ZKXDNDIPWNEYRT-UHFFFAOYSA-N	415.559	4.582	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(OC(C)C)cc2)c1C	918532302	NSPZHQASPDKXHS-WQFTWXBESA-N	410.514	4.750	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2F)c1)C(=O)c1ccc2c(c1)OCO2	920068037	HLNQTDCTYGZNRV-VXLYETTFSA-N	401.393	4.923	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccccc2)oc1C1CC1	1318435417	OVNLCZYTYLVNGI-UHFFFAOYSA-N	421.844	4.679	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(-n4cnnc4)c3)c2C)c1	1339474303	VAESHUIXBVULTN-MTJSOVHGSA-N	422.492	4.529	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1	1815314616	NFTRYTNPWXSOIH-TZMCWYRMSA-N	422.879	4.542	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(SC(F)(F)F)cc2)cc1OC	22016214	CSBYHNJADOTQQA-UKTHLTGXSA-N	408.401	4.861	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2C)c1C	24001445	XWIPXLQXUYPKKB-DBRLUCFCSA-N	407.514	4.609	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2C)c1C	25734693	KTSLDILBHNTNOT-YRXLECQKSA-N	421.541	4.999	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccccc2F)C2CC2)c(C)n1C[C@@H]1CCCO1	96946364	JMNIGFSZHBPUBP-VZIOXZNFSA-N	421.516	4.521	50	20	HJGD	
Cc1cc(SC#N)ccc1N/C=C1\C(=O)N(c2ccccn2)C(=O)c2ccccc21	136236160	ABSGTPHVMVCCSE-UYRXBGFRSA-N	412.474	4.603	50	20	HJGD	
Cc1cc(C)c(NNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)c1	726720089	XODWMVMMXQWFKE-UHFFFAOYSA-N	418.488	4.508	50	20	HJGD	
N#Cc1ccc(OCc2ccc(C(=O)NNc3ccccc3C(F)(F)F)o2)cc1	728019842	IPRJXUISQWFDEZ-UHFFFAOYSA-N	401.344	4.506	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)N1CCC[C@H]1C1CCC1	728406232	GZKLEWANLQAOAF-SUMWQHHRSA-N	420.884	4.636	50	20	HJGD	
CN1/C(=C\C=NNC(=O)c2cc(F)ccc2Br)C(C)(C)c2ccccc21	728436485	SFHJJVIFRJCCCC-ISOQJZRLSA-N	416.294	4.615	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(F)cc3F)nn2-c2ccccc2)cc1	733362262	UVAGMNKTZDXLPC-UHFFFAOYSA-N	420.419	4.583	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cc2ccccc2s1	734258557	HKCYNGUIUKDKST-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1cccs1	737469080	CQGYXVAKZJOEHS-CQSZACIVSA-N	414.914	4.545	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3ncccc3C(F)(F)F)cc2)cs1	740092991	DUPPYTNMHZYQRD-UHFFFAOYSA-N	424.473	4.915	50	20	HJGD	
C[C@](O)(CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccsc1	741056568	HLMCYTFHMLIAMZ-HIFRSBDPSA-N	424.897	4.997	50	20	HJGD	
O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	741883315	OMZYJAKVIMKXMG-JRMGEIGVSA-N	416.565	4.767	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccccc2OCC(F)(F)F)cc1	744572170	XMDNDTSTKAFACL-BOPFTXTBSA-N	405.372	4.677	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1	745838059	GAGRWTKEZFUKAM-QGZVFWFLSA-N	424.328	4.733	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc[nH]2)c(C)n1-c1cccc(C(F)(F)F)c1	746320134	UYUQXCOWVYHJLR-LICLKQGHSA-N	412.415	4.664	50	20	HJGD	
CN(C)c1ccc(-c2cncc(C(=O)NNc3ccc(C(F)(F)F)cc3)c2)cc1	747588233	FJZQSHVOZPJLLG-UHFFFAOYSA-N	400.404	4.590	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1sc(-c2cnn(C)c2)nc1C	748672777	KYSCIIPPEBVSMF-UHFFFAOYSA-N	411.556	4.802	50	20	HJGD	
C/C(=C/C(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(F)cc1	749265472	LZFXUAJABBGEDT-ICFOKQHNSA-N	424.497	4.514	50	20	HJGD	
Cc1cccc([C@@H](NC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)C(C)(C)C)c1	749617399	XHJIPWBQBXFLCQ-QGZVFWFLSA-N	420.460	4.720	50	20	HJGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(Br)cc1CC	753173850	NZAJBJTVTSKWDF-UHFFFAOYSA-N	424.320	4.789	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	755853096	TXDIBBOXHUZCAW-QUJNKJAPSA-N	413.387	4.754	50	20	HJGD	
Cn1ccnc1[C@@H]1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	756294956	YZEZTNVIPYIWLK-IAQYHMDHSA-N	418.872	4.661	50	20	HJGD	
O=C(NNC(=O)C1(c2ccc(F)cc2F)CCCC1)c1c(Cl)cccc1Cl	760443957	WPSGXQPFBVFJMK-UHFFFAOYSA-N	413.251	4.545	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccccc1NCc1ccco1	764395978	NZJBIXMYFXNIHW-UHFFFAOYSA-N	422.229	4.689	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)[C@@H](Br)C(C)(C)C)cc1	768252894	NJUQXAUVOTUGJW-OAHLLOKOSA-N	413.356	4.502	50	20	HJGD	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NNc1ccc(F)cc1Br	769957329	DOMHTMNZGCWLIV-UHFFFAOYSA-N	423.286	4.640	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc3ccc(Br)cc3n2)cc1	771522330	ZFSPJAFIFZIGAN-YVLHZVERSA-N	406.283	4.529	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCc2sccc2C1	772935509	WSLAEFSXKYSMQY-UHFFFAOYSA-N	412.405	4.929	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1cccc(Cl)c1SC(C)C	773767573	GOYZLMMKHGEEEC-UHFFFAOYSA-N	412.342	4.884	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)c1ccc(-c2cccc(C(C)C)c2)o1	776338708	HGBXPKSSTQXUOG-UHFFFAOYSA-N	409.511	4.710	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1ccc(Br)cc1C(F)(F)F	776487052	IURWXHRJAJBYFR-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	776646029	XFCNDUIZASZUHX-LDADJPATSA-N	411.417	4.610	50	20	HJGD	
CN(C)Cc1ccnc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777669641	JEIYQNMOJLJKBR-UHFFFAOYSA-N	417.425	4.601	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1Cl)S(=O)(=O)c1ccc(Cl)cc1	789130641	PKCDPFVEROYBNV-ZDLGFXPLSA-N	418.305	4.577	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cccc(F)c3[N+](=O)[O-])sc2C)cc1	791071030	VCBXLVISARARKB-UHFFFAOYSA-N	401.419	4.536	50	20	HJGD	
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	797841808	QLEPNZIJKFNXQR-BXUZGUMPSA-N	407.426	4.604	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)c1ccccc1	799620795	JEVXRVHJEDRFEX-UHFFFAOYSA-N	416.308	4.727	50	20	HJGD	
N#Cc1ccccc1Sc1ccccc1C(=O)NNc1nccnc1C1CCC1	805465211	XHSGMTYOTOQUGC-UHFFFAOYSA-N	401.495	4.524	50	20	HJGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2sc3c(Cl)cccc3c2C)n1	814708484	HYVBOHFUPVHMDF-UHFFFAOYSA-N	404.948	4.512	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=C3CC[C@H](C(=O)O)C[C@@H]3C)c3ccccc3n2)cc1	814713594	DKJVUBFQUVECEL-WMZOPIPTSA-N	415.493	4.817	50	20	HJGD	
COc1ccc(NNC(=O)c2sc(-c3ccc(C)o3)nc2C)c(C(F)(F)F)c1	816703369	BJWQZPSRHXSDOF-UHFFFAOYSA-N	411.405	4.804	50	20	HJGD	
Cc1cccc2cc(C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)c(Cl)nc12	816924144	BQPRVRLFHHUZJP-UHFFFAOYSA-N	414.252	4.657	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1	857545853	KCNZHEZGYZAKOH-LLVKDONJSA-N	400.832	4.909	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(C(C)C)cc2)c(C)n1C[C@H]1CCCO1	912673641	FBCJIKDUKFDVGL-TZPPZLRXSA-N	419.569	4.973	50	20	HJGD	
N#C/C(=C/c1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1ccccc1Oc1ccccc1	912773705	OYWPCXMJGBHVSI-SILNSSARSA-N	423.472	4.917	50	20	HJGD	
Cc1nc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c2ccccn12	914601047	GGTVMUSQEWTMBG-UHFFFAOYSA-N	418.884	4.639	50	20	HJGD	
CC(C)c1ccc2cc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1	915258885	VGWVWKRIRXVKIT-UHFFFAOYSA-N	406.364	4.975	50	20	HJGD	
COc1cc(C(=O)NN=C(C)C(c2ccccc2)c2ccccc2)cc(OC)c1OC	916287832	ULTFFBCUGSKYLY-UHFFFAOYSA-N	418.493	4.650	50	20	HJGD	
O=C(NNC(=S)Nc1ccccc1Oc1ccccc1)c1cc2c(s1)CCC2	917570770	KEDBHOFWZJCDHS-UHFFFAOYSA-N	409.536	4.661	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cccnc2N2CCCCC2)c1C	921034635	WVXQUIOOAJDVSG-KQWNVCNZSA-N	419.573	4.514	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(F)(F)c3ccco3)CCC2)cc1	1790487972	BHPPKODCMFUORN-OAHLLOKOSA-N	410.848	4.523	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(F)F)c3)CCC2)cc1	1790488295	ZLJIZBAIJQDMRP-MRXNPFEDSA-N	421.875	4.784	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)[nH]n1	1820850946	KEIVHZGNTUBDNC-WMLDXEAASA-N	423.344	4.695	50	20	HJGD	
Cc1cc(C)n(-c2ccc(CCNC(=O)CCCC[C@H]3CCSS3)cc2)n1	46856931	UUURGVGFJKASDO-FQEVSTJZSA-N	403.617	4.862	50	20	HJGD	
CCSc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc[nH]2)cc1	725855199	WCMUWQUZAUASJX-UHFFFAOYSA-N	415.522	4.743	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(Cl)ccc2Cl)c1C	726388824	IXVRUKSGDUBBRJ-KHAFMBKQSA-N	422.312	4.665	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1	727846317	ABNJQKJKLHZMSN-AWEZNQCLSA-N	400.693	4.742	50	20	HJGD	
O=C(NN=Cc1ccc(-c2nc3ccccc3s2)o1)c1cccc(OC(F)F)c1	728433266	AAJBRLRYMJCUKL-UHFFFAOYSA-N	413.405	4.922	50	20	HJGD	
COc1cccc([C@H](C)N2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)c1	728891079	HHBBBYUHXYCUJR-PXNSSMCTSA-N	408.633	4.615	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c(C)n1CC(C)C	732646614	GGCLKFYEPVGOBN-ODLFYWEKSA-N	422.504	4.573	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(Br)cc3Cl)on2)cc1	733808357	OSWYSZQPZFPEDZ-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
Cc1cc(NNC(=O)c2csc(Cc3ccccc3)n2)ccc1Br	734251338	NFVVWECUTQDBNQ-UHFFFAOYSA-N	402.317	4.562	50	20	HJGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	734259185	SMABHQGXFVAYJC-AWEZNQCLSA-N	407.440	4.607	50	20	HJGD	
CCCCc1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1	734260419	MVKBPXAALVWEOO-UHFFFAOYSA-N	415.419	4.657	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCSC[C@H]2c2ccccc2)c1C	734396376	GKQABVRQHBUOST-XJCUSZMCSA-N	423.582	4.536	50	20	HJGD	
N#C/C(=C/c1ccc(-c2c(F)cccc2F)o1)c1nc(N)nc(Nc2ccccc2)n1	734483996	QAAHXRCVVJVYBW-QBFSEMIESA-N	416.391	4.800	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)c1C	738507295	JUEPDGLWAGVMCE-ZDUSSCGKSA-N	409.477	4.834	50	20	HJGD	
CC[C@H](Cc1ccccc1)N(C)C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	741964925	HUFHZYPBRKTLPB-KEZYJQNYSA-N	419.569	4.671	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC3(CCOCC3)C2)c(C)n1-c1cccc(Cl)c1	743784067	QDKGRAQHQHNQDC-MOSHPQCFSA-N	423.944	4.684	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cc(Oc3ccccc3)ccn2)cc1	746021500	FZWPMVGMGGCVJQ-UHFFFAOYSA-N	420.538	4.848	50	20	HJGD	
O=C(NNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2)c1c(Cl)cccc1Cl	747876487	FDGUIMTUMREZCM-PONJGIIJSA-N	417.336	4.804	50	20	HJGD	
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NNc1cccc2c1CCCC2	748580728	LHWWCBNGGGKZHH-UHFFFAOYSA-N	410.905	4.735	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccc(-n2nccc2-c2ccccc2)c1	748637239	JMOXVVWJKHXESF-UHFFFAOYSA-N	420.419	4.898	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CCCC2)c1C	749137070	CXKRVUXQYJJSJO-BFERYNQYSA-N	411.468	4.553	50	20	HJGD	
Cc1ccccc1[C@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)C(C)(C)C	751104236	ZPVBIPQPYXSBEB-KRWDZBQOSA-N	420.460	4.720	50	20	HJGD	
N#Cc1ccccc1OCc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)o1	752810651	DFZPMBWDAKAIRT-UHFFFAOYSA-N	402.237	4.794	50	20	HJGD	
CCn1nccc1/C=C(/C#N)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1	753683525	STUQCGBUHOXUMX-GHXNOFRVSA-N	418.309	4.879	50	20	HJGD	
CCCOc1cn(-c2ccccc2)nc1C(=O)NNc1cc(C(F)(F)F)ccc1F	754153919	RMIHDOPOOXIATR-UHFFFAOYSA-N	422.382	4.576	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](c2ccccc2F)C2CCCC2)c2ccccc2n1	756195096	IHUOGKMUMBNHJB-QFIPXVFZSA-N	420.488	4.558	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c1C	756785131	UAZUHRKVKZESLW-JCMHNJIXSA-N	423.532	4.769	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cc2ccccc2nc1Br	760185647	HHIAATPCIGTBBF-UHFFFAOYSA-N	414.288	4.756	50	20	HJGD	
COc1ccccc1SCC(=O)NN=Cc1ccc(-c2ccccc2OC)cc1	761271448	HAPIIBQQVBKADF-UHFFFAOYSA-N	406.507	4.613	50	20	HJGD	
O=C(CCCc1nc(-c2ccc(F)cc2)no1)NNc1c(Cl)cccc1Cl	763608944	JQDPYKPIOXYZMD-UHFFFAOYSA-N	409.248	4.649	50	20	HJGD	
CC(C)n1cc2c(n1)[C@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)CCC2	765934463	XOBUFDBVWXGTSX-CQSZACIVSA-N	400.285	4.614	50	20	HJGD	
CCC(=O)c1ccc(OC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c(F)c1	766551252	SZMAIOBSWHYTNW-DEWISIQVSA-N	424.472	4.528	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1ccn(-c2ncccc2F)n1	770080147	OTIVXMBWGLVKDC-UHFFFAOYSA-N	415.643	4.515	50	20	HJGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNc1ccnc(Br)c1	771551590	GJNQKCGRKCYAJD-UHFFFAOYSA-N	424.298	4.617	50	20	HJGD	
CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773666573	CSBITBSWNHATMR-UHFFFAOYSA-N	409.380	4.726	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F	773770659	KIOCUCCHEGXEAA-UHFFFAOYSA-N	420.268	4.698	50	20	HJGD	
CN1C(=O)CCc2cc(/C=C(\C#N)C(=O)Nc3ccccc3Oc3ccccc3)ccc21	773906444	FTXPDOFVFLQGBT-CAPFRKAQSA-N	423.472	4.934	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	774336757	MUGAMFNYGXFGNO-ZDUSSCGKSA-N	407.820	4.549	50	20	HJGD	
COc1cc(/C(C#N)=C\c2c(C)nn(Cc3ccccc3)c2Cl)ccc1[N+](=O)[O-]	774558361	BICITPWLAQAAOB-YVLHZVERSA-N	408.845	4.874	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ncc(Cc2ccc(F)c(F)c2)s1	775457352	BVHPIPPCPNCMTI-UHFFFAOYSA-N	411.437	4.709	50	20	HJGD	
CC(C)OCCOCc1cccc(NC(=O)NNc2cccc(C(F)(F)F)c2)c1	775571778	LNWOSYGWNCFYPI-UHFFFAOYSA-N	411.424	4.796	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)N(C1CCCC1)C1CC1	779545877	HGGAOHFWGLYXLZ-QGZVFWFLSA-N	420.884	4.778	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(C3CC3)cs2)c1C	781178673	DPYKJKRNOVCCNG-NWYKZCAJSA-N	413.543	4.858	50	20	HJGD	
N#C/C(=C\c1cccn1Cc1ccccc1C#N)C(=O)Nc1ccccc1C(F)(F)F	782198272	ZRIACKAQZRPGNU-LDADJPATSA-N	420.394	4.973	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCC[C@H]1c1ncc[nH]1	782985508	OFQJUVUJEASYHY-ZDUSSCGKSA-N	417.425	4.983	50	20	HJGD	
Cc1cnccc1CCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782988274	QRNNNRUDSIMNPD-UHFFFAOYSA-N	402.410	4.568	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)cc(Cl)c1OC	787151751	QWVBHTDDYHHMAD-NGWPFTMJSA-N	414.889	4.540	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccnc(Oc2ccc(F)cc2F)c1	788743381	JBRCSVPZCUTAQA-UHFFFAOYSA-N	413.409	4.910	50	20	HJGD	
COc1cc(NNC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)ccc1Cl	788904243	HYSHCUMSGXSLBL-UHFFFAOYSA-N	416.840	4.501	50	20	HJGD	
CCNC(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1C	790129670	PKCMJCFCSFPSBL-NDENLUEZSA-N	421.545	4.756	50	20	HJGD	
CO[C@@H]1CCOc2c(NC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)cccc21	791094809	SXQUFFOIEUTADY-BHSBJAHRSA-N	407.514	4.777	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc(C(F)F)c2)c1C	791761169	DRQKXJLDYAGPMC-VYXQJKENSA-N	402.441	4.900	50	20	HJGD	
C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	796115785	QZVWXSIGRJEPKU-STQMWFEESA-N	420.469	4.591	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C	812767052	BMVOZTLNMYKMOQ-UHFFFAOYSA-N	404.536	4.987	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CCC#N)c(C)n1-c1cc(Cl)ccc1Cl	843417745	KDSDJVOIUZOIDQ-YBEGLDIGSA-N	401.297	4.680	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)[C@@H](C)c1cccc(OC)c1	914509865	FWAVVOHPGGUXAM-IVGYBKNSSA-N	423.557	4.838	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OC(=O)c1cccs1	915843804	DVIGAGDUAWEWSZ-ATVHPVEESA-N	418.474	4.830	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2csc(-c3ccc(OC)cc3)n2)cc1	916610120	IEUUXEHENPPCMR-LDADJPATSA-N	420.490	4.868	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C#N)C(=O)Nc2ccccc2C)cs1	917562215	VZVMAQXLSXCIIS-WJDWOHSUSA-N	420.469	4.821	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc2ccccc2n1	918709184	ZSZJMGNMTWHKBH-UHFFFAOYSA-N	422.897	4.688	50	20	HJGD	
Nc1ccc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(Cl)c1	1117679070	LWZPOMDMABRYAO-UHFFFAOYSA-N	415.884	4.539	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(COc3ccccc3C#N)o2)c(C)n1CC(C)C	1327876722	ZXRFAUWXZKYPDE-JMIUGGIZSA-N	401.470	4.659	50	20	HJGD	
O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	1338307448	BLPWSDRIFLGGRW-UZLBHIALSA-N	404.601	4.675	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3[nH]cc4c3CCC4)cc2)CCC1	1790003086	LIPBZWIOUVNXRX-LJQANCHMSA-N	413.949	4.659	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccoc3)CCC2)cc1	1790488823	DVGGGYOSNKCGSG-VUFXHXBKSA-N	421.324	4.663	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)cc1F	1791606866	IEVOWZCOTUNNBP-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(C)c2)CC1	1824614452	CSSVOLUKFJWLNP-CTNGQTDRSA-N	422.972	4.775	50	20	HJGD	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	726933378	KPTWFJUAPWYACS-AQTBWJFISA-N	415.884	4.971	50	20	HJGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)cc1	729054390	UKOXSSQZYYCRSE-INIZCTEOSA-N	417.600	4.679	50	20	HJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2C(=O)O)c1	731562483	CJDHQDYTQYJQLJ-PEECEISESA-N	418.493	4.566	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ncc(C(C)C)o2)c(C)n1-c1ccc(F)cc1	733412966	YRPYGKFWAHECKX-ZDLGFXPLSA-N	407.445	4.995	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNc1cnnc2ccccc12	733808995	RCBQBDNMMRLZRK-UHFFFAOYSA-N	419.488	4.839	50	20	HJGD	
C[C@@H](CCC1CCCCC1)NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	734517716	USEMVELKGNAXFU-KRWDZBQOSA-N	413.518	4.552	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)c1cccc2ccccc12	741575381	LUUSBCXXCALGGS-UHFFFAOYSA-N	402.425	4.633	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(NC(=O)c2ccccc2)nc1	742105207	SLGRAJPDWOHOPQ-QGZVFWFLSA-N	401.557	4.987	50	20	HJGD	
C/C(=C\C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	742481866	BWYXQYGUXFLHDI-JXMROGBWSA-N	417.214	4.877	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1	746059329	RMEJOVATTKCGHI-XDUBLRSXSA-N	409.829	4.610	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	746691638	FACKPDUFMXYRBJ-UHFFFAOYSA-N	414.412	4.556	50	20	HJGD	
O=C(NNc1ccccc1Br)c1ccccc1C(=O)c1ccc(F)cc1	748068214	JRXBDOKHQNCULH-UHFFFAOYSA-N	413.246	4.576	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1	748117437	CLLYVUKUWJOVHF-UHFFFAOYSA-N	400.463	4.749	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)n1	748336167	SNSAOPJYBTYNED-SFHVURJKSA-N	402.882	4.554	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc3c(c2)CC(=O)N3)c1C	748506639	GHOKQYDNOQPSAS-WCEBZYJUSA-N	405.498	4.611	50	20	HJGD	
CCN(Cc1ccc(C(=O)NNc2ccc(Br)cc2C)cc1)C(C)C	748732396	UVPGTQIOOKVNSZ-UHFFFAOYSA-N	404.352	4.745	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3cccc4cnccc34)s2)cc1	748773228	DSXJGAFJWBNWOU-UHFFFAOYSA-N	404.495	4.822	50	20	HJGD	
CN1CCN(c2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2Cl)CC1	749227194	XVTHMISMHXPVKL-MRXNPFEDSA-N	414.040	4.744	50	20	HJGD	
CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(CCCCl)cc2)c1	751268715	MCEAFTGTKVEORU-UHFFFAOYSA-N	415.342	4.661	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccccc1NCc1cccnc1	754499356	SBRVSEBIGISLCL-UHFFFAOYSA-N	404.367	4.609	50	20	HJGD	
CCc1noc(CC)c1CC(=O)NNc1c(Cl)cc(Br)cc1Cl	755350364	TZZADWPWKSYARG-UHFFFAOYSA-N	421.122	4.555	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2ccc(Br)cc2Cl)c1C(F)F	759661608	CNHCYUKJNOVABU-UHFFFAOYSA-N	421.673	4.650	50	20	HJGD	
C=CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)cc1OC	765614051	QEOKJUAHKPPURM-ZROIWOOFSA-N	415.243	4.995	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3ncnc4ccsc34)cc2)n1	766670611	SQAMQQLXTKWFJG-UHFFFAOYSA-N	413.553	4.505	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	774122222	UZHRIUAUTFNRBG-PTNGSMBKSA-N	412.898	4.713	50	20	HJGD	
C[C@@H]1CCCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1	775172993	WHYZJDPUQPPDHG-HNMKQIAWSA-N	421.932	4.673	50	20	HJGD	
CCCN(CCC)C(=O)c1ccc(NC(=O)NNc2ccc3ccccc3n2)cc1	775523014	DFXLMYNEXNEZEU-UHFFFAOYSA-N	405.502	4.646	50	20	HJGD	
O=C(COc1ccc(C2SCCCS2)cc1)NNc1ccc2ccccc2n1	777467104	SCSNRDCCXWUUGM-UHFFFAOYSA-N	411.552	4.626	50	20	HJGD	
N#CC1=CCN(C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1	780686958	JAGCNWXQUZJZED-UHFFFAOYSA-N	403.913	4.958	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(C(=O)c2cccc(O)c2)cc1	780951310	AKUYQSGFLABXFP-UHFFFAOYSA-N	401.249	4.687	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2sccc2Cl)c(C)n1C[C@@H]1CCCO1	785908219	MADVHCNLFPNYSV-STKCSNAVSA-N	404.919	4.649	50	20	HJGD	
CCCCCOc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1OC	787009420	ZELFMAUDMYPROS-HDAKKWKLSA-N	408.498	4.754	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1O	787144061	DTUWCUZMTOOVTR-HOVAHTAHSA-N	421.280	4.501	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(C)(C)C)ccc2OC)c1C	789978617	ANGNNQQYQXUHAP-UYRXBGFRSA-N	409.530	4.603	50	20	HJGD	
CC(C)c1c(C(=O)NNc2cccc(C(F)(F)F)n2)cnn1-c1ccccc1Cl	792341356	AFNAFMDKLKOYNK-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cccc(Cl)c1Br	792502321	KDSGISPODOYNAY-UHFFFAOYSA-N	409.593	4.665	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(Cl)c1	793318107	PQKDRGRSUCNOKI-CTYIDZIISA-N	407.301	4.584	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)[C@H]2CCCOC2)cc1	794883342	KSDIYCKCQSMESL-DHNIJCFSSA-N	411.505	4.810	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)c2c(F)cccc2F)c(C)n1C[C@@H]1CCCO1	797030040	LLWRUNGMXIEFOI-POCPDCKQSA-N	414.452	4.774	50	20	HJGD	
CO[C@@]1(C)CCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	797376254	MXBUJXZLLLRDJT-INIZCTEOSA-N	416.412	4.700	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1C	798008688	PWJFAZRDBTVIEQ-KXYSSQNGSA-N	411.933	4.545	50	20	HJGD	
Cc1c(C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)sc2cc(F)ccc12	805176676	YSEYKQWLTXFPLB-UHFFFAOYSA-N	417.531	4.767	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCCC[C@@H]1c1cc[nH]n1	807305452	VZUXGGHUWLNZFZ-CQSZACIVSA-N	424.395	4.759	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1c(F)cc(C(F)(F)F)cc1F	809997685	DBYGFRJOAUWZEH-UHFFFAOYSA-N	401.722	4.942	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1	813047020	MLVFKERIFRPFQW-YQQAZPJKSA-N	412.559	4.560	50	20	HJGD	
CCSc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)c1	814143806	ILPHHGDISPPPIK-CTPANLQCSA-N	411.571	4.648	50	20	HJGD	
N#Cc1cc(F)c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1	817015248	TYKVWUACYZNHQL-UHFFFAOYSA-N	409.236	4.631	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N(C[C@H]1CCOC1)C1CC1	915341185	OJEKWKOSMDPVQK-IAQYHMDHSA-N	408.873	4.939	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1nc2ccccc2nc1Cl	915852056	JKGGBKZJKDRMNG-VKAVYKQESA-N	417.900	4.819	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2c(C(C)C)nn(C)c2Cl)cc1	915984071	HDJFYUBXWAPHFF-LFIBNONCSA-N	422.920	4.545	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccc(F)cc2F)c1C	915984182	QGZPQZTXDOIZLG-WJDWOHSUSA-N	422.435	4.712	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(COc3cccc(Br)c3)o2)cc1	916162193	GMOCKYPFEFIDJZ-UHFFFAOYSA-N	401.260	4.686	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NNc2ccccn2)cc1	1319866797	LLCCTGJEBHCJRI-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(Br)c(F)c1)c1nc(C(C)(C)C)cs1	1320354492	VKODZIVRZJMIBM-VIFPVBQESA-N	415.332	4.730	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H](c1cccc2ccccc12)C(F)(F)F	1324160153	UMAUAHUNCXIHMK-QGZVFWFLSA-N	421.806	4.741	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cn3)CCC2)cc1	1790487530	ZWOQCEUXLYEGQQ-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
Cc1ccccc1CCC(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1791342771	YCKXLMOGRKWIOI-FQEVSTJZSA-N	402.897	4.596	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)cc(C)cc2C)[nH]n1	1820860029	IQNSSZXPHVICEQ-SJLPKXTDSA-N	416.953	4.658	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](Cl)CCC)CC1	1824139090	FHYULKIHUVELLG-NHCUHLMSSA-N	409.014	4.782	50	20	HJGD	
CC1(C)CCC(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)CC1	1827610612	CQFXIWIKDNQZMI-ICSRJNTNSA-N	414.993	4.747	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C)CC1	1832725645	PTVHOACETIHINV-LEWJYISDSA-N	422.972	4.775	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1	16437225	XMSKARJJZCRQMV-DTQAZKPQSA-N	406.873	4.779	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1)O[C@H](C)C2	212965235	ORCIBKQHXHCLPL-PWDRSIHYSA-N	416.449	4.879	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(CCN2CCSCC2)cc1	302965738	AJNOIVNCYBIDFP-LJQANCHMSA-N	410.674	4.931	50	20	HJGD	
CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1C	727974216	IQHZLINLMFJEQR-NTEUORMPSA-N	411.918	4.842	50	20	HJGD	
Cc1c([C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C(C)C)oc2ccccc12	732704671	GCIZDIQOWSBLPN-QFIPXVFZSA-N	407.514	4.792	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3nccs3)c2C)c1	733255990	GDJAFRMVIOFESH-ZHZULCJRSA-N	404.539	4.515	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1ccc(-c2nc3ccccc3s2)s1	733810291	CCGQDUCUPWKSJO-UHFFFAOYSA-N	403.492	4.725	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)c3ccc(O)c(Cl)c3)c2Cl)c1	734094322	LKWKPYKIAXJHIT-UHFFFAOYSA-N	417.296	4.574	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cc1	734815431	NAWDUDKOQLGJCR-BOLOISJXSA-N	410.539	4.678	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](N3CCCC3)CC2)c(C)n1CCC(C)C	737691192	INADSVOTFRMALR-YLXJWSIRSA-N	410.606	4.535	50	20	HJGD	
CCc1cc(NNC(=O)c2cccc(Nc3ccccc3)c2)nc(-c2ccccn2)n1	738530425	GZFUZWLETKUQKH-UHFFFAOYSA-N	410.481	4.602	50	20	HJGD	
O=C(CCc1cccc(OC2CCCC2)c1)NNC(=O)c1cccc2ccccc12	741573123	WEMVUEZKICUICF-UHFFFAOYSA-N	402.494	4.555	50	20	HJGD	
CSc1ccc(F)cc1CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	745928524	PFCKYRXJMQYTDQ-UHFFFAOYSA-N	424.501	4.751	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Cl)c(F)c2)ccc1OCc1ccccc1	746699002	UKXRLIBUGKKBHS-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
Cc1cccn2cc(COc3ccccc3C(=O)NNc3ccc(Cl)c(F)c3)nc12	746700211	GXMBTPKWQSVNHS-UHFFFAOYSA-N	424.863	4.771	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C(=O)N1CCCC1	747032721	MQLHZOSNMFSEBN-STZFKDTASA-N	422.488	4.874	50	20	HJGD	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NNc1ccccc1F	748057290	ORQXQBPIUXSTEU-UHFFFAOYSA-N	409.845	4.592	50	20	HJGD	
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NNc1cccc(F)c1	748089131	CXRYDAZBEOSGKK-UHFFFAOYSA-N	404.420	4.503	50	20	HJGD	
Cc1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1NC(=O)c1ccncc1	748512297	OWVUXOUUQCDVCV-UHFFFAOYSA-N	415.280	4.706	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(-c3ccccc3)on2)c1C	749009668	HQXLZMLMODOWNH-BYINCCNUSA-N	419.481	4.618	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cc(Br)cc(C(F)(F)F)c1	756013208	UNXNMLHIJVLVIX-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
Cc1ccc(COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1C	758341643	LDVLWJVWUBDDPM-HMAPJEAMSA-N	410.477	4.731	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)[C@@H](C)Cc1ccccc1[N+](=O)[O-]	761254028	KZCZKSYNRGVAMS-INIZCTEOSA-N	421.453	4.751	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1	765066535	WBFJMFFNKFROND-INIZCTEOSA-N	411.933	4.809	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2Cl)cc1	767717890	PIRYZOVFPFZPDK-JYRVWZFOSA-N	418.678	4.607	50	20	HJGD	
O=C(NNc1ccccc1Br)c1ccc(Br)c(Cl)c1F	768093681	NZWHKXLRDZUYHX-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(OC(F)F)cc1OC(F)F	771115905	GRVPGXHCMYGWNK-UHFFFAOYSA-N	411.714	4.831	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NNc1ncc(Cl)cc1Cl	773673984	VPAUEOFMGHWNMO-UHFFFAOYSA-N	409.317	4.717	50	20	HJGD	
COc1c(Br)cccc1C=NNC(=O)c1c(Cl)cccc1Cl	774386380	YABICKDJKYKTOW-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1cccc2c1CN(c1ccccn1)C2	775687301	CBRBPVSEKNSTKE-UHFFFAOYSA-N	413.403	4.769	50	20	HJGD	
Cc1ccc(OCc2nc(CC(=O)NNc3nc4ccccc4cc3C)cs2)cc1	777481420	GFIYULCILUVJBB-UHFFFAOYSA-N	418.522	4.573	50	20	HJGD	
CN(CCc1nccs1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778012142	GJUOHLAVDVOTLG-UHFFFAOYSA-N	408.439	4.664	50	20	HJGD	
COc1ccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	782973327	BOLGHHDDPMVTFJ-UHFFFAOYSA-N	403.394	4.831	50	20	HJGD	
C[C@@H](C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccco1	783464008	XTCGUPNKEWZFTA-SECBINFHSA-N	405.366	4.546	50	20	HJGD	
O=C(NNc1nccc2sccc12)C(=O)Nc1ccc(Cl)cc1-c1ccccc1	785994074	KYXJOQBDPAPXEH-UHFFFAOYSA-N	422.897	4.699	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]	787147745	MMLADJXPNMIRRI-NUBYWOLOSA-N	420.252	4.695	50	20	HJGD	
COc1cccc([C@@H](C)CCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1	788746711	UYUAAFOVJBAYBZ-ZDUSSCGKSA-N	409.313	4.737	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(CCC(F)(F)F)cc1	792435739	UOQYKTBAWXJGCZ-UHFFFAOYSA-N	420.218	4.570	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(\C#N)C(=O)c1ccc(OC(F)F)cc1	794711445	LNUJLGRDHUEPSU-GXDHUFHOSA-N	414.799	4.620	50	20	HJGD	
CC[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC)c(OC)c1	796255039	MRFVWANEOCQBBK-QHCPKHFHSA-N	423.493	4.759	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1	797769505	GLXQGVCZGDHSSV-JVVYVMHDSA-N	415.262	4.564	50	20	HJGD	
O=C(NNC(=O)c1csc(-c2ccc(Cl)s2)n1)Nc1ccc(Cl)cc1	802019923	ARBNARWLDBRBLG-UHFFFAOYSA-N	413.311	4.645	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1c(F)cccc1Cl	804209403	YLTPTEVVDGPCKY-UHFFFAOYSA-N	410.758	4.712	50	20	HJGD	
O=C(Nc1nc(C2CCOCC2)cs1)NN(Cc1ccccc1)c1ccccc1	806729416	ZJIMOCFXSDRBKM-UHFFFAOYSA-N	408.527	4.780	50	20	HJGD	
CC(C)(NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1nccs1	807045742	CCPIJPQWJMDWDM-UHFFFAOYSA-N	415.409	4.791	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)nn1C1CCCCC1	810390953	NPTLSLAADAAUTL-UHFFFAOYSA-N	417.513	4.505	50	20	HJGD	
COc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc(OC)c1OCC(F)F	812246650	QXORWUJATQSGPO-LFYBBSHMSA-N	414.330	4.826	50	20	HJGD	
Cn1ncc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1Cl	814701870	IAPRSXWJKKFHJV-UHFFFAOYSA-N	419.337	4.783	50	20	HJGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817017062	WRGFEJLLEQXYCZ-UHFFFAOYSA-N	422.373	4.804	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)N1CCn2c1nc1ccccc12	834717846	NPGSEDJPIZYNQX-DTQAZKPQSA-N	414.465	4.858	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3C)cc2/C=C(\C#N)C(N)=C(C#N)C#N)cc1	916137977	ACSMZJYFYKIDJB-UDWIEESQSA-N	404.477	4.577	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nnc(-c3ccccn3)s2)c(C)n1CCC(C)C	916503972	NHZOUKODHATVJM-LDADJPATSA-N	420.542	4.610	50	20	HJGD	
COc1cccc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1OC(F)F	917029653	MTJUNDSDXIIYCY-UHFFFAOYSA-N	420.412	4.928	50	20	HJGD	
O=C(c1ccccc1)C1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1	917083357	JDOOFCXDAWHYFI-UHFFFAOYSA-N	417.489	4.595	50	20	HJGD	
O=C(Nc1ccc(OS(=O)(=O)c2ccc(CCCl)cc2)cc1)c1cccs1	917847667	WTYAAVPOPKLMNS-UHFFFAOYSA-N	421.927	4.549	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1	919864205	LLJREISVGVERFK-KAMYIIQDSA-N	410.886	4.803	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2c(C)nn(-c3ccc(Cl)cc3)c2C)n1	920388060	RTRPBUYGHARSQV-NTEUORMPSA-N	412.902	4.840	50	20	HJGD	
Cc1cc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)n(-c2ccccn2)n1	920928925	NNFVWHPFLFDTGM-UHFFFAOYSA-N	411.680	4.685	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1cccc(-c2c(F)cccc2F)c1	1116389921	QYYOWMPHLXMTQH-UHFFFAOYSA-N	404.214	4.546	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1nc(-c2ccccc2)oc1C1CC1	1251559074	SXUIRTUPGLVUEL-UHFFFAOYSA-N	416.264	4.601	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)[C@@](C)(Cl)CCl)CCC2)cc1	1786012505	FSTDXLYBYSVHTI-SFHVURJKSA-N	419.780	4.622	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1787766093	UZYGDVYGSCSIDZ-GOSISDBHSA-N	409.288	4.551	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)cccc2F)n[nH]1	1823122305	OLAPOPJRUINKCC-PBHICJAKSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cscc2C)CC1	1824613171	HHVYGGWSPKTPJK-RBUKOAKNSA-N	411.011	4.697	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(Cl)s2)c1C	22032355	LLBOOYDUFPRVTO-MHWRWJLKSA-N	404.919	4.953	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cccc(NC(=O)c2ccncc2)c1	108570221	QJEOXDKOZJXHDJ-LJQANCHMSA-N	415.584	4.664	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccccc2F)C2CC2)c(C)n1C[C@H]1CCCO1	211929799	JMNIGFSZHBPUBP-FJWZAKCXSA-N	421.516	4.521	50	20	HJGD	
C[C@H]1CCCN(Cc2csc(NC(=O)NNc3cccc(C(F)(F)F)c3)n2)C1	726871364	MHVVGVNFGRHFGI-LBPRGKRZSA-N	413.469	4.542	50	20	HJGD	
O=C(NN=Cc1cccc(OC(F)(F)F)c1)c1ccc(COc2ccccc2)o1	727971265	SEUDFQUSNBLACZ-UHFFFAOYSA-N	404.344	4.521	50	20	HJGD	
CN1CCC(CCNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	728735056	JDDXBBHUMNQXBC-OAHLLOKOSA-N	409.905	4.759	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	728956001	IUGNOXBCMZRBCF-MRXNPFEDSA-N	424.726	4.588	50	20	HJGD	
Cc1cccnc1CNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	729438280	RWWKLMLMWZJYTJ-YBFXNURJSA-N	404.901	4.674	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3cc(F)c(F)cc3F)c2c1	734551818	ZXKHRJYOJIWJQZ-UHFFFAOYSA-N	408.383	4.779	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1Cl	735510510	LZNLLYNQYIOEGM-LBPRGKRZSA-N	402.281	4.852	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc3ccccc3n2C)c1C	736218198	IOESRCNJOJSMDK-TYSUYXETSA-N	403.530	4.576	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)c1C	736493970	YBHHQROHNRWTGG-OMNSNBSWSA-N	420.557	4.676	50	20	HJGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)S(=O)(=O)c1cc(Cl)ccc1Cl	737444373	QFYVPLHNTYEVQR-AWNIVKPZSA-N	412.685	4.633	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1	741712777	DKVGENRDULWAKT-NBVRZTHBSA-N	400.438	4.522	50	20	HJGD	
CCN(CC)[C@H]1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	743085202	WEEDLZWJOVHXOM-WFASDCNBSA-N	409.905	4.854	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1c(Cl)cccc1Oc1ccccc1Cl	743453021	HKXHMBGUOGUCAL-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](O)c2ccccc2F)c(C)n1C1CCCCC1	746710286	DHVFGKIHQUPXBV-UOCRBVKVSA-N	409.505	4.506	50	20	HJGD	
C[C@H](C=NNC(=O)c1ccc(Br)s1)c1cccc(Br)c1	747629845	JXBOAZLNZKGJTR-SECBINFHSA-N	416.138	4.792	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cccnc1Oc1cccc(Br)c1	748549147	HOXSJLLQQRTDGD-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1	748551988	SXKWKFMAXHUWPI-UHFFFAOYSA-N	412.465	4.798	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NNc3cccc4cnccc34)c12	748763934	LSKHJHXGCMDYDR-UHFFFAOYSA-N	416.529	4.923	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C	754701081	KLKYKQROMSLSFF-CHNNHVQOSA-N	423.532	4.940	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1csc(-c2ccc(Cl)s2)n1	755852722	MVORJNAMPGANPR-UHFFFAOYSA-N	410.855	4.757	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cc1C(F)(F)F	760463118	NXFIMEZHTJLBJR-UHFFFAOYSA-N	409.236	4.631	50	20	HJGD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	768009174	MOXNLIBLTUICAZ-LBPRGKRZSA-N	413.276	4.565	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1sc(-c2ccco2)nc1-c1ccccc1	768501909	MYNVCQLHXGBFKX-UHFFFAOYSA-N	401.451	4.703	50	20	HJGD	
COc1cc(C)ccc1Oc1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1F	769978437	VYRRVXVONDEHQT-UHFFFAOYSA-N	417.828	4.527	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	771139786	HAVPXECLECWLEH-UHFFFAOYSA-N	415.734	4.697	50	20	HJGD	
CN(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)S(=O)(=O)CCCCCl	780776602	NOUQNFXFTZDCOV-UHFFFAOYSA-N	422.856	4.678	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1F	781805701	FQGKHWWIGBVBKD-GOSISDBHSA-N	403.841	4.567	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)cc1	782451336	PRCJCFPWJZHASA-YSSBIZNGSA-N	420.509	4.816	50	20	HJGD	
Cc1ccccc1NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	782790076	NDAIQBSPUZNMAT-MRXNPFEDSA-N	402.825	4.792	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1cccc2c1OCCO2	783475356	MYZZKTPSWJUPQT-UHFFFAOYSA-N	424.347	4.692	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H]1[C@H]1CCCO1	790404585	SDAMINRGXHGGMZ-UONOGXRCSA-N	407.426	4.676	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(Cl)nc3cc(Cl)ccn23)cc1Cl	794695264	NAGKGANSEJIESL-POHAHGRESA-N	421.671	4.849	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1	812764921	NPRRCQBKPSXYLO-UHFFFAOYSA-N	422.550	4.849	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=C3CC[C@@H](C(=O)O)C[C@@H]3C)c3ccccc3n2)cc1	814713592	DKJVUBFQUVECEL-FUHWJXTLSA-N	415.493	4.817	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1csc(COc2ccc(F)cc2)n1	890732567	YGWFBWSHXZFZCL-UHFFFAOYSA-N	411.380	4.637	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1	901385425	WQKFHNUOXYVTJY-RGHBXIHOSA-N	410.424	4.614	50	20	HJGD	
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NNc2ccc(C)cc2)c1	912596649	RJTHTZMGGLIIPQ-UHFFFAOYSA-N	412.493	4.922	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(Br)cc1F	916336652	LLDUNODICJUJFW-CYBMUJFWSA-N	415.262	4.659	50	20	HJGD	
CCCCCCC(C)=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	917567429	HMTANMNPAIPQSS-UHFFFAOYSA-N	407.561	4.625	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(C(F)(F)F)c1	918183256	KUYPRSGSOFVZGL-CYBMUJFWSA-N	407.436	4.708	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccc(Cl)cc2)n1)c1c[nH]c2ccccc12	918707362	AHQKPJHWDDMFQH-UHFFFAOYSA-N	410.886	4.621	50	20	HJGD	
O=C(CSCc1cccs1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	1345757603	PDWCOOUZFWPWQS-UHFFFAOYSA-N	424.473	4.600	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3coc(C(C)C)n3)CCC2)cc1	1786442182	ALUSVALWPXMNJG-KRWDZBQOSA-N	417.937	4.953	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1	1824629220	WOJDFGFQBSKSSR-SJORKVTESA-N	420.972	4.695	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)c1	5177250	BTQYEYBHQZOKGN-HMMYKYKNSA-N	418.493	4.511	50	20	HJGD	
O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NNC(=O)c1ccccc1	8290198	SNTMIGRSOJUESJ-NRFANRHFSA-N	410.926	4.624	50	20	HJGD	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)cc1	10237386	KVHCRKKYKDHVML-SXZORUHJSA-N	408.546	4.704	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(SC(F)(F)F)cc1	16782889	GDDZPOKQVVROCT-UHFFFAOYSA-N	413.490	4.801	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(Cl)cc2C)c1C	207218622	IXJYSVWEFLIMHM-WQRHYEAKSA-N	413.905	4.566	50	20	HJGD	
Cc1ccccc1NC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	208385120	BYLRNPVDXRBGOW-BKUYFWCQSA-N	407.514	4.548	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1	727264573	SJYVYYRWYYEWFN-NTEUORMPSA-N	421.806	4.606	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(-c3nc4ccccc4s3)o2)c(C)c1	731534759	GFCFBTHEBUPVKQ-UHFFFAOYSA-N	422.535	4.805	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1	731996923	HLZUIYQLOHGZRR-GOSISDBHSA-N	400.569	4.510	50	20	HJGD	
COc1cc(C(=O)NN[C@H](Cc2ccccc2)c2ccccc2)ccc1OC(C)C	732917641	AHQXKEUDORBPQD-JOCHJYFZSA-N	404.510	4.701	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cc(C(C)C)no3)c2C)c1	733946428	LYOLLDUHDCMZGF-RGVLZGJSSA-N	402.498	4.737	50	20	HJGD	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NNc2ccccc2[N+](=O)[O-])c1	735028380	LIYNMLFBBXLBJF-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc(C#N)n1C	742771635	CLYXHLCOASCLKG-CXUHLZMHSA-N	417.856	4.592	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)Nc1ccc(-c2ccccc2)cc1	743827235	VCHOHCHRDFKOAL-RTBURBONSA-N	407.420	4.588	50	20	HJGD	
O=C(NC[C@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1)c1ccccc1	746638037	LLCOCRTULJVXSS-RTBURBONSA-N	406.617	4.512	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)n1	748333954	GPNPYDIAOGWHHX-UHFFFAOYSA-N	424.675	4.689	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1oc2ccccc2c1CSc1ncccn1	749273289	IWBKGSMSBLGDPD-UHFFFAOYSA-N	410.886	4.925	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2c(C)[nH]c3ccc(Cl)cc23)c1	752734579	RGJYZFYHOAZAHB-UHFFFAOYSA-N	420.694	4.665	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(-c2ccccc2)nn1)c1ccc(C(F)(F)F)cc1	754469035	CHXSHLDHAIGQCK-AWEZNQCLSA-N	400.404	4.799	50	20	HJGD	
Cc1cscc1NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	757755144	YISIOIFGKGQMCU-UHFFFAOYSA-N	402.479	4.738	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cc(Br)cc(C(F)(F)F)c1	758096570	WMCFKQYNQCUBEY-UHFFFAOYSA-N	424.220	4.642	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)c1C	760781576	PCAICTRBQLORKU-DDYRAIOVSA-N	422.451	4.619	50	20	HJGD	
COc1cc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)ccc1C	762642550	UBXGOBDURYLZOJ-UHFFFAOYSA-N	424.391	4.916	50	20	HJGD	
COc1cc(/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3)c2Cl)ccc1[N+](=O)[O-]	766777930	IAJZTYLCZHDUIJ-ZROIWOOFSA-N	412.808	4.954	50	20	HJGD	
N#C/C(=C\c1cc(O)ccc1Br)C(=O)c1ccc(Br)s1	769774241	SKENYYJQUVGEBA-WEVVVXLNSA-N	413.090	4.769	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(\C#N)c2cc(SC)ncn2)c1	773177016	SYEZUUZDPLLGKT-CXUHLZMHSA-N	405.527	4.890	50	20	HJGD	
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc1	782822050	WJNJJJQCDFHLFT-GOSISDBHSA-N	403.482	4.672	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c(C)c1	783366868	NWPSUAJLRHSLMP-UHFFFAOYSA-N	424.888	4.534	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NNc1ccc(OC(F)F)cc1	784310915	KFBNLPKVCMJZOZ-UHFFFAOYSA-N	405.445	4.617	50	20	HJGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3nnc(-c4ccccn4)s3)o2)c1	788566754	FULUVUXZYWFZOC-UHFFFAOYSA-N	405.483	4.740	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(Br)c2)c1C	789934086	ALYWCWMSHWPUPR-DUPVFGOHSA-N	417.303	4.587	50	20	HJGD	
CCN1CCc2nc3ccccc3c(C(=O)NNc3c(C)cccc3C(C)C)c2C1	794947693	CCMMNVOSHNFAML-UHFFFAOYSA-N	402.542	4.802	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(OCc3ccccc3)CC2)c(C)n1CC(C)C	797624087	ZVYGHOBBESVESK-IWIPYMOSSA-N	419.569	4.876	50	20	HJGD	
CN(C)c1cccnc1CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	810154064	JMFXSPMLWGQNLJ-OAHLLOKOSA-N	418.872	4.689	50	20	HJGD	
N#C/C(=C\c1cc(Br)cc(Br)c1)c1ccc([N+](=O)[O-])cn1	812245321	QPPHFDSCBDPMJF-XCVCLJGOSA-N	409.037	4.579	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cnc(C(F)(F)F)cc2C)c1C	813275332	FCHHXMJISRLMJM-CNGOAVBNSA-N	420.435	4.580	50	20	HJGD	
CC(=NNC(=O)c1cc(-c2ccco2)nc2ccccc12)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814735348	AHUQESMWWIBQSQ-QAPCUYQASA-N	419.481	4.738	50	20	HJGD	
CCc1nocc1CN(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C)c2)c1C	818557686	LFODSLHCVODRCC-NDENLUEZSA-N	402.498	4.519	50	20	HJGD	
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1cc(C)ccc1C	857831386	WDJDPCNWUZRVRQ-UHFFFAOYSA-N	412.493	4.922	50	20	HJGD	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	916128805	CTTAXPWSLZZOGF-SXGWCWSVSA-N	421.478	4.554	50	20	HJGD	
COc1cccc(-c2nc(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)cs2)c1	916152660	ASGYORNPDQHSFF-ZDLGFXPLSA-N	416.911	4.810	50	20	HJGD	
Cc1nc(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cs1	916320002	BYCFMWHZHZGSTQ-UHFFFAOYSA-N	421.353	4.859	50	20	HJGD	
CCN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc(OC)c(OC)c1	917087111	QOUOMOJPQZUVFG-UHFFFAOYSA-N	423.493	4.540	50	20	HJGD	
CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918239812	VRPWLYNASABSEH-BDJLRTHQSA-N	410.889	4.929	50	20	HJGD	
O=C(NN=Cc1ccc(N2CCC(c3ccccc3)=N2)cc1)c1ccccc1Cl	1317712329	JDCKRYALRREKFX-UHFFFAOYSA-N	402.885	4.718	50	20	HJGD	
CCc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H](Cl)CC)cc3)CCC2)cc(C)n1	1790487077	QFMKXZAIEXTIKM-HXUWFJFHSA-N	413.949	4.718	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2Cl)CC1	1824617519	USRWOMYWZKVUIO-IRXDYDNUSA-N	415.361	4.574	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2)CC1	1830309197	HDXNRSAUBVCVEZ-RBUKOAKNSA-N	411.373	4.591	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1830313950	UYVGKUSHMGWIJJ-CWJKEVGVSA-N	411.030	4.840	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1sc(-c2ccccc2)nc1C	16135968	WPBKMQUVLSTSLN-UHFFFAOYSA-N	410.568	4.621	50	20	HJGD	
CCC(CC)=NNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12	36270036	WBTWWWZDQPULQV-UHFFFAOYSA-N	421.497	4.833	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(O[C@@H](C)C#N)cc2)c(C)n1CC(F)(F)F	728699477	SJRLPMYFQYSSCL-VEJKBTLKSA-N	401.388	4.748	50	20	HJGD	
CC(=NNC(=O)Cc1csc(C)n1)c1c(F)cccc1O[C@@H](C)c1ccccc1	730142745	WVFKWYMOZUWSDR-HNNXBMFYSA-N	411.502	4.814	50	20	HJGD	
Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCCC[C@H]2CCSS2)cc1	731625738	YOUCLYROGLGPQM-DLBZAZTESA-N	410.630	4.549	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cs1)C1CC1	734304604	PSOUFLSHJLQOJE-XFFZJAGNSA-N	406.294	4.755	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCCC[C@@H]2c2ccco2)c(C)n1C[C@H]1CCCO1	736527363	YTSWVEBFXJYVIT-CARITWNBSA-N	421.541	4.928	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCCOC2CCCCCC2)c1C	740944436	BVGQLPAGHTXELG-ALDSOSFCSA-N	402.535	4.502	50	20	HJGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	741391403	HDDUSQUCJPNVMY-QQUHWDOBSA-N	408.873	4.841	50	20	HJGD	
O=C(NNC(=O)[C@H]1Cc2ccccc21)c1ccc(CSc2ccc(Cl)cc2)cc1	741883325	QZADPLYLVFREBZ-NRFANRHFSA-N	422.937	4.733	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2OC(F)F)c1C	742006556	MBCRYYYASGJNGB-MJOIQJIUSA-N	421.419	4.599	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Sc1ccccc1)c1cc(-c2ccccc2)on1	742039901	VLAQHTFCKVXGGK-UHFFFAOYSA-N	415.474	4.568	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC3(CCOCC3)C2)c(C)n1-c1ccc(Cl)cc1	743784282	WJCFSVDEPKWTCR-XSFVSMFZSA-N	423.944	4.684	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)c2ccc(Br)nc2)c1C	744374335	WTYXRGGAZXECKH-BOPFTXTBSA-N	415.335	4.633	50	20	HJGD	
COc1cc(C2(C(=O)NNc3ccc(OCC(F)(F)F)cc3)CCC2)ccc1C	748696116	YEMJNXFQMWUDCB-UHFFFAOYSA-N	408.420	4.510	50	20	HJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1	750799477	NZJSYNUISJQPQT-MSXFZWOLSA-N	403.501	4.593	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CCc1ccccc1O	758121086	TVPYHPQFSUWNLT-UHFFFAOYSA-N	424.932	4.612	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)c1cccc2ncccc12	762448780	JFNFPVPTPFUZSK-RXVVDRJESA-N	422.529	4.520	50	20	HJGD	
O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NNc1c(Cl)cccc1Cl	763612092	CFRUJLNIWYNARC-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)C(=O)Nc1nc(-c2ccncc2)cs1	767717453	MFWJKQCCSBLMDH-OQLLNIDSSA-N	407.524	4.865	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1	768244505	SCUXXDBYLCZOOB-UHFFFAOYSA-N	414.421	4.576	50	20	HJGD	
CCCNC(=O)c1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1Cl	769978912	SEJADSMBEHPSHX-UHFFFAOYSA-N	415.708	4.935	50	20	HJGD	
CN(CCC#N)c1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	773146332	WYMRLODHNRTDPO-LFIBNONCSA-N	401.363	4.984	50	20	HJGD	
COc1cc(/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3F)c2C)ccc1[N+](=O)[O-]	774562207	SCDZEVSBKSEYKZ-OVCLIPMQSA-N	410.380	4.748	50	20	HJGD	
CC1CCN([C@@H](C)CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	777909820	BSKYHAWBJFHTQR-ZDUSSCGKSA-N	422.485	4.743	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3sc(Cc4ccccc4)nc3C)c(C)cc2c1	778477296	YELFSTMXLTYKFD-UHFFFAOYSA-N	418.522	4.664	50	20	HJGD	
Cc1sc(CNC(=O)NNc2cc(Cl)ccn2)nc1-c1ccc(Cl)cc1	778625628	VZFCYQKLWXWGID-UHFFFAOYSA-N	408.314	4.647	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2	781366266	BFGQXBZMNLZXBT-FYWRMAATSA-N	414.440	4.996	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc(COCCOc2ccccc2)c1	787054528	PGZWDLZHUXEJFC-QNGOZBTKSA-N	414.461	4.533	50	20	HJGD	
O=C(Nc1ccc(-c2ccco2)cc1F)C(=O)NN(c1ccccc1)c1ccccc1	787558960	ZKEQYZVXOGBNHQ-UHFFFAOYSA-N	415.424	4.894	50	20	HJGD	
CCOc1ccc([C@H](C)NC(=O)NNc2ccc(Cl)c(OC)c2)cc1OCC	788848936	MHHKBJDGUBUXLO-ZDUSSCGKSA-N	407.898	4.533	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCCc2ccc(C)cc2C)c1C	790288028	QSODKPDFTNQGQH-LSCMLXDISA-N	407.558	4.585	50	20	HJGD	
O=S(=O)(Nc1ccc2nc(C(F)F)sc2c1)c1ccc(CCCl)cc1	795383399	QKFNAJIAHKKTFS-UHFFFAOYSA-N	402.875	4.816	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cccnc2)c(C)n1-c1ccc(Cl)cc1	858695146	DHFUNNAQTKHXAK-UDWIEESQSA-N	404.901	4.708	50	20	HJGD	
Cc1ccc(CNC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1	903962234	MFISTGGQPWNKJN-UHFFFAOYSA-N	424.504	4.663	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C2CC2)[C@@H](C)c2ccccc2)c1C	914479286	BEMJROYSJCPAQH-LAUXKIPWSA-N	405.542	4.972	50	20	HJGD	
Cc1cc(C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(C)n1Cc1ccco1	916336294	AXZQWAVUPKKGAE-LJQANCHMSA-N	415.493	4.817	50	20	HJGD	
N#C/C(=C\c1cc2ccccc2nc1N1CCCCC1)C(=O)c1ccc2c(c1)OCO2	917623766	MYWWSYPBGFVGDX-DEDYPNTBSA-N	411.461	4.744	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(F)c(F)c2)c(C)n1C[C@@H]1CCCO1	918953362	SGFTUAZCOSARNI-VIQFPUAJSA-N	414.452	4.774	50	20	HJGD	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(/C=C(/C#N)C(=O)C(C)C)cs1	920399314	RZYPSBVFYSDDJG-JYRVWZFOSA-N	407.417	4.979	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(/C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2)cn1	1321074183	RSALNNOMHUXUAZ-YBEGLDIGSA-N	413.506	4.740	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1	1786443821	MJKZWXXAZSMHOT-IBGZPJMESA-N	424.932	4.718	50	20	HJGD	
Cc1cscc1C(=O)NC1(c2ccc(NC(=O)CCBr)cc2)CCC1	1787673010	YNIYTTLSERSXCD-UHFFFAOYSA-N	421.360	4.589	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1	1814699242	JNXMQINRHGZASW-RDJZCZTQSA-N	410.990	4.883	50	20	HJGD	
Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)ccc1F	1824014447	PVCVNTJAPLSOJL-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	11333136	ARUWPMAIAYDIOX-FOWTUZBSSA-N	419.462	4.555	50	20	HJGD	
O=C(NCc1ccccc1-c1ccc(Cl)cc1)NNC(=O)c1c[nH]c2ccccc12	726798907	GJSBCIOOYHSHOQ-UHFFFAOYSA-N	418.884	4.633	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2cccc(CN3CCC(C)CC3)c2)cc1	727105606	XLKOVGRPHMTKGU-JLPGSUDCSA-N	417.553	4.541	50	20	HJGD	
COc1ccc(CCCCCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1	727366696	QQYPWSGUXVZWFI-UHFFFAOYSA-N	409.313	4.566	50	20	HJGD	
CC(C)(C)CC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	728428739	HWBRKDRWPNGQMG-UHFFFAOYSA-N	408.252	4.504	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](C)C#N)c(C)n1-c1cc(Cl)ccc1Cl	732111573	PGLHQOVZVWXHQV-DYPRAHPUSA-N	401.297	4.584	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ncc(-c3ccc(Br)cc3)[nH]2)c1	732714061	KITSIQAGIKNWSC-XNTDXEJSSA-N	408.255	4.638	50	20	HJGD	
Cc1ccc(Cl)c(NC(=S)NNC(=O)NCc2ccc(Cl)cc2)c1Cl	732928826	GCVGDIQPDPVUJX-UHFFFAOYSA-N	417.749	4.656	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)o1	734305963	IPCWHACFCQXRIN-RVDMUPIBSA-N	404.397	4.711	50	20	HJGD	
CC[C@H](NC(=S)NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cccs1	734369523	CDFBZMHQFLWUAF-AWEZNQCLSA-N	419.572	4.876	50	20	HJGD	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NNC(=O)CCCc1ccccc1	736662844	YVSIKLXTTMINHR-NRFANRHFSA-N	421.566	4.694	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1	737804097	IOIZOFZDDGLWSO-CQSZACIVSA-N	400.400	4.813	50	20	HJGD	
CSc1ccc(F)cc1CNC(=O)NNc1nc(Cl)c(Cl)cc1Cl	745928510	ORVOAAKZSBHAFZ-UHFFFAOYSA-N	409.701	4.729	50	20	HJGD	
Cn1cnnc1SCc1ccc(C(=O)NN=C2CCC[C@H](C(C)(C)C)CC2)cc1	746558192	IENGJNMUVZEREL-SFHVURJKSA-N	413.591	4.820	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1csc(COc2ccc(F)cc2)n1	748007765	AIIHQWUWZYRGEN-UHFFFAOYSA-N	412.273	4.925	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)c1	748786597	MRHRUEMENIYRGC-UHFFFAOYSA-N	401.825	4.698	50	20	HJGD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCC[C@H]2CCSS2)cc1	750874806	OLGWPJZAMSXSDU-RTWAWAEBSA-N	422.660	4.974	50	20	HJGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)Nc1ccc2oc3ccccc3c2c1	755366488	KSFMNXYESHNWPS-UHFFFAOYSA-N	411.364	4.654	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc(C)cc3Cl)cc2)cc1	757667286	YYDNMYIHNWEOOV-UHFFFAOYSA-N	414.914	4.547	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3c(F)cccc3F)c3c(C)noc3n2)c(C)s1	769678929	FJQNHGWPDWRLKL-UHFFFAOYSA-N	414.437	4.912	50	20	HJGD	
CCc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)cnn1-c1ccccc1C	771438878	ZVEDYYGAISVTSU-UHFFFAOYSA-N	406.383	4.658	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C(=O)O)c1)C(=O)c1cccc(F)c1	772172019	MFLWFOXAMZXPMI-YBFXNURJSA-N	401.393	4.893	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)c1nc2cc(F)ccc2s1	774136106	APKBRKIOBQLJFX-WQLSENKSSA-N	406.891	4.947	50	20	HJGD	
COc1cc(/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3F)c2C)ccc1[N+](=O)[O-]	774562201	SCDZEVSBKSEYKZ-NVNXTCNLSA-N	410.380	4.748	50	20	HJGD	
O=C(Cc1ccc(NC(=O)NNc2cccc(Cl)c2)cc1)Nc1ccccc1F	775598638	HFGLNKRQFDKGJX-UHFFFAOYSA-N	412.852	4.809	50	20	HJGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNc2c(Cl)cc(Br)cc2Cl)C1(C)C	780811198	SCIPXOHBBUKHGK-WCBMZHEXSA-N	422.150	4.840	50	20	HJGD	
COc1cc(NNC(=O)c2cccc(COc3cccc(F)c3)c2)ccc1Cl	790176243	NYJHMJRIKPZDAM-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccc(N2CCCCC2)c(Cl)c1	790494675	KGEOCOMPJZOXOA-UHFFFAOYSA-N	407.833	4.526	50	20	HJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2c(Br)c(C)nn2C)cc1	790600468	CCCGQZBUYIAXAW-DYTQJMLRSA-N	401.308	4.550	50	20	HJGD	
Cc1c(NNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)cccc1[N+](=O)[O-]	790804635	UTSSEMDGHPFVON-UHFFFAOYSA-N	413.865	4.623	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCO2)C(=O)c1ccc2ncccc2c1	794884627	JOSVAJBTLZLENL-GIDUJCDVSA-N	407.223	4.516	50	20	HJGD	
O=C(Nc1ccc(F)c(N2CCOC2=O)c1)NN(Cc1ccccc1)c1ccccc1	797661008	SOOOLHKXKITJQR-UHFFFAOYSA-N	420.444	4.526	50	20	HJGD	
COc1cc(C(=O)NN=C2CCC[C@H](c3cccnc3)C2)ccc1OCCC(C)C	799871667	CAWPZFLNFWOQEC-SFHVURJKSA-N	409.530	4.959	50	20	HJGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803437834	ZXBWVVCTBYZHPD-UHFFFAOYSA-N	420.538	4.630	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccnc(-c2ccc(Cl)cc2)n1	806358689	VFSMYCQERYNKMC-UHFFFAOYSA-N	410.264	4.756	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C	812767506	YOGXEYMFCDHGDU-UHFFFAOYSA-N	401.873	4.557	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)cc1	817911783	TZASVVUMPPUJKG-UHFFFAOYSA-N	414.456	4.739	50	20	HJGD	
C[C@@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)NNc3ncccn3)c2C1	913044138	XYNMVJREMSKASA-KAKMCVKYSA-N	421.504	4.905	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OC(F)F	915860425	XAGWYVYKEAEEAI-WQLSENKSSA-N	412.314	4.861	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCc2csc3ccccc23)c1C	916456647	KSHPQAZMLFCJJP-CTPANLQCSA-N	421.566	4.793	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cn(C)nc2-c2cc3ccccc3o2)n1	920387508	MGAIKULCBYCNEE-ZSOIEALJSA-N	404.451	4.531	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1	1790492024	QVKOZDKHJSJXCF-GOSISDBHSA-N	411.354	4.732	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)[nH]n1	1820862595	ZMWZWGZWCNJLBH-AYBZRNKSSA-N	416.953	4.613	50	20	HJGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1	1845735230	KHRNXATUZMGGPG-UHFFFAOYSA-N	424.928	4.668	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1C	21129873	HLURIVBBEHWKRS-GYKGCMEESA-N	413.905	4.646	50	20	HJGD	
C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	57519599	QPAPAJSESBSMCV-ZNCULLJESA-N	423.498	4.613	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc2c1OCO2	211499131	DGIKCKIACSZKPF-BOPFTXTBSA-N	414.417	4.762	50	20	HJGD	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	215986966	SINJHETWBRDALD-JYRVWZFOSA-N	405.679	4.965	50	20	HJGD	
CC(C)=CCSc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	303901739	QNTSMSUHCZSTMI-GOSISDBHSA-N	412.555	4.590	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2cc(F)c(Cl)cc2Cl)cc1	727500576	TVTYELRDPXLYMF-UHFFFAOYSA-N	416.305	4.551	50	20	HJGD	
COc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1O	729859275	JYYAOUFDTPVVFD-DEDYPNTBSA-N	407.514	4.548	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1	730588392	XCUOAXGTBLNZQG-HOTGVXAUSA-N	424.353	4.513	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2occc2C(=O)O)cc1)C(=O)Nc1ccccc1Cl	730950216	AMCYZMWZHZKFDP-PTNGSMBKSA-N	422.824	4.756	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1C	730993835	DBAMZBPQZAVXBZ-SDLDRHLBSA-N	422.554	4.549	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCc3cccc(F)c3[C@@H]2C)c1C	737698628	DCCLPFIGJVBNOG-KQOXESIYSA-N	409.505	4.504	50	20	HJGD	
Cc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c(OCCN(C)C)c1	738954147	BSCQFJYUGSWOEA-UHFFFAOYSA-N	418.541	4.679	50	20	HJGD	
COc1ccc2sc(C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)c(C)c2c1	742073361	AKUXMDXNSJSDKJ-UHFFFAOYSA-N	414.874	4.679	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Cl)nc2)ccc1OCc1ccccc1Cl	743815418	DGXAFVXIROBZNB-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
Cc1cccc(C(C)(C)CNC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	745100744	WRMPXGOOZBPXMW-XPCGLTFESA-N	419.569	4.593	50	20	HJGD	
O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)NNc1ccc(Cl)nc1	745272996	IFBUADPQRUHWSE-SFHVURJKSA-N	405.889	4.675	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(Cl)c(F)c2)cnn1-c1cccc(C(F)(F)F)c1	746695296	ALBZDAVLRDMQTL-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1	758925602	BGAILYQURCZIMY-VJOZSWGJSA-N	417.465	4.964	50	20	HJGD	
O=C(CNC(=O)NC1CCCCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	762603344	BKHYGUKQBCDSJW-UHFFFAOYSA-N	401.401	4.914	50	20	HJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)Nc3nc(-c4ccncc4)cs3)cc2c1	763278096	VCIMDFFKNJCSOY-XNTDXEJSSA-N	402.435	4.506	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1N1CCCC1)c1ccc(COc2ccccc2)o1	763355640	WSHXZYNKJDICTQ-UHFFFAOYSA-N	423.900	4.876	50	20	HJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCc3cc(C)c(C(=O)O)o3)cc2)cc1	764891692	NGXIQJUDLFIDPJ-UNOMPAQXSA-N	401.418	4.964	50	20	HJGD	
Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NNc1ccc(C(F)(F)F)cc1	772674796	YESHQOOPSKYZSG-UHFFFAOYSA-N	411.334	4.533	50	20	HJGD	
Cc1cc(Oc2ncccn2)ccc1NC(=O)NNc1ccc(C(F)(F)F)cc1	775562718	JBJCWZDDTTXBQN-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
CCCCCOc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1OC	787009422	ZELFMAUDMYPROS-PNWWAVQQSA-N	408.498	4.754	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1	787113475	VPHKHEHZGPOPNH-KZFLWGQDSA-N	411.299	4.719	50	20	HJGD	
COc1cccc([C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)c2ccccc2Cl)c1	787386577	DRWGILNSKHUFTJ-IUZFBFHQSA-N	418.880	4.867	50	20	HJGD	
O=C(NNc1nc2ccccn2n1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	791254271	XRVBVXCRUKPKJG-UHFFFAOYSA-N	404.282	4.522	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1	793035186	CLEPCUSHVAFWAM-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(C2SCCCS2)cc1	798142689	PADFUEGAWXFSIP-UHFFFAOYSA-N	408.980	4.879	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)s2)cn1	800790191	FVBFOIXNAIUVHW-GHXNOFRVSA-N	402.401	4.713	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)c1	810453247	QJTSLJRFNSXUJD-AQTBWJFISA-N	411.527	4.754	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CCC#N)Cc2ccccn2)c(C)n1C1CCCCC1	813440157	JPDPJMNVRZHGFJ-CJLVFECKSA-N	415.541	4.855	50	20	HJGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1	874131546	ZGTKBBLYRVWMMA-UHFFFAOYSA-N	410.446	4.545	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(c3ccccc3)CC2)c(C)n1C[C@H]1CCCO1	881441852	NCPBYPUZBVXITE-HZRUTDPJSA-N	417.553	4.597	50	20	HJGD	
Cc1ccc([C@H](C)N(C)C(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	914495352	CDQJPUBLXYAHIW-BWMZBKBZSA-N	405.542	4.719	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1cccc(NC(=O)c2cccnc2)c1	914857845	FZRGAXFBCGBPNX-IBGZPJMESA-N	415.584	4.664	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1	915843563	WMSZOTMGKPJNCB-PDGQHHTCSA-N	417.396	4.750	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)OC)o1	915846178	JPKYXHSNHXGYQW-PEZBUJJGSA-N	416.433	4.678	50	20	HJGD	
COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1	916141001	UMPIHUJIOQUGBC-WCIBSUBMSA-N	407.253	4.565	50	20	HJGD	
CCCC(=O)Nc1cccc(CNC(=O)NN(Cc2ccccc2)c2ccccc2)c1	916513838	CIFKOWLLYJMYPO-UHFFFAOYSA-N	416.525	4.846	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)N[C@H](C)c2oc3ccccc3c2C)c1	918085255	XHIWZIVAKXBBAR-QGZVFWFLSA-N	423.513	4.643	50	20	HJGD	
CC(C)Oc1ccc([C@H](C)NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1	918206788	LZZBOJDDBAAJBC-NSHDSACASA-N	416.831	4.928	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1	918684163	MHXHDCMZKDABNQ-HKWRFOASSA-N	422.912	4.767	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)c2nc(C)cs2)c1C	918753825	QQGJZROOHMNAAY-LZYBPNLTSA-N	410.465	4.782	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(c3ccc(F)cc3)CCC2)c(C)n1C[C@H]1CCCO1	920351427	HQPNGEBLSYEXKV-POEBIKTISA-N	421.516	4.526	50	20	HJGD	
COc1ccccc1CC(=O)NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	920373587	JFKWJULBBQLQIE-UHFFFAOYSA-N	419.428	4.530	50	20	HJGD	
CC(C)CC(=O)NNC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1	921166670	LUVHVWWAXZYPTJ-UHFFFAOYSA-N	400.475	4.671	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc([S@@](C)=O)cc3)c2C)cc1	1252189334	BWAYOUDRCQEFNL-OECYOIFVSA-N	417.534	4.686	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1cccc(Br)c1)c(C)n2C1CC1	1319591256	FPTAYFIGQVOVRN-UHFFFAOYSA-N	414.303	4.813	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1	1320843418	ZKOFTRIBJSHWEN-UHFFFAOYSA-N	422.341	4.716	50	20	HJGD	
COc1cc(Cl)c(Br)cc1C(=O)NNc1ccc(C(F)(F)F)cc1	1321935108	BXDFJRAJYSRFOV-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)CCC1	1790269332	IRSBGTZGAXLPOE-FQEVSTJZSA-N	413.949	4.518	50	20	HJGD	
CCCOc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)cc1	1790338976	GDHMPYHBKLILED-IBGZPJMESA-N	418.896	4.758	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Br)cc2)CCC1	1790536681	XSRHLJIBQOASST-DLBZAZTESA-N	423.326	4.579	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](Cl)CCC)n[nH]1	1815320750	GWOAAXXOIIWORS-WBVHZDCISA-N	408.974	4.802	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2csc(-c3ccsc3)n2)c1C	63276675	DZZQCNYXGQELLK-AUWJEWJLSA-N	411.508	4.783	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1	208118372	KFEBEPJBYFJJJH-RGVLZGJSSA-N	413.429	4.793	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(OC(F)F)c(OC)c2)c1C	214330258	XRZYNGPCESFWTE-WQRHYEAKSA-N	418.440	4.775	50	20	HJGD	
O=C(CCOc1ccc(Cl)cc1Cl)NNC(=O)c1c(Cl)cccc1Cl	727804585	HMEUPYWBACPLEF-UHFFFAOYSA-N	422.095	4.530	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(OCc2cccnc2)cc1	729516581	ZUXOZMSCPGXHPM-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2ccc(Br)s2)cc1	730436948	NTGBSBLAJUKAOU-XYOKQWHBSA-N	414.284	4.699	50	20	HJGD	
C[C@H](C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1F	731365465	LIWOVKXMJXEIKW-VIFPVBQESA-N	419.831	4.619	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC3(CCCCC3)C2)c(C)n1C[C@@H]1CCCO1	732174771	FSBDUGFKEQPTNX-DWFNGTSHSA-N	409.574	4.764	50	20	HJGD	
O=C(NN=Cc1ccc(-c2nc3ccccc3s2)o1)c1cnn(-c2ccccc2)c1	733078102	GZAJOSSEIKDMRD-UHFFFAOYSA-N	413.462	4.506	50	20	HJGD	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NNc3cc(F)c(F)cc3F)ccc21	734551647	LDQMECPPJWNSNC-UHFFFAOYSA-N	416.325	4.810	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](Cc1ccccc1)c1cccs1)c1ccccc1	735188273	DCCNCMIHQHNDCL-WOJBJXKFSA-N	407.539	4.556	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)c1C	736042651	TYHQJNAQMKSHBU-HMAPJEAMSA-N	418.541	4.572	50	20	HJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1ccc(F)cc1Br	748076844	QHWMISURGFPOJO-UHFFFAOYSA-N	401.663	4.786	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCC(F)(F)F	750900406	OCCSTVUPJSHJFA-MHWRWJLKSA-N	404.388	4.881	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNc1ccc(-c2ccccc2)nn1	754473840	RIMQYSNHVTWSLG-UHFFFAOYSA-N	403.511	4.609	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)cc1	755763404	QJWKGTUHCJTIFX-DEOSSOPVSA-N	420.472	4.962	50	20	HJGD	
C[C@H]1C[C@@H]1c1cc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	756221382	HIXBWMNYRRJRNS-KWQFWETISA-N	410.368	4.768	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1cccc(Oc2ccccc2)c1	756242416	MCONAPPDBSYLRF-UHFFFAOYSA-N	414.421	4.600	50	20	HJGD	
CCN(CCC1CC1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	760687285	UVNYKPNSQZIXJU-XMHGGMMESA-N	421.932	4.673	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)CCc2cncc3ccccc23)cc1	765327518	PPMGZTJSGFLPKY-UHFFFAOYSA-N	406.555	4.528	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1Br	765613686	WQPDWGBBNUXENS-XFFZJAGNSA-N	413.256	4.940	50	20	HJGD	
N#C/C(=C/c1cc(Br)ccc1Cl)C(=O)N(CC(F)(F)F)C1CC1	767730204	XOHFDPFBVYIIMH-YHYXMXQVSA-N	407.617	4.563	50	20	HJGD	
Cc1ccc(C(=O)NNc2ncccc2C(F)(F)F)c(Sc2ccccc2)n1	768144011	SYFJSCRYNAYEGQ-UHFFFAOYSA-N	404.417	4.712	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CCC(C(=O)OC(C)(C)C)CC1	768355657	SOAIUWVFQVUJEE-UHFFFAOYSA-N	413.543	4.736	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2c(C)cc(C)cc2C)c1C	768748482	PAKZCXJKZNCMAU-SNINMWPCSA-N	422.525	4.571	50	20	HJGD	
Cc1ccnc(-c2cccc(NC(=O)NNc3ccc(F)cc3Br)c2)n1	770030004	ILYOFLNKABYPDT-UHFFFAOYSA-N	416.254	4.502	50	20	HJGD	
CSc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1	775970262	ACKKZLWVNJASCW-DEWISIQVSA-N	409.555	4.860	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)NNc1cccc(C#N)c1	779699450	VDTMQTHSJFELOC-HXUWFJFHSA-N	421.501	4.609	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1c(Cl)ccc2cccnc12	781120687	RRRZWPYGTOELOE-UHFFFAOYSA-N	412.927	4.740	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)ccc1OCC(F)(F)F	786057287	ZAEYIPMPNVBZEV-VCHYOVAHSA-N	418.415	4.558	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c1C	789924493	UILOJHHTECCOCE-AYCSXLNKSA-N	416.319	4.621	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c(C(C)C)nn(Cc2ccccc2)c1Cl	792636096	RXABXNZUCLACAL-SFQUDFHCSA-N	405.951	4.788	50	20	HJGD	
CSc1ccccc1[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	799405276	QCPVADOGVOLHEF-HGCOGQBCSA-N	423.582	4.790	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1csc(-c2cc(Br)cs2)n1	808246615	GJDUBLMWEDNKMA-UHFFFAOYSA-N	400.150	4.510	50	20	HJGD	
CC(C)c1cc(NC(=O)NNc2ccc(C(F)(F)F)cn2)n(-c2ccccc2)n1	810268487	GCGDCQXOZUHZMS-UHFFFAOYSA-N	404.396	4.558	50	20	HJGD	
N#C/C(=C\c1cn2ccc(Br)cc2n1)C(=O)Nc1cccc2ccccc12	811685953	IMAHOZLAVKCXIN-XNTDXEJSSA-N	417.266	4.796	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1C[C@]2(CCCO2)[C@H]1C1CC1	815104045	BFLIWKHSNINASJ-HUUCEWRRSA-N	419.437	4.676	50	20	HJGD	
O=C(Cc1cccc2cccnc12)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016007	BHMHAEIBWIXBOH-UHFFFAOYSA-N	413.321	4.958	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2csc(-c3ccccn3)n2)c1C	821690823	HIXKDQPOAOCWPE-WQRHYEAKSA-N	406.511	4.684	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccn2)c(C)n1-c1ccc(Cl)cc1	864491007	VYPREKXPQBEAPB-YZYPPFLQSA-N	404.901	4.927	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1O	915989626	AITMIMZNPXEIAE-WCIBSUBMSA-N	415.218	4.574	50	20	HJGD	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	918002426	JLBWDRKPOCQXRD-OLZOCXBDSA-N	405.951	4.574	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2ccc(OC)c(-c3ccccc3)c2)cc1C	1117682519	BBODDNRRYLROJQ-UHFFFAOYSA-N	404.466	4.604	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCC2CCOCC2)c(C)n1-c1cccc(Cl)c1	1251853418	KMBCTCWANXYDHY-MOSHPQCFSA-N	411.933	4.587	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c(C)n2C1CC1	1323881484	ZDVUAWLCIHRYNZ-UHFFFAOYSA-N	414.849	4.612	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3)cc2)CCC1	1788459713	WVEGTELYWJWJEP-LJQANCHMSA-N	424.932	4.670	50	20	HJGD	
C[C@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CC=CCC3)cc2)CCC1	1791994077	LLYPPPQIHIOHBT-MGPUTAFESA-N	419.363	4.650	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1	1824009999	CRWKDHJLEYFENI-INIZCTEOSA-N	424.935	4.604	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2Cl)CC1	1824617517	USRWOMYWZKVUIO-IAGOWNOFSA-N	415.361	4.574	50	20	HJGD	
Cc1cccc(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1830640499	SGTILWUSGBNTAI-FQEVSTJZSA-N	419.009	4.802	50	20	HJGD	
Cc1ccc(-c2ccsc2C(=O)NNC(=O)c2cccc(Br)c2)cc1	10598831	PXGVQUQHIFDJGN-UHFFFAOYSA-N	415.312	4.561	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1C	24689061	UILOJHHTECCOCE-FBJMNJBLSA-N	416.319	4.621	50	20	HJGD	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)cc1	105286372	KVHCRKKYKDHVML-MKYLKIGJSA-N	408.546	4.704	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ncc(-c3ccccc3)[nH]2)c1C	725891409	BZAPVSTYOBOSDS-BKUYFWCQSA-N	401.514	4.519	50	20	HJGD	
O=C(/C=C/c1cccc(OC2CCCC2)c1)NNC(=O)c1c(Cl)cccc1Cl	727791542	LQTGAPVCYZHFBY-VAWYXSNFSA-N	419.308	4.789	50	20	HJGD	
O=C(NN=Cc1cc2ccccc2nc1N1CCCCC1)c1cccc(OC(F)F)c1	728433326	CAUZBPLBKWYHMB-UHFFFAOYSA-N	424.451	4.590	50	20	HJGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	728513454	JYMJARUMMNCTOV-CQSZACIVSA-N	412.486	4.518	50	20	HJGD	
CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	731480423	GJAPAHBBKZTTMU-PMACEKPBSA-N	412.665	4.730	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1ccc(OCc2cccs2)c(OC)c1)c1ccccc1	731931932	UOXXYPARTOIJGH-HXUWFJFHSA-N	408.523	4.980	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c1C	735803105	UJBCAZVKRJKFSW-CXUHLZMHSA-N	400.866	4.931	50	20	HJGD	
N#C/C(=C\c1cc2c(cc1OC(F)F)OCO2)C(=O)Nc1cccc2ccccc12	741840207	KHDZRNXMBCQBTR-OVCLIPMQSA-N	408.360	4.716	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1	744572182	XPWJEZPKPSFBJL-YSKWHIJTSA-N	412.873	4.525	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)[C@@H](C)c1ccccc1	746872578	PUTMSNNADJUOSB-KMZBNHDVSA-N	423.520	4.679	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccccc2OCc2ccccc2Br)c1	748033874	HECYOVIRKGJINY-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccc(OC(F)F)cc2)cc1OCC	748644025	YTFHSXIBMAADBS-UHFFFAOYSA-N	414.836	4.886	50	20	HJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748701576	MYBYOOADOANSRQ-UHFFFAOYSA-N	407.417	4.817	50	20	HJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2cc(F)c(F)c(F)c2)cs1	748810707	HHGSHTDPBXMHBS-UHFFFAOYSA-N	409.458	4.918	50	20	HJGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)[C@H](C)Oc1ccc(Cl)cc1Cl	749858882	LLGXLYNTLRQOGP-VIFPVBQESA-N	419.106	4.657	50	20	HJGD	
Cc1nc(-c2ccccc2)oc1C(=O)NNc1ccc(Br)cc1Cl	751060343	CEVZDTVKQMZOFV-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl	751294550	GJIQFLPGKODFBD-MRVPVSSYSA-N	406.096	4.865	50	20	HJGD	
COc1cc(C(C)=O)ccc1OCCCC(=O)NNc1cc(Cl)ccc1Cl	752811021	PHGITWMVXJJDMC-UHFFFAOYSA-N	411.285	4.507	50	20	HJGD	
CC(C)c1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)nn1-c1ccccc1	754152271	FKSYLXPTNGPPEC-UHFFFAOYSA-N	406.383	4.911	50	20	HJGD	
Cc1nn(C)cc1/C=C(\C#N)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	755406470	CQZXBHGAQDVVDA-MHWRWJLKSA-N	410.424	4.527	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)Nc1cc(C(F)F)ccc1Cl	757735588	UGMWOGZFVNFXPY-UHFFFAOYSA-N	420.268	4.876	50	20	HJGD	
N#C/C(=C\c1cc2ccccc2s1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	758417104	GVNKXIRYFMISKG-RIYZIHGNSA-N	419.487	4.982	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3cc(F)c(F)cc3F)c(C(C)(C)C)n2)cc1	759089406	HOALGSUWOZTZAJ-UHFFFAOYSA-N	402.420	4.652	50	20	HJGD	
CCCCn1c(SCC(=O)N2CC=C(C#N)CC2)nc2cc(C(F)(F)F)ccc21	760003952	PXSUHPZHYYGUNT-UHFFFAOYSA-N	422.476	4.630	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccccc1-c1ncc(-c2ccccc2)o1	766674474	VYOIBBJPCRKTCR-UHFFFAOYSA-N	413.462	4.770	50	20	HJGD	
CC(=O)Nc1ccc(C)c(NC(=O)NNc2ccc(Br)cc2Cl)c1	769957728	IUIQYCDKYYGZQA-UHFFFAOYSA-N	411.687	4.518	50	20	HJGD	
COC(=O)CCSc1cccc(NC(=O)NNc2ccccc2C(F)(F)F)c1	770077176	ALWGTBNQCKSZMO-UHFFFAOYSA-N	413.421	4.509	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3nnc(C)n3C)c2)c1C	773168424	DEIBTKVFPZGMTF-BKUYFWCQSA-N	416.529	4.555	50	20	HJGD	
CC(C)n1cnnc1-c1ccccc1NC(=O)NNc1cccc(C(F)(F)F)c1	775667387	PPPSHAHTOXGZSL-UHFFFAOYSA-N	404.396	4.693	50	20	HJGD	
O=C(NCc1nc(-c2cc3ccccc3o2)cs1)NNc1c(F)cccc1F	776188950	UNVRYMYTGFOPQY-UHFFFAOYSA-N	400.410	4.661	50	20	HJGD	
O=C(NNc1ncncc1Cl)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1	781837181	UTZQRVVZKDQOBN-MRXNPFEDSA-N	423.300	4.899	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OCC2CCCC2)c(-c2ccc(Cl)cc2)n1	781870056	URVHJIOQRGKDNZ-LDADJPATSA-N	408.889	4.758	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(F)c(F)c2)cc1OC	786053320	QWVBRAIFVZPBSO-CHHVJCJISA-N	420.843	4.639	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c1C	786316218	PKQOVVATRFPUSB-IYVNWDGISA-N	410.465	4.775	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)cc2Cl)cc1	787153577	FOFNCYPPXSBZLD-AZZDOICSSA-N	405.281	4.795	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)ccc1Cl	788589521	OTYYXRMMDFYHJL-UHFFFAOYSA-N	401.854	4.671	50	20	HJGD	
CCc1cccc(Cl)c1C=NNC(=O)[C@H](C)Oc1cccc(Br)c1	788704113	LGAKRVNEMYZEOA-LBPRGKRZSA-N	409.711	4.583	50	20	HJGD	
CC(CCc1ccc(OCc2cccc(C(=O)O)c2)cc1)=NNC(=O)c1ccccc1	814685401	HPJMDDCHPLYPIS-UHFFFAOYSA-N	416.477	4.702	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)cc1	817925366	DDTBYYROQNDWLX-UHFFFAOYSA-N	422.268	4.716	50	20	HJGD	
Cc1ccc(-n2nc(C)c(CC(=O)NNc3cccc(Cl)c3)c2C)cc1Cl	916164118	LHYIEFTZVOMWLT-UHFFFAOYSA-N	403.313	4.790	50	20	HJGD	
CC(=O)N1Cc2ccc(NC(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc2C1	1319721785	NAARERWQMOITRH-UHFFFAOYSA-N	413.692	4.658	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)s3)CCC2)cc1	1786011617	JTHFFCVIXATMQJ-UHFFFAOYSA-N	408.926	4.900	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H]3C)CCC2)cc1	1786070569	ISMUHEZUULTXKV-DAYGRLMNSA-N	421.379	4.588	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3Cl)CCC2)cc1	1786441747	AOMRGUJNATWVNI-QGZVFWFLSA-N	420.340	4.890	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1	1786445060	PWTPNQSARGCKSM-KRWDZBQOSA-N	420.340	4.890	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CO[Si](C)(C)C)CCC2)cc1	1789626185	DYIIFWOSUPSVHE-UHFFFAOYSA-N	416.638	4.964	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)cc3F)cc2)CCC1	1790661766	SCTSSQJXXUHEME-GOSISDBHSA-N	418.896	4.687	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)s3)CC2)C1	1806156389	SLOJIHVXXODYAR-AWEZNQCLSA-N	417.402	4.654	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1	1820559891	LJHIVSOKNXPYQK-NVXWUHKLSA-N	423.344	4.777	50	20	HJGD	
CC(C)(C)CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Cl)CC2	1825498313	OMHAISFAVNKNKC-MLGOLLRUSA-N	417.978	4.586	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)cc1C	1830004185	HLVMWFGXZNAGMO-NRFANRHFSA-N	419.009	4.802	50	20	HJGD	
CC1(C)CCC(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1	1830420673	QWOQBLSLIOXWDH-AZUAARDMSA-N	414.993	4.747	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)c1C	10409750	WQPOTAIETSEVHI-NGWPFTMJSA-N	405.420	4.877	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)Nc1ccc(C#N)c(Cl)c1	16860225	KGNSRDOVWZVIGN-IUODEOHRSA-N	412.964	4.796	50	20	HJGD	
CCCC(=NNC(=O)c1cc(OC)c(OC)c(OC)c1)c1cccc(C(F)(F)F)c1	726418295	VZFKXPFKAKVIAH-UHFFFAOYSA-N	424.419	4.665	50	20	HJGD	
O=C(NCc1nccn1C(F)F)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	726697645	AZERJVWUQUITKZ-LLVKDONJSA-N	414.787	4.819	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@@H]1CCCc2cc(OC(F)F)ccc21	726709825	TVXSZSXZQJFAOQ-MRXNPFEDSA-N	413.371	4.593	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c2c(c1)C[C@H](C)O2	728437449	DFMDCQQKMMMINT-BWADBZPLSA-N	412.873	4.535	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1C	730587362	KPTIILULOUBEJS-HUUCEWRRSA-N	408.354	4.732	50	20	HJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(OCc3occc3C(=O)O)cc2)c1	730949052	QJFIPEICICANTK-XDHOZWIPSA-N	401.418	4.964	50	20	HJGD	
C[C@H](NC(=S)NNC(=O)C(C)(C)c1ccccc1)c1ccc(Cl)cc1Cl	731160729	AYVAQLCZJZFEEC-LBPRGKRZSA-N	410.370	4.528	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cc(C)c(C)cc2OC(F)F)c1C	742350064	NXRCEVNPEFWOTB-SXGWCWSVSA-N	416.424	4.816	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(C)=O)c2)c1C	744843259	BVBOMOWOEWEWTF-BKUYFWCQSA-N	413.477	4.851	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2cccc([N+](=O)[O-])c2)c(C)n1C1CCCCC1	748004715	PFIBNDSFWMOPID-LDADJPATSA-N	407.474	4.569	50	20	HJGD	
O=C(NNc1ccccc1F)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2	748056575	KQFDWMMQAMZADH-UHFFFAOYSA-N	405.260	4.564	50	20	HJGD	
O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NNc1ncc(F)cn1	762098531	FRNCYRABQNFVFP-UHFFFAOYSA-N	412.424	4.619	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)cc1	767887440	GVKQSAANRFVWTH-UYRXBGFRSA-N	402.425	4.959	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc2ccc(Br)cc2n1	771520641	OMJPIQQHVFPANB-GXDHUFHOSA-N	408.255	4.552	50	20	HJGD	
O=C(NCc1ccc2c(c1)COC2)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773417420	KAVATZOXELTKRB-UHFFFAOYSA-N	422.375	4.629	50	20	HJGD	
O=C(CCCc1ccc(Br)s1)NNc1ncc(Cl)cc1Cl	775276814	WABYEXLYVIZURV-UHFFFAOYSA-N	409.136	4.678	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](CCO)c2ccccc2)c(C)n1C1CCCCC1	776490592	XFAVLZYXVKVCPN-FOOJEKODSA-N	405.542	4.757	50	20	HJGD	
Cc1nc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)ccc1[N+](=O)[O-]	777685313	OIHZJPIJOULESJ-UHFFFAOYSA-N	419.353	4.756	50	20	HJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c(-c2ccc(C#N)cc2)n1	777872287	QDZBYPQTSWTQEJ-MHWRWJLKSA-N	421.382	4.523	50	20	HJGD	
CN(C[C@H]1CCCC[C@H]1O)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778058828	NYZJTDBCKWFJKO-BXUZGUMPSA-N	409.442	4.516	50	20	HJGD	
Cc1cc(-c2ncccc2NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)cs1	782700048	TUXWAMIKCJOWCU-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)C(=O)Nc1cccc(Sc2ccccc2)c1	785180522	ZSFZIMHUYYBBQN-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1	785374565	DUJZDCXARZGHKL-ATTDUZETSA-N	413.355	4.967	50	20	HJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791063956	PABSWECMCXOUOO-UHFFFAOYSA-N	401.419	4.618	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=CCc3cccc(Cl)c3)cc2)n1	794860252	KQLZDWSWDPNHLB-UHFFFAOYSA-N	424.957	4.997	50	20	HJGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1	794938397	PEDHZGFAMQYWSP-NVNXTCNLSA-N	424.806	4.897	50	20	HJGD	
O=C1Cc2cc(OS(=O)(=O)c3cccc(S(F)(F)(F)(F)F)c3)ccc2N1	795427679	CNOZKJHUHPLRGH-UHFFFAOYSA-N	415.361	4.606	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=C2CCC[C@@H](c3ncccc3C)C2)c1	799112901	ZKMNMEIBECMQGE-CQSZACIVSA-N	416.319	4.605	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCCC[C@H]2CCSS2)C(C)(C)C1	801512321	INECWQYKKIIKRY-JKSUJKDBSA-N	416.653	4.852	50	20	HJGD	
C[C@@H]1C[C@@H](C=NNC(=O)c2c(Cl)cccc2Cl)CCN1C(=O)OC(C)(C)C	807968623	ARNOLWKNMVUPQW-OLZOCXBDSA-N	414.333	4.745	50	20	HJGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)Cc1nc(-c2ccccc2)cs1	814218263	VFPBENSVQRORDC-NDGHWQBESA-N	405.523	4.705	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cnc(OC2CCCCC2)c(Cl)c1	816172969	LZXZFMFZDCCABQ-UHFFFAOYSA-N	414.815	4.617	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	816485389	LLBWTCHQGMPLGK-UHFFFAOYSA-N	424.892	4.654	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2=NCCS2)c(C)n1-c1cc(Cl)ccc1Cl	906256382	MBTPRMQUWMCHIG-RIYZIHGNSA-N	419.337	4.527	50	20	HJGD	
Cc1nc(-c2ccccc2NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)no1	915867657	NXYHZCXDBGGZNR-YBFXNURJSA-N	403.486	4.665	50	20	HJGD	
CCc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc1	916329539	NLZYQRDIOWCUED-UHFFFAOYSA-N	401.297	4.814	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OCC#N)c2)c(C)n1-c1ccccc1F	916410701	BWQLICKPLCPPJH-CPNJWEJPSA-N	414.440	4.681	50	20	HJGD	
COc1cccc([C@H]2CCCN2CCP(=O)(c2ccccc2)c2ccccc2)c1	917085088	WUOQLWUWJMRIRQ-RUZDIDTESA-N	405.478	4.846	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1ccc(-c2nc3ccccc3o2)cc1	920929339	ADNAJYXLCYLBAF-UHFFFAOYSA-N	423.432	4.510	50	20	HJGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)c1nc(O)c2cc(Br)ccc2n1	921265802	SEIPABQWPPFNSL-BJMVGYQFSA-N	402.635	4.521	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)c2ccc(OC)cc2)c1C	1317948872	GUMOXNKIGQQLKB-SBGXLDQMSA-N	408.498	4.635	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1Cl	1319068715	PFUCIRLOOBEOQF-ZIAGYGMSSA-N	416.909	4.796	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)C1	1806153025	NDDVECAYWUZHNV-SFHVURJKSA-N	422.013	4.565	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)cccc2F)n[nH]1	1823122310	OLAPOPJRUINKCC-YOEHRIQHSA-N	420.916	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2)CC1	1829997309	FORYSJMGEFWBFW-RTWAWAEBSA-N	404.982	4.636	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)ccc1F	1830563877	CAFTUYKIUIOYEG-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1	303528436	GSSUOPWLFXQRHH-UHFFFAOYSA-N	419.859	4.848	50	20	HJGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNC(=S)Nc1ccccc1C(C)C	727174592	SDZMKJHPXAKEPK-UHFFFAOYSA-N	406.555	4.535	50	20	HJGD	
Cc1nn(C)cc1[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	727738113	GMGHUGJBXXEUBY-HNIBHBHRSA-N	421.932	4.574	50	20	HJGD	
O=C(NN=Cc1ccccc1N1CCCCC1)c1ccc(Br)cc1Cl	728782284	IFIDHBHEFZMVCB-UHFFFAOYSA-N	420.738	4.857	50	20	HJGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	729623711	LTEUWGKREWWDGT-HXOBKFHXSA-N	417.509	4.551	50	20	HJGD	
C=C(C)CN1CCC(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)CC1	729975599	PRRMMOYHOOISTH-JCMHNJIXSA-N	408.590	4.674	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)C(=O)c1ccc(Br)s1	730436666	UVNGCSLRKCYDOC-YFHOEESVSA-N	402.298	4.819	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3occc3C(=O)O)cc2)c1C	730952235	UISZUNDGQFCAQL-LDADJPATSA-N	416.433	4.719	50	20	HJGD	
COc1cc(C=NNC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccccc1	732763478	HNXXKDFOMDPJHM-UHFFFAOYSA-N	424.884	4.700	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1Br)NNc1ccc(Br)cc1	733357342	BKHHPCYIMFBAPA-UHFFFAOYSA-N	418.516	4.551	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(NC(=O)c3ccco3)c2)c1C	734329276	UKQKJXWLOPCEJW-CPNJWEJPSA-N	417.465	4.873	50	20	HJGD	
O=C(NCc1nc(-c2cccc(Cl)c2)no1)NNc1ccc(Cl)cc1Cl	734676508	YKOSZQGNEYNZKN-UHFFFAOYSA-N	412.664	4.523	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)c1C	736042652	TYHQJNAQMKSHBU-HYARGMPZSA-N	418.541	4.572	50	20	HJGD	
N#Cc1ccc(C=NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)o1	743422231	VYQIOLVSBMNJPA-UHFFFAOYSA-N	400.825	4.784	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1	744571780	VPYLHPUBAZBXIS-ZKMNFCBKSA-N	412.873	4.525	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Oc2ccc(OCC3CC3)cc2)c(C)n1C[C@H]1CCCO1	745815753	PTCIDZKQOHWQLV-NIQJEMAJSA-N	420.509	4.585	50	20	HJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)ccc2c1	746894898	DERLYNAZSFTWRA-ZDUSSCGKSA-N	413.399	4.986	50	20	HJGD	
Cc1noc(C)c1N(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	747878959	ISMBUJCFXJUZOE-VCHYOVAHSA-N	408.889	4.922	50	20	HJGD	
N#Cc1cccc(OCc2cccc(C(=O)NNc3cccc(Br)c3)c2)c1	748019631	JNWSAOLXYLUESY-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1ccc(Br)c2ccccc12	757887006	IQGJCWNNTBBKEP-UHFFFAOYSA-N	423.270	4.550	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3ncc(C)s3)CC2)c1C	762724432	AWVZWOLPQMACMB-BKUYFWCQSA-N	410.587	4.983	50	20	HJGD	
O=C(O)c1ccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1F	766570978	QLOYORPTAUECJO-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cncc(-c2cccc(C)c2)c1	768565135	CLLLUPMUFVYNFO-UHFFFAOYSA-N	404.539	4.559	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(/C#N)C(=O)c3cccc(F)c3)cc2)oc1C(=O)O	772179427	PCULABVDNDVRNI-YVLHZVERSA-N	405.381	4.794	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	772830929	PMBFRRCNUMAULD-UHFFFAOYSA-N	420.300	4.638	50	20	HJGD	
Cc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)cc1NC(=O)OC(C)(C)C	775273742	OUQQOWJBAMOYRK-UHFFFAOYSA-N	411.289	4.801	50	20	HJGD	
COc1sc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)cc1Br	775639900	ZTZDSZMPTINRLZ-RMKNXTFCSA-N	414.227	4.910	50	20	HJGD	
CCC(CC)[C@H]1C[C@@H](NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CCO1	778756054	JGMNDBWFZVHAOC-FCHUYYIVSA-N	424.545	4.673	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1	782445810	FWLASDIALMHIPZ-QFXGEWDLSA-N	412.445	4.525	50	20	HJGD	
C[C@H](COCC(F)(F)F)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782979431	MVNRXGWHLTXUDL-MRVPVSSYSA-N	423.347	4.590	50	20	HJGD	
C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NNc3ccc(Cl)cc3)c2)C1	783340423	UPHXLUKVROKMJM-FOIQADDNSA-N	415.921	4.517	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1Cl	789126256	DLSPFLZIDJUFCV-SFQUDFHCSA-N	406.873	4.529	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(F)c(F)cc1C(=O)c1ccccc1	792942808	PKDOONBTMAGOEG-UHFFFAOYSA-N	420.337	4.972	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccc(-c4csc(C)n4)cc3)c(C)cc2c1	799717096	HDDLPVYUVUZDAH-UHFFFAOYSA-N	404.495	4.741	50	20	HJGD	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	802037209	XGICCVRVMLHLOZ-UHFFFAOYSA-N	412.449	4.784	50	20	HJGD	
O=C1OCc2ccc(NS(=O)(=O)c3cccc(S(F)(F)(F)(F)F)c3)cc21	808125878	PGMKDQCAZBADLP-UHFFFAOYSA-N	415.361	4.815	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(F)c(Br)c1	812538565	SGGZHOLUNLCIJK-JTQLQIEISA-N	417.225	4.827	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1C	813218843	UBOBNFZQVUYVND-VUZIPCMWSA-N	400.404	4.712	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1C	843507101	HGUOUXBLGZLTNI-UEIZDATPSA-N	421.516	4.674	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(C(C)C)no2)c(C)n1-c1ccc(F)cc1	914893707	VMAHWCSMTXNIQK-GYKGCMEESA-N	422.460	4.951	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1C	916080628	MIHBJVQDMMSMLL-BKUYFWCQSA-N	418.541	4.651	50	20	HJGD	
COc1cc(OC)cc(C(=O)NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)c1	916314806	WOADGSZLVMYLQD-UHFFFAOYSA-N	413.477	4.626	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1cccc(OC(F)F)c1	916360241	LIFMSXKKJPNVIE-UHFFFAOYSA-N	400.381	4.614	50	20	HJGD	
CCc1ccc(-c2nc(C(=O)NNc3ccc(Br)cc3)cs2)cc1	1318231409	DLOQBYRCRBUMDL-UHFFFAOYSA-N	402.317	4.892	50	20	HJGD	
Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)cc1C	1786661266	KBMRLTURWARUSJ-HXUWFJFHSA-N	402.897	4.514	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)c3occc3C)cc2)CCC1	1788694584	LWZWTJLNWQZUTC-INIZCTEOSA-N	419.319	4.509	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CCC1	1789280173	UJNYEDOQKOGWEO-SFHVURJKSA-N	424.932	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cn3)cc2)CCC1	1789734246	XHBSGNBFCBHRBD-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
COc1cc(C)ccc1C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791607535	YROSMFHYADLIDI-UHFFFAOYSA-N	421.324	4.555	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824013707	QILOBFJZSSYTBF-WOJBJXKFSA-N	409.014	4.640	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)CC1	1831505715	BTDQFDHIMINBHT-NYVOZVTQSA-N	419.009	4.817	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCCC[C@@H]1CCSS1	14939769	DDGCBKKVRMNORY-OAHLLOKOSA-N	421.613	4.594	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1SCc1ccco1	727792941	ZBCASRXHWGXOMY-UHFFFAOYSA-N	421.305	4.954	50	20	HJGD	
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1csc(-c2cccs2)n1	728427067	HESJBPXGFJVEIT-UHFFFAOYSA-N	412.323	4.708	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)C2CCC2)c1C	729657984	SARMCAMWYCCKRQ-DYGCPRFBSA-N	405.542	4.877	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	730589198	KMUQMBURBSFTCS-STZFKDTASA-N	415.420	4.981	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)c1cc(-c2ccccc2)ccc1Cl	732306682	NNNKJPBHWSADEA-UHFFFAOYSA-N	411.914	4.647	50	20	HJGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	739667816	VGZLILPGPXBPJQ-UXEDPAHQSA-N	420.332	4.502	50	20	HJGD	
CCOc1ccc(C(C)=NNC(=O)Nc2ccc(OC(F)F)cc2)cc1OCC	741771957	PSRQIECBQOBQAH-UHFFFAOYSA-N	407.417	4.631	50	20	HJGD	
C[C@@H]1C[C@@H]1[C@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1	743630690	ZNFYXDNPBLPWBA-PUCZYUMASA-N	407.901	4.835	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3nc(C)c(C)s3)c2C)c1	743782862	BUSHVVOUXJHHTD-JAIQZWGSSA-N	404.539	4.699	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1	745179738	WFRRYWUVILMFNH-NRFANRHFSA-N	407.901	4.576	50	20	HJGD	
CCOc1ccc(C(=O)NN=C(C)c2ccc(SC(F)F)c(OC)c2)cc1OC	746486211	YUGTWKDZBCZJDI-UHFFFAOYSA-N	424.469	4.571	50	20	HJGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1	747052216	CSQRSYDTENRFOP-UHFFFAOYSA-N	420.812	4.676	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)CCc1ccccc1	749747872	REWFRHWDCLPKMT-UHFFFAOYSA-N	401.297	4.570	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C(F)(F)F)ccc2Cl)cc1OC	753682100	AJNTYXXVUCVACO-GHXNOFRVSA-N	410.779	4.922	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)Nc1ccc(C(=O)Nc2ccccc2)cc1	756262043	LSFFKYACCWRHJI-UHFFFAOYSA-N	424.460	4.559	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cncc(-c2ccccc2)c1	757664880	BNQJAKPUVGTNTI-UHFFFAOYSA-N	404.214	4.546	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1cc(COc2c(Cl)cccc2Cl)on1	758391836	NTCQRLZVDYVBSA-UHFFFAOYSA-N	412.660	4.971	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2nnc(C(C)(C)C)s2)c(C)n1CCC(C)C	758628922	ZIZCVOIYWKRECX-WQRHYEAKSA-N	413.591	4.523	50	20	HJGD	
CN(C)[C@H]1CCCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	760032889	HQMYKCJYTSRHJQ-WFASDCNBSA-N	409.905	4.854	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)c1	760140988	NRPHJMOSTIOCIH-UHFFFAOYSA-N	401.438	4.652	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCc2ccsc2C1	762671231	MUKGJQKWPVYQAX-UHFFFAOYSA-N	412.405	4.929	50	20	HJGD	
O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NNc1c(Cl)cccc1Cl	763611055	RRDQQNKRSLPWBB-UHFFFAOYSA-N	404.084	4.634	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)c(C(F)(F)F)c1	769943873	SVRWZGLPRJTIBG-UHFFFAOYSA-N	420.313	4.831	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)c1ccccc1OC(F)F	775639827	WMEVJLUYZDQHKN-LDADJPATSA-N	407.420	4.940	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1	777901506	ZAZHIZCGMSBGMT-UHFFFAOYSA-N	412.336	4.773	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(Cl)ccc1Br	779200489	GTUBJVVNJNDLFV-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)OCc1noc(-c2ccc(F)cc2F)n1	781140753	FIUITUZFRIKPAW-LBPRGKRZSA-N	400.472	4.772	50	20	HJGD	
CN(CCc1ccncc1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782980098	RFYIYTVSFLCRNX-UHFFFAOYSA-N	402.410	4.602	50	20	HJGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21	786666946	SPLGZZOYGWGPGL-ZROIWOOFSA-N	410.882	4.872	50	20	HJGD	
COc1cc(NNC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)ccc1Cl	788987467	YOBVBTFOEMNPFO-GFCCVEGCSA-N	402.907	4.859	50	20	HJGD	
CSC1(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCC1	789783928	GODOOBPMALRZBR-UHFFFAOYSA-N	404.426	4.684	50	20	HJGD	
O=C(NN=Cc1ccc(-c2cccc(F)c2F)o1)c1ccc(F)cc1Br	790157091	JAAWEAVJJBHUEP-UHFFFAOYSA-N	423.188	4.890	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1	792247754	MTUQKQLFKLCZBH-UHFFFAOYSA-N	415.925	4.597	50	20	HJGD	
N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	792587008	LUUKTJIKVVEPPY-RTBURBONSA-N	424.035	4.763	50	20	HJGD	
N#C/C(=C\c1cscc1Br)C(=O)Nc1ccccc1Br	794689546	BSXZUEZNGJIEPA-WEVVVXLNSA-N	412.106	4.819	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccccc2NC2CCCCC2)c1C	795102373	DKYSETSCGVISCU-UHFFFAOYSA-N	416.529	4.657	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)NNc1c(Br)cccc1Br	801501207	DDIMZSJORFBRFG-UHFFFAOYSA-N	423.108	4.758	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCO2)c1cc(C(F)(F)F)ccn1	812248084	CRRWUDCCNNSPED-WZUFQYTHSA-N	411.177	4.698	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(/C#N)c3cc(C(F)(F)F)ccn3)cnc12	812248939	UTYAXIULBFTFBO-WZUFQYTHSA-N	407.193	4.883	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2	835928585	HPZLZUNORUFYCE-PFONDFGASA-N	419.481	4.874	50	20	HJGD	
O=C(NNC(=O)c1ccco1)c1ccc(COc2ccccc2-c2ccccc2)cc1	862331833	AWCRDQANXHDLKV-UHFFFAOYSA-N	412.445	4.600	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=S)Nc1cc(Cl)cc(Cl)c1	916019335	MQJMEVQZQHRHHG-UHFFFAOYSA-N	404.322	4.707	50	20	HJGD	
N#C/C(=C/c1cc2ccccc2nc1N1CCCCC1)C(=O)c1ccc2c(c1)OCO2	917623767	MYWWSYPBGFVGDX-MOSHPQCFSA-N	411.461	4.744	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1csc(COc2ccccc2)n1	918711906	BLOYLGIYNUPJCX-UHFFFAOYSA-N	401.491	4.568	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)n1	920398480	JHSHQKXYCNOLTE-CXUHLZMHSA-N	422.466	4.700	50	20	HJGD	
CCC1CCC(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1	921028459	HDLIJNOZCPRLAI-PXLXIMEGSA-N	415.541	4.703	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1	921259322	NXLUDXNIDIQNLL-AUWJEWJLSA-N	402.686	4.994	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)o3)CCC2)cc1	1791360868	VMNAICKGBNLAND-MRXNPFEDSA-N	419.319	4.509	50	20	HJGD	
CCC[C@H](C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)n1cccc1	1791604834	WNGJRIGSGYWKIR-QGZVFWFLSA-N	422.356	4.767	50	20	HJGD	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1	1814693274	KYTRHRMCOWFRKC-INIZCTEOSA-N	408.974	4.659	50	20	HJGD	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(\C#N)C(=O)NC2CCCCC2)cs1	7157750	VODJGNMWJZQTDH-LDADJPATSA-N	422.554	4.800	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCCCc2nc3ccccc3s2)c1	28349814	XWSDJEMVRQKVFS-UHFFFAOYSA-N	412.584	4.644	50	20	HJGD	
Cc1ccc(C)n1-c1c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cnn1C	72027976	YOYDADARGNYVAG-UHFFFAOYSA-N	412.708	4.545	50	20	HJGD	
CCN(CCC(F)(F)F)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	116270990	NQAYXEAIJZPALC-AQTBWJFISA-N	419.447	4.811	50	20	HJGD	
N#CCCCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1	207593997	BVSWAGCVLQWONG-FOWTUZBSSA-N	410.271	4.677	50	20	HJGD	
COc1cc([C@H](C)NC(=O)NNc2ccc(OC(F)F)cc2)ccc1OCC(C)C	726706341	IDTRERWTVSCDMR-AWEZNQCLSA-N	423.460	4.719	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H](Sc1ccccc1)c1ccccc1	728080842	QRKANPWHVPEJPO-IBGZPJMESA-N	402.479	4.713	50	20	HJGD	
COc1cc(C(C)=NNC(=O)Cn2ccc3ccccc32)ccc1SC(F)F	729637981	ORQGYOCJLOUCKO-UHFFFAOYSA-N	403.454	4.505	50	20	HJGD	
Cc1ccccc1[C@H](O)CNC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	732832353	OJEMCJALARMWAD-OBVMJLIASA-N	405.542	4.675	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H](OC1CCCC1)c1ccccc1	732977028	YHEBDKDMRYCZLT-SFHVURJKSA-N	412.877	4.534	50	20	HJGD	
Cc1noc(C)c1[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	733764408	IUXXYHBQEGGJKO-YRIIZNAFSA-N	406.461	4.622	50	20	HJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1ccc(Br)cc1F	748171021	HEKCYOVBUXYDLI-UHFFFAOYSA-N	410.246	4.884	50	20	HJGD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3cc(C#N)cs3)c2C)cc1	748439281	PJKUDQWGJNTJDC-VCHYOVAHSA-N	415.474	4.604	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O	748669786	MYDASABLTHGKEJ-GOSISDBHSA-N	407.539	4.914	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(F)(F)F	750896045	LZOCJPLUEABZML-ZBIYFRDHSA-N	410.436	4.628	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(F)(F)F	750896797	TVYNYOODJIZINO-MDWZMJQESA-N	410.779	4.835	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H](CO)Cc1ccc(O)cc1	752979415	NXAFKURTSABVQD-ZDUSSCGKSA-N	412.380	4.775	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(F)cc2Cl)nn1)c1nc(-c2ccncc2)cs1	755589623	YPIYNAQQIYOMBH-NTUHNPAUSA-N	408.849	4.642	50	20	HJGD	
Cc1cc(NNC(=O)c2c[nH]nc2-c2ccccc2Cl)ccc1Br	755803830	NDNVTUFMLFEARG-UHFFFAOYSA-N	405.683	4.558	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	756772456	IOZYHPQFYBSXDR-RBSFLKMASA-N	419.451	4.607	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)NNC(=O)c3cc4c(s3)CCC4)ccc2C)c1	756777654	KHBCJDZVGFQIDK-UHFFFAOYSA-N	422.510	4.507	50	20	HJGD	
Cc1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)ncn1	757230255	PQFRQBRPKWGMDU-LPYMAVHISA-N	421.504	4.569	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)cnn1-c1ccccc1	761588659	XBKYEZBHCAACOF-UHFFFAOYSA-N	404.392	4.651	50	20	HJGD	
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SC/C=C/C#N)cc1Cl	763300339	KFWFDLGLXLFPFM-YUMRFZOYSA-N	415.927	4.967	50	20	HJGD	
Cc1cn2c(C=NNC(=O)c3cc(-c4ccco4)nc4ccccc34)c(C)nc2s1	767046347	JVQYUTLBSDWEQR-UHFFFAOYSA-N	415.478	4.585	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNc1nc2ccccc2[nH]1	768503336	CVHHXHQUIMIMML-UHFFFAOYSA-N	417.416	4.771	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1cccc(COCC2CC2)c1	769983546	OGDRFEIVIDICFW-UHFFFAOYSA-N	408.271	4.663	50	20	HJGD	
Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777948562	UFIQKEMGKCQNRV-VIFPVBQESA-N	406.398	4.988	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1c(C(F)(F)F)nn(C)c1Cl	782106536	HPDCQOUVQCIBOK-TWGQIWQCSA-N	403.191	4.600	50	20	HJGD	
CN1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c2ccccc21	782983200	POUUZRVAHZTETI-UHFFFAOYSA-N	414.421	4.989	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccccc1OCc1ccc(Cl)cc1	790585153	CMYZFPUJTJQLNP-UHFFFAOYSA-N	415.808	4.723	50	20	HJGD	
COc1ccc(NNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	799696192	YRMBNPPSDRLRTP-UHFFFAOYSA-N	421.240	4.662	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1cccc2cccc(Br)c12	803115147	JEHVVKSGEUDZMO-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
O=C(NCC(Cl)Cl)c1cccnc1Sc1ccc(Br)cc1	816606062	XGGFKJHQIDZJQS-UHFFFAOYSA-N	406.132	4.529	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)c(F)c(O)c1F	817014282	ZZKXMOHVMQIBHQ-UHFFFAOYSA-N	418.215	4.604	50	20	HJGD	
Cc1ccccc1NNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1	865523629	OLYVKGWTETWEPU-NRFANRHFSA-N	407.901	4.653	50	20	HJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)n2)cc1C	900836062	NUJZQVJVQLTKCX-LSCVHKIXSA-N	415.522	4.800	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(C(C)C)c([N+](=O)[O-])c1	916349926	ZVIHHAHZQSHXST-UHFFFAOYSA-N	408.483	4.914	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)N1CCCC1	916549272	KBWXDJXTJQSQDJ-ZHZULCJRSA-N	416.912	4.781	50	20	HJGD	
Cn1cc(C=NNC(=O)Cc2cccc3ccccc23)c(-c2cc3ccccc3o2)n1	920376432	ZYTMKVSYAWORQG-UHFFFAOYSA-N	408.461	4.679	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1nc(N)c2ccccc2n1	1252684217	DITIUXBCXMHHFK-VBKFSLOCSA-N	409.405	4.977	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)cc3F)CCC2)cc1	1786012546	IAWIYPVBNAJHCG-UHFFFAOYSA-N	418.896	4.544	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cn3)CCC2)cc1	1786012588	NUAXIYGNYRHZOE-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
Cc1ccccc1C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Br)CCC2)cc1	1790253922	RMMCVQUEAPUYMY-HNNXBMFYSA-N	415.331	4.526	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)ccc3F)cc2)CCC1	1792107073	NRDIBSBLYQOQHR-SFHVURJKSA-N	418.896	4.599	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2F)CC1	1824614671	HGQPSEGMLKRZOM-PZJWPPBQSA-N	422.972	4.775	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(C)c2)CC1	1826488069	BSHJBPMFZWBNNQ-VXKWHMMOSA-N	419.009	4.565	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(C)C)cc2F)c1C	52021024	DPRGUHIOHYMGPH-DZGUVLCISA-N	413.493	4.784	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cnn(-c2ccc(F)cc2)c1	728176047	LTBLTIBUUKZYDE-NVNXTCNLSA-N	410.836	4.528	50	20	HJGD	
Cn1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1	730149106	SRIKQRVQWVWIEZ-JYRVWZFOSA-N	405.414	4.808	50	20	HJGD	
Cc1ccc(C(=O)CCC(=O)NNc2ccc(Br)cc2Cl)s1	733807647	ANMCFYNOQFQXLH-UHFFFAOYSA-N	401.713	4.579	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1C	734256873	PRIRTZCDNOCAMR-MDQWUCQQSA-N	405.546	4.595	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2c(F)cccc2F)cc1	735697853	MADYKLSMQZBVIP-UHFFFAOYSA-N	420.419	4.583	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	740764149	MMGBXZCDEMTXDZ-GZTJUZNOSA-N	408.864	4.886	50	20	HJGD	
COc1ccccc1-c1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cc1	741727307	JSAZURBSDBPFIV-KOWBDXASSA-N	424.504	4.665	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C3CCOCC3)[nH]n2)c(C)n1C1CCCCC1	742785442	WFMHWSLHGVNKLR-DEDYPNTBSA-N	421.545	4.773	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c3ccccn3)c2C)cc1	743655255	PAUVAPOXQCPDDZ-CBAAQYGVSA-N	414.509	4.624	50	20	HJGD	
O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NNc1ccc(Cl)nc1	743817742	CJKOBIJKGQRPEF-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
O=C(CCOc1ccccc1)NN=Cc1sc(Oc2ccccc2)nc1Cl	747051670	RCPOWPROTUCAPC-UHFFFAOYSA-N	401.875	4.508	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cccc1[N+](=O)[O-]	748681710	SYYAWDJWMZUVIV-UHFFFAOYSA-N	402.410	4.519	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1C	751354717	GOLIAYJVSKNVSE-WTEPRTALSA-N	405.542	4.624	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3ccc(C#N)c(Cl)c3)cc12	753299013	KNXHJBYVJJCLNI-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CS2	762517726	MPQUMFOEISMGLS-BXUZGUMPSA-N	402.410	4.737	50	20	HJGD	
Cc1ccccc1-n1nc(C)c2cc(C(=O)NNc3cc(F)c(F)cc3F)sc21	768066724	IBDYVZQFMOOELQ-UHFFFAOYSA-N	416.428	4.878	50	20	HJGD	
CSc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	770195423	YNWOHNCWAYBUNW-CBXNMNPBSA-N	409.555	4.860	50	20	HJGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)NNc1cccc(C(F)(F)F)c1	773739379	GNUGNPFBYLLRTG-UHFFFAOYSA-N	413.399	4.763	50	20	HJGD	
C[C@H]1C[C@H]1c1cc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n[nH]1	773747990	UAFXPLXOYNGBKA-GZMMTYOYSA-N	410.368	4.768	50	20	HJGD	
O=C(O)CC[C@@H]1CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	776683001	SPDAVAQXGKLQGY-NSHDSACASA-N	423.425	4.610	50	20	HJGD	
Cc1cc(Br)cc(/C=C(/C#N)c2nnc3n2CCCCC3)c1OC(F)F	777869824	OSAMEWISDZDSMU-JYRVWZFOSA-N	423.261	4.741	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)C1(c2cccc(Br)c2)CC1	779217296	OJSFEWMVMCRUEX-UHFFFAOYSA-N	415.209	4.523	50	20	HJGD	
COc1cccc(NNC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)n1	780775422	WZRJVMAXNGVMQY-UHFFFAOYSA-N	404.253	4.946	50	20	HJGD	
O=S(=O)(NC[C@@H]1CC1(Cl)Cl)c1ccc(S(F)(F)(F)(F)F)cc1	782983280	MTANNTYJHUBVLM-ZETCQYMHSA-N	406.225	4.816	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NNc1cc(Cl)ccc1Cl	783370084	WRPMDGUGNIMGEO-UHFFFAOYSA-N	424.328	4.780	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2cc(F)ccc12	788149895	XCACPISTISJCLR-UHFFFAOYSA-N	420.375	4.845	50	20	HJGD	
Cc1cccnc1NNC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1	791026177	FNSVQPSWUCXSBO-LBPRGKRZSA-N	401.923	4.863	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)C2CCOCC2)ccc1OCc1ccc(Cl)cc1	794958432	LHFUPYIWJHZTBD-UNOMPAQXSA-N	411.885	4.830	50	20	HJGD	
COc1ccc(-c2nc(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)cs2)cc1	797094564	GFPZJBPQRWDKNN-ZDLGFXPLSA-N	416.911	4.810	50	20	HJGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)c2cc(F)ccc2Br)C1	799112465	QPUQCCOTUNCLLS-ZDUSSCGKSA-N	404.283	4.735	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2Cl)c1C	801071548	NBKOFPOTSIPWMC-PDGQHHTCSA-N	413.905	4.647	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C1(Cc2cccc(Cl)c2)CCCCC1	807508070	VPCHEQPUVATOSW-UHFFFAOYSA-N	409.917	4.818	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2sc(-c3ccccc3C)nc2C)cc1C	812721444	SWSOJXNLPDDZRN-UHFFFAOYSA-N	409.511	4.669	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NCc1ccc(OCCCCl)cc1	814172703	ZWXXGWXHGMFWCX-LJQANCHMSA-N	408.970	4.574	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc(CC(C)C)no2)c(C)n1C1CCCCC1	861781207	RDCKXYOTGWFPBD-UNOMPAQXSA-N	410.518	4.842	50	20	HJGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)c3cc(C)n(-c4ccccc4)c3C)sc2n1	873901216	YDAKHWUNLDHSHW-UHFFFAOYSA-N	417.538	4.788	50	20	HJGD	
Cc1nc(CC(=O)NN=Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cs1	916319984	AZLDTMBVPZDMJP-UHFFFAOYSA-N	420.460	4.571	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccc(F)cc1F)c1ccc(Cl)cc1	916552328	PBHIQQCJMFJSKC-UHFFFAOYSA-N	401.800	4.627	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/C2=Cc3cc(Br)ccc3OC2)c1C	920065149	WADUDGUEOAKZMV-RQZCQDPDSA-N	409.283	4.930	50	20	HJGD	
Cc1cccc2sc(C(=O)NNC(=O)c3ccc(Br)cc3)c(Cl)c12	1321516083	YIKYWIXJGYJCAY-UHFFFAOYSA-N	423.719	4.700	50	20	HJGD	
CN1CCN(c2ccc(/C=C(/C#N)c3ncc(C(F)(F)F)cc3Cl)cc2F)CC1	1321783118	HDVGORCWPQVGDQ-ZSOIEALJSA-N	424.829	4.709	50	20	HJGD	
Cc1cc(Cl)ccc1C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1785948537	JLDJXJYXPXGOKM-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)Cc3cccs3)CCC2)cc1	1786011964	QQRYDIYEWOEEFZ-UHFFFAOYSA-N	404.963	4.690	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCBr)cc2)CCC1	1787673072	HGPUXVAOWAWKHZ-GOSISDBHSA-N	419.363	4.674	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1	1824010415	PMEBQCUTGPGYHR-MRXNPFEDSA-N	420.972	4.553	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1	3254340	YEYZJMMDJYUHOU-XMHGGMMESA-N	402.425	4.959	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1	21208904	UVAVSTIPQBSTJB-MSOLQXFVSA-N	423.604	4.640	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3cnco3)c2)c1C	108727387	CXZNPUMSBGXAGV-PADWCVLASA-N	404.470	4.513	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccncc3)ccc2C)c1C	726153454	YEXVFXLTDNMXPO-OEAKJJBVSA-N	414.509	4.667	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc([C@@H](C)O)cc2)c(C)n1C1CCCCC1	726192631	DFFFKRAMUWOHDV-IXOWOOARSA-N	405.542	4.887	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1	726797369	HJHOFEZLAPAGIL-SFHVURJKSA-N	407.436	4.745	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCOCC2)c(F)c1)c1nc(-c2ccc(C#N)cc2)cs1	727266982	LWFOPWJQGJWZKU-YBFXNURJSA-N	416.481	4.722	50	20	HJGD	
Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C/c1cnn(CCCl)c1	728699297	FSLKFZLVAZWCJC-BOPFTXTBSA-N	422.941	4.813	50	20	HJGD	
CCSc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CCOC)c2C)cc1	728835661	SCKASKQPSWUZQL-AQRZYSDFSA-N	411.571	4.648	50	20	HJGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1	728898114	IPIJTECXNAIURI-RIGQNWKOSA-N	415.541	4.702	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cc2ccccc2n1Cc1ccccc1F	730287411	KGYRQSFQDOUWCI-UHFFFAOYSA-N	410.452	4.556	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl	730493094	ASLRPUHYFIKWSO-MNOVXSKESA-N	418.107	4.865	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1	730515349	UKPVFFWXQHLKPX-IBGZPJMESA-N	415.808	4.651	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ncccc3C(F)(F)F)sc2C)cc1	740096954	WVIAXZBGDKHBAQ-UHFFFAOYSA-N	407.417	4.903	50	20	HJGD	
Cc1cc2occ(CC(=O)NNc3c(F)cc(F)cc3Br)c2cc1C	741978185	BDNSTEALKVGPRG-UHFFFAOYSA-N	409.230	4.776	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cn(Cc2ccccc2)nc1-c1cccnc1	746695453	DMESZOWDCNYOOM-UHFFFAOYSA-N	421.863	4.543	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cc(Cl)nc(C)n3)c3ccccc3n2)cc1	747986998	DSOYUCJHXBCMNB-UHFFFAOYSA-N	403.873	4.719	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2Br)cc1Oc1ccncc1	748073461	CBRORWGTRFOAQM-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccc(Br)cc3F)o2)cc1	748173632	HLJGDINBJFLGHR-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(C2SCCS2)cc1	748693675	FZGAJJUHUJABQD-UHFFFAOYSA-N	414.474	4.863	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NNc2ccc(OCC(F)(F)F)cc2)c1C	748702442	VABPNRULEXAZIA-GZTJUZNOSA-N	420.435	4.506	50	20	HJGD	
Cc1cc(-c2csc(NC(=O)c3c(C)nn(CCCl)c3C)n2)c(F)cc1F	748801105	SQIVNPQHLWRHGQ-UHFFFAOYSA-N	410.877	4.701	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1OCC	754153770	NGQPZTKQRHMLNF-UHFFFAOYSA-N	400.372	4.789	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccn2)ccc1Cl	755181503	VDORNLFNTVVMRZ-UHFFFAOYSA-N	403.225	4.721	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(SCc2ccccc2)cc1	755194087	MHTHWTULUQLRFI-UHFFFAOYSA-N	404.417	4.545	50	20	HJGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)c1sc(-c2ccccc2Br)nc1C	757526081	KXDMIFWVLJNRPQ-BVRAVYJCSA-N	420.332	4.502	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)c1	759653899	WNPDRUYTOICKHZ-BOPFTXTBSA-N	412.497	4.958	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1C	768054121	HJFUMTBOTUDLLK-UHFFFAOYSA-N	411.502	4.653	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccccc1C(=O)c1cccs1	769679083	ILKBBVQHAXWYGK-UHFFFAOYSA-N	406.385	4.635	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(Oc3ccncc3C)CC2)c1C	772806761	FVRJAGVXHRTFQF-JCMHNJIXSA-N	420.557	4.585	50	20	HJGD	
CCc1c(C(=O)NNc2ccccc2OC(F)(F)F)cnn1-c1ccc(Cl)cc1	779201365	YRRKIVONZRLEKU-UHFFFAOYSA-N	424.810	4.744	50	20	HJGD	
O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782980210	UMVVRNUFSVHEBR-UHFFFAOYSA-N	418.365	4.731	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccc2[nH]ccc2c1	789671889	MCAKCGYFXHGTST-QCHPHUCNSA-N	416.525	4.725	50	20	HJGD	
CCc1nc(C(=O)NNc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1Cl	791717676	KWYVSEDMBYNDPE-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(Oc2cc(OC)cc(OC)c2)cc1	792636392	WYJOIPMBJNZFPJ-NHDPSOOVSA-N	401.484	4.575	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1C	794650582	RPGQDKSSLWUOFE-UHFFFAOYSA-N	406.269	4.717	50	20	HJGD	
Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NNc2ccc3ccccc3n2)o1	797018329	ZSPQUKBUMGXCRJ-UHFFFAOYSA-N	420.856	4.538	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@@H](c1cccc(Cl)c1)C1CCCC1	806997858	APEMEWQVAKLYIR-HXUWFJFHSA-N	410.905	4.739	50	20	HJGD	
N#C[C@@H]1CCCC(=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1	814698105	QSUCEZAIGSVHBJ-MRXNPFEDSA-N	403.511	4.655	50	20	HJGD	
COc1cc(C(=O)NN=C2CC[C@H](c3ccccc3)C[C@@H]2OC)ccc1OC(C)C	814756039	JUHGLFGPKGPJJA-AVRDEDQJSA-N	410.514	4.551	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1C	825172144	JHBCJKKVDKBLOU-PDGQHHTCSA-N	424.932	4.841	50	20	HJGD	
Cc1ccc(CC(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1C	913453827	JMGWEPIRPBGPOO-UHFFFAOYSA-N	415.868	4.536	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C2CC2)[C@H](C)c2ccccc2)c(C)n1C[C@@H]1CCCO1	914479721	CKZUHUYJMLDSMS-RKFWSAHQSA-N	417.553	4.943	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)CCC(C)(F)F)cc2)cc1	915810651	XLRUSQDHTQBEDT-UHFFFAOYSA-N	410.486	4.521	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)[C@H](C)c1ccc(F)cc1	916488100	RPWRTWKWYJFGMC-JHMIVAEHSA-N	423.532	4.940	50	20	HJGD	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=O)c2ccccc2C)cs1	917543395	IKIGVRHPUKNIOB-UHFFFAOYSA-N	412.902	4.553	50	20	HJGD	
CCCCOc1ccc(C=NNC(=O)c2ccc(F)cc2Br)cc1OC	917550065	SLYFZCYLNNENSL-UHFFFAOYSA-N	423.282	4.540	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c(C)c1	917864180	KROILEDPBLVPKC-CVGPFBNFSA-N	421.541	4.927	50	20	HJGD	
CCCOc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(OCC)cc2)cc1OC	918590075	WCLKVJRGTSCWIY-TYSUYXETSA-N	408.498	4.667	50	20	HJGD	
Cn1cc(C(=O)NN=Cc2csc(COc3ccc(Cl)cc3)n2)c2ccccc21	918711395	XQSIAPSGOFMKCQ-UHFFFAOYSA-N	424.913	4.631	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1	918713499	MFYXVIUPDVBGKY-WLRTZDKTSA-N	413.264	4.938	50	20	HJGD	
CCc1sc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1C	929085911	IBFBLQGCBGHNJP-UHFFFAOYSA-N	414.552	4.517	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C)c(C)c3)CCC2)cc1	1786442258	CAPWPHMNPHVUSJ-FQEVSTJZSA-N	413.949	4.854	50	20	HJGD	
CCOc1cccc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)c1	1791606907	LERKNRLXNHDMGZ-UHFFFAOYSA-N	421.324	4.637	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3csc(C)c3C)C2)CC1	1808782166	UUOJZHXZJIXFTK-GOSISDBHSA-N	411.011	4.617	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1	1822017438	VWKAWIZWMBJVFW-OYNZLANYSA-N	420.985	4.636	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1	1830308276	OXMZMBOSVYIUNU-WOJBJXKFSA-N	416.949	4.684	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1830313952	UYVGKUSHMGWIJJ-VMXMFDLUSA-N	411.030	4.840	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)c1	17700088	BBWJYAJFPCJKEI-XDHOZWIPSA-N	402.425	4.959	50	20	HJGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)oc1C	209220731	NOMYAUKKNQRLHO-VBKFSLOCSA-N	402.406	4.713	50	20	HJGD	
Cn1c([C@H](NC(=O)NNc2ccccc2Cl)c2ccccc2)nc2ccccc21	726271825	ZSYGZTVLMGQMHI-HXUWFJFHSA-N	405.889	4.642	50	20	HJGD	
CC(C)(C)OCc1cccc(CNS(=O)(=O)c2ccc(CCCCl)cc2)c1	726974102	BBHUHSMKARMVQD-UHFFFAOYSA-N	409.979	4.652	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2c(Cl)cccc2Cl)c1	728430557	BGYDUWORRZDLCK-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1cccc(C(F)F)c1	729300819	WLLOTLXOEMZXDX-UHFFFAOYSA-N	407.376	4.507	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H](Sc1ccccc1F)c1ccccc1	730031467	RUWLBYPPJQBJPE-IBGZPJMESA-N	420.469	4.852	50	20	HJGD	
Cc1cc(NNC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)ncn1	734254382	HNCLNELKXBFXNO-UHFFFAOYSA-N	401.442	4.600	50	20	HJGD	
Cc1cc(NNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)ccc1Br	734254908	OTOGVCYPHCBAOG-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)nc(C)n1	736716396	CWOSGZVTRBPRPE-UHFFFAOYSA-N	404.514	4.727	50	20	HJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNC(=O)c2ccc(F)cc2Br)cc1	737806249	LBLRSJULTCDOMQ-CYBMUJFWSA-N	421.310	4.666	50	20	HJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1	741471356	ZLBMVORVGZVHPD-BVBCSLMJSA-N	401.098	4.829	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc(F)c(Cl)cc1Cl	741977823	UOPUBFQMDBUKKH-UHFFFAOYSA-N	414.008	4.930	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1	744502984	WWIWZAPIHLAFBB-SQFNAUOLSA-N	423.538	4.656	50	20	HJGD	
COCc1c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)sc2cccc(F)c12	746888675	DASNQXLWQDBBLC-UHFFFAOYSA-N	423.391	4.834	50	20	HJGD	
Cc1onc(-c2cccc(Br)c2)c1C(=O)NNc1ccc(Cl)cc1	752626653	SJGVBQNWUPIZNR-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2nc(C(F)(F)F)cs2)c1-c1ccccc1	754257203	DHWSRXMMTOYULZ-UHFFFAOYSA-N	409.437	4.537	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O	760653144	KCRROFGCWITLAN-SFHLNBCPSA-N	411.608	4.730	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ccc(OC(F)(F)F)cc3)cc(C3CC3)nc21	761590717	PMOCESPNQCPONK-UHFFFAOYSA-N	419.407	4.545	50	20	HJGD	
C[C@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1noc(-c2ccccc2)n1	761801367	UAEGUZPPKRYEDA-SFHVURJKSA-N	413.481	4.719	50	20	HJGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)C(=O)Nc1nc2ccccc2nc1Cl	767716900	HCUZFIMMJWATHA-LCYFTJDESA-N	409.902	4.943	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1nc(-c2ccc(F)c(F)c2)no1	767989335	ZOMPMFOLEZUGGA-GFCCVEGCSA-N	400.472	4.772	50	20	HJGD	
CS(=O)(=O)[C@@H]1CCCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	770741833	YMNSZUCPARUTNE-GFCCVEGCSA-N	422.441	4.775	50	20	HJGD	
Cc1cnc([C@H](C)NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)s1	773382404	WTDFRGVJVNDYLZ-VIFPVBQESA-N	415.409	4.925	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	773582486	SZNXEIBAFBBRTE-UHFFFAOYSA-N	423.363	4.880	50	20	HJGD	
O=P(CCN[C@H](C[C@@H]1CCOC1)c1ccccc1)(c1ccccc1)c1ccccc1	775534580	BYIIOOLETBJMFK-BKMJKUGQSA-N	419.505	4.758	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1	776669019	LBCTXFBZPCDANV-YVLHZVERSA-N	405.841	4.565	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1	777426105	WRLUAGKSJRGRFS-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1cc(Cl)ccn1	778448000	YCAUMLXFYBCVTL-LLVKDONJSA-N	423.325	4.808	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNc2ccc(C(C)(C)C)cc2)c1C	780805921	JRNKQXCOSDMLMY-IZQLPPHKSA-N	408.546	4.660	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OC)cc1	787153041	ABQXDSQPGVOJPH-AZZDOICSSA-N	405.281	4.795	50	20	HJGD	
CCNC(=O)Nc1cccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1C	788738373	KCZHSEJADGUSQV-UHFFFAOYSA-N	417.513	4.880	50	20	HJGD	
CC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	797643554	YOTVSJJCPKGYDK-GFCCVEGCSA-N	401.401	4.724	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cn(-c2ccc(Cl)c(Cl)c2)cn1	798110585	MDBSTVYFEHQYAG-UHFFFAOYSA-N	404.282	4.546	50	20	HJGD	
O=c1oc2ccc(OS(=O)(=O)c3ccc(S(F)(F)(F)(F)F)cc3)cc2o1	799825031	UYMKQOLKPOMVDI-UHFFFAOYSA-N	418.317	4.811	50	20	HJGD	
CC(C)n1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)nn1	806570645	GIFRHVVRQNSYPS-MHWRWJLKSA-N	420.542	4.826	50	20	HJGD	
CC(C)(C)C(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1	915970059	WCFKTCGNLHQBCH-UHFFFAOYSA-N	400.482	4.841	50	20	HJGD	
O=C(NCCCNc1ccccn1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	916676629	CTYNDLLLZAZVNY-OAHLLOKOSA-N	418.872	4.925	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cc(-c3ccccc3)cs2)cc1OC	917516308	RWZALPTUHFXRQW-UYRXBGFRSA-N	418.518	4.698	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1	917518149	WKQRSTNTZDQUTD-LDADJPATSA-N	406.482	4.920	50	20	HJGD	
COC(=O)N(C)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cc1	919893512	IEDWHUOPXZIJSS-ZHZULCJRSA-N	422.529	4.899	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1C	920267619	BXRVYFROMMMUTC-YGYUYSJASA-N	417.513	4.788	50	20	HJGD	
Cc1cc(C)c(NNC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1	1252355692	NCWXXCZTCJEZLM-OAQYLSRUSA-N	403.530	4.560	50	20	HJGD	
C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](Cl)CCC)[nH]n1	1814440635	XDMRUCGNOAZFMG-WBVHZDCISA-N	408.974	4.802	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)[nH]n1	1820850945	KEIVHZGNTUBDNC-RHSMWYFYSA-N	423.344	4.695	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccccc1-c1ccc(C)cc1)C2	1841671158	MWGKSJFBPULKKH-JOCHJYFZSA-N	424.972	4.887	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1	7634962	TWAHISYOJRPRNR-VUVCFOEZSA-N	412.873	4.525	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)Nc1ncc(Cl)cc1Cl	11384729	NVPTWWYZTUKHMA-ZYHUDNBSSA-N	423.387	4.973	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2C)c1C	16999844	FQXLDFUULQMPCH-YRXLECQKSA-N	421.541	4.999	50	20	HJGD	
COc1cc(C(=O)NNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)ccc1OC(C)C	303770866	QPOGIJJSADAWQR-QGZVFWFLSA-N	412.530	4.561	50	20	HJGD	
CC[C@@H](CC(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1	728962383	RLRGYVHGRMDZHG-IBGZPJMESA-N	422.550	4.855	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)c1C	729961230	UUASCHFCBASSGC-DEDYPNTBSA-N	423.557	4.533	50	20	HJGD	
COc1cc(C=NNC(=O)c2cccc3ncccc23)c(-c2ccccc2)cc1OC	730146884	HZAGAFLLBYHARM-UHFFFAOYSA-N	411.461	4.683	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(C)c1	730595967	IVPXIFFALWZLIT-GJZGRUSLSA-N	408.354	4.732	50	20	HJGD	
COc1ccc2cc(/C=C\C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)ccc2c1	732976070	GOOYVUFTYVMTQL-JYOAFUTRSA-N	420.856	4.708	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1ccc(O)c(Cl)c1	734093402	DWDLAPWQSVILNK-UHFFFAOYSA-N	423.687	4.610	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)C2CCOCC2)c1C	734352118	OAPFCAPVAGDLDE-VOGGAGISSA-N	405.542	4.706	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C[S@@](C)=O)c2)c(C)n1CCC(C)C	734403975	HXIXHUYDRVCUDB-WEUSUWRTSA-N	411.571	4.575	50	20	HJGD	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NNc2cnnc3ccccc23)c1	735116246	FBDMGSJMPARQGK-UHFFFAOYSA-N	415.840	4.704	50	20	HJGD	
C[C@@H](C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccs1	738506955	DPBWYICGCDYOFC-MRVPVSSYSA-N	407.870	4.542	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)c(C)n1CCC(C)C	742926061	UEAOHLBWERCSJR-QUYZQLMHSA-N	411.550	4.616	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc3ccccc3n2CC)c1C	743729831	JEQDQDPZEWDBPD-TYSUYXETSA-N	403.530	4.669	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)NNc1cccc(C#N)c1)c1ccccc1Cl	745842691	GNVCUCAUUVWABY-OAQYLSRUSA-N	406.873	4.636	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1	747524183	YFVTYFBAAQEINZ-JTQLQIEISA-N	400.306	4.562	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)o1	752776981	GZPODISXTMPKSW-UHFFFAOYSA-N	405.237	4.762	50	20	HJGD	
Cc1noc(C)c1CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	756158438	STPBDMQBSSHCSV-XDHOZWIPSA-N	407.445	4.531	50	20	HJGD	
COc1ccc(-c2cncc(C(=O)NNc3ccnc4cc(Cl)ccc34)c2)cc1	758247706	GNPXTLYZKXOBDI-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCCC[C@@H]1c1nc2ccccc2o1	761854021	DPENKIPUHYXRJF-GOSISDBHSA-N	404.919	4.525	50	20	HJGD	
CC1(C)C[C@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C(C)(C)O1	762681161	WTJZODPLZMTYFP-LBPRGKRZSA-N	416.412	4.745	50	20	HJGD	
CCSc1cc(Cl)ccc1C(=O)NNC(=O)CCSc1ccc(F)cc1	763844211	XLIDBJYWSTVKSG-UHFFFAOYSA-N	412.939	4.535	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CCC(C(F)(F)F)CC2)cc(OCC)c1OCC	766010341	RIHDIYDRKUZESG-UHFFFAOYSA-N	416.440	4.721	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	767028521	DIWNCBPJNMUSNJ-JLIMGVALSA-N	412.212	4.822	50	20	HJGD	
CCc1c(C(=O)NNc2c(Cl)cc(F)cc2Cl)cnn1-c1ccc(F)cc1	768009917	WVZQVTSQTHYANR-UHFFFAOYSA-N	411.239	4.777	50	20	HJGD	
CCc1nc2ccccc2n1C1CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CC1	772380225	XCASRQMSEBLVBQ-NHDPSOOVSA-N	401.470	4.708	50	20	HJGD	
O=C(NCCOC1CCCCC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772946261	LLNNRHMBOZFSPH-UHFFFAOYSA-N	416.412	4.748	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(C(F)(F)C(F)(F)F)cc1	775607533	JXJMTNXHPJBXES-UHFFFAOYSA-N	414.256	4.903	50	20	HJGD	
CC(C)(C)[C@H](CC(=O)O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776571874	YBOVAYBNYCQDEZ-NSHDSACASA-N	411.414	4.512	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)nn1-c1ccc(Cl)c(Cl)c1	777425494	AIMOPIDRSIHBPR-UHFFFAOYSA-N	415.202	4.662	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc4ccccc4n3)c3c(C)noc3n2)cc1	777460175	OHXBLJWHHSCYKW-UHFFFAOYSA-N	409.449	4.812	50	20	HJGD	
Cn1c(/C(C#N)=C\c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)nc2ccccc21	777466277	WKANYNVQHIOORH-YVLHZVERSA-N	407.399	4.901	50	20	HJGD	
C[C@@H]1CCCCN1CCCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777856747	GKYOYCDCNOMDKV-CYBMUJFWSA-N	422.485	4.887	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@H]1CCSc2c(F)cccc21	779526052	ZZMYREPYACZFMY-LBPRGKRZSA-N	401.385	4.588	50	20	HJGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(Br)cc2C(F)(F)F)CCO1	780496269	NPYCIPQUPSBDAE-CMPLNLGQSA-N	409.246	4.506	50	20	HJGD	
CSc1ccc(Cl)cc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782820772	HWJLJTGBFKPZSY-UHFFFAOYSA-N	411.914	4.870	50	20	HJGD	
CN(C(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1Cl)C1CCCCC1	788052493	DVJPCAXYKHVFKA-UHFFFAOYSA-N	421.390	4.505	50	20	HJGD	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1	790590908	FWXGCBPQIIJFAD-UHFFFAOYSA-N	422.844	4.519	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(C(C)(C)C)nc2)c(C)n1C[C@@H]1CCCO1	797303364	QUJAUVVMBLZCKT-ATEMXAKRSA-N	421.541	4.627	50	20	HJGD	
Cc1ccc2c(C(=O)NNC(=S)Nc3cccc(Br)c3)csc2c1	798124514	XLOPLPDNWWHCCU-UHFFFAOYSA-N	420.357	4.604	50	20	HJGD	
Cc1cc(Br)c(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1Cl	804468313	PLKYQUMUIKLSED-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(Br)cc1F	807562158	IDRRXRNVMJREGP-VIFPVBQESA-N	418.213	4.577	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cncc(Cl)c2Br)c1C	808873022	GHULHCNINDCMPW-VGOFMYFVSA-N	421.726	4.872	50	20	HJGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)c1cc(F)ccc1Br	814220741	HOKXZUWBSYIRFB-NJXMTWLRSA-N	405.267	4.554	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	816664006	RDVJCTJPJDCMMY-UHFFFAOYSA-N	402.376	4.780	50	20	HJGD	
COc1ccc(Nc2nc(COC(=O)/C(C#N)=C/c3ccc(C)cc3)cs2)cc1	913229320	XQOWXZWWRJOCPN-GZTJUZNOSA-N	405.479	4.854	50	20	HJGD	
O=C(NC[C@H](O)c1ccccc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918160735	QCDDDZQLSAZODG-ZFWWWQNUSA-N	404.841	4.761	50	20	HJGD	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	918668864	UYLRAIOHYIVPAQ-WSDLNYQXSA-N	420.557	4.753	50	20	HJGD	
O=C(NCc1ccco1)NNC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl	920888721	ZEZDCSUKPNMWBM-UHFFFAOYSA-N	420.252	4.523	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1	1116075081	XKXPOVMEFBJGCX-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)cc1	1318441822	VNRPQSIWWBANHR-UHFFFAOYSA-N	424.504	4.679	50	20	HJGD	
CC(C)CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CBr)CCC2)cc1	1791251828	ULGHPBOOIOUAMT-HNNXBMFYSA-N	409.368	4.588	50	20	HJGD	
CC[C@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)CCl)c1ccccc1	1792881224	WNECOWOURNFVTM-RQUKQETFSA-N	419.009	4.720	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2F)CC1	1824608988	FLUJFKIDNNAUBZ-WBVHZDCISA-N	414.974	4.528	50	20	HJGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2sc3cc(F)ccc3c2Cl)c1C	18103013	JISOZULWOZHUTL-LBPRGKRZSA-N	420.893	4.539	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cc3ccc(OC)cc3nc2C)cc1	26773022	JWCQYWVEIDBOSD-UHFFFAOYSA-N	422.554	4.526	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1	34890025	XXXYLAOZQSUGQE-ZDLGFXPLSA-N	417.461	4.884	50	20	HJGD	
N#C/C(C(=O)CSc1ncnc2sc3c(c12)CCC3)=C1/Nc2ccccc2S1	115023941	SVNQSAKQWQTGBN-LDADJPATSA-N	422.560	4.794	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)C(=O)NC1CCCCC1	208856117	DEOWWZXBUZQHSX-AQTBWJFISA-N	407.901	4.948	50	20	HJGD	
Cc1ccc(N2C(=O)CC[C@@H](C(=O)NNc3ccc(F)cc3)[C@H]2c2cccs2)cc1	301239292	IUWGIWBOXCVQRG-KNQAVFIVSA-N	423.513	4.823	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2csc(-c3ccccc3F)n2)cc1	728318421	CMSZJJBSOZJUNZ-WJDWOHSUSA-N	408.454	4.998	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2csc(COc3ccc(F)cc3)n2)cc1	728881771	PFGDKWZZPXJOPE-MHWRWJLKSA-N	424.453	4.520	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)NC(CC(C)C)CC(C)C	728961246	DIFJIVFFOLCGLL-UHFFFAOYSA-N	402.564	4.523	50	20	HJGD	
CC1(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CCCC1	731174075	VBWVBCBACUYWDY-AQTBWJFISA-N	421.932	4.721	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc(Br)cc3Cl)c2C)cc1	733808214	VKSKDSLOKAAEOD-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1csc(-c2cccc(C(F)(F)F)c2)n1	733811376	GYWWMGSSNJIRPH-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	733910542	LCFATFFFTNFKJO-HXUWFJFHSA-N	420.944	4.782	50	20	HJGD	
C[C@](O)(CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccccc1	734060288	UGNLTBVNZLTTLK-RDJZCZTQSA-N	418.868	4.935	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)c(C)c1	738556501	VBWLQNCSNDBZRZ-CYBMUJFWSA-N	409.477	4.834	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(OC(F)F)cc1	741770836	NGKRWMRSHVJQGT-UHFFFAOYSA-N	416.340	4.612	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H](c1ccc(F)cc1)C1CCCC1	743627944	IVGMUKXMADTBOK-QFIPXVFZSA-N	405.473	4.854	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1	744572180	XPWJEZPKPSFBJL-UHVIJJLKSA-N	412.873	4.525	50	20	HJGD	
CCc1cnc(CNC(=O)NNc2c(Cl)cc(Br)cc2Cl)s1	745904313	KFPUZJVBGOEKMK-UHFFFAOYSA-N	424.151	4.601	50	20	HJGD	
COCC1(C)CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762675279	XYDJAIFZSXIGHE-UHFFFAOYSA-N	416.412	4.558	50	20	HJGD	
C[C@@H](OC(=O)[C@@H](Br)C(C)(C)C)C(=O)Nc1cccc(Cl)c1Cl	766751792	NKDGJHRAAQVKOD-PRHODGIISA-N	411.123	4.673	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1	767094461	VNTRPHFSAJNVPY-NSHDSACASA-N	417.225	4.637	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2Br)cnn1-c1cccc(C)c1	768093275	IRBKZMWNRZFNKK-UHFFFAOYSA-N	413.319	4.653	50	20	HJGD	
CN(C(=O)c1ccccc1NC(=O)NNc1nc2ccccc2s1)C1CCCCC1	769972049	GHJXYZDCTJEAJK-UHFFFAOYSA-N	423.542	4.850	50	20	HJGD	
CNC(=O)c1cc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1Cl	769974654	QMFWXIKQEKCKIH-UHFFFAOYSA-N	422.099	4.808	50	20	HJGD	
CO[C@@H](C)CN(C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(C)C	773671734	COYHSNQJBVEOCI-NSHDSACASA-N	404.401	4.554	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)c1	784885417	WPUFDMPPESJHSL-QGZVFWFLSA-N	421.472	4.664	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1nnc(-c2cc3ccccc3o2)s1	787461960	LOROPVPGPKVULJ-UHFFFAOYSA-N	402.439	4.648	50	20	HJGD	
O=C(O)[C@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1cccs1	790617895	VPVQKSALEOOYSA-LLVKDONJSA-N	423.406	4.510	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)c1csc(-c2ccc(Cl)cc2)c1	794236204	YNMIMUKTCNSWEH-UHFFFAOYSA-N	417.943	4.709	50	20	HJGD	
CCc1cc2oc(=O)cc(COC(=O)/C(C#N)=C/c3ccc(OC)cc3)c2cc1Cl	798304098	IZPUMFLJCMFIQI-LZYBPNLTSA-N	423.852	4.668	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2C)c1C	807724996	LVZCBRZSWHPDDV-NNIWKIFQSA-N	409.530	4.625	50	20	HJGD	
CC(C)(C)OC(=O)N1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc21	810052307	PQDMMBWRFOHZDE-WOJGMQOQSA-N	406.442	4.721	50	20	HJGD	
O=S(=O)(Nc1cccc2nc(O)oc12)c1cccc(S(F)(F)(F)(F)F)c1	811707507	CJCHYAHIVOHKTR-UHFFFAOYSA-N	416.349	4.992	50	20	HJGD	
COc1cc(C(=O)NNc2cccc(Cl)n2)ccc1OCc1ccccc1Cl	817011345	PMAIQLCEDAYDHG-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccnc1Nc1cccc(C(F)(F)F)c1	849508614	AFHULUNRVQQVCV-UHFFFAOYSA-N	417.347	4.509	50	20	HJGD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	914454354	SWABMWRRYCCWQU-VLZFXTDASA-N	420.557	4.894	50	20	HJGD	
O=C(Nc1cccc(C=NNC(=O)c2c[nH]c3ccccc23)c1)c1ccccc1Cl	916287439	DHKPXFSSJJNHKH-UHFFFAOYSA-N	416.868	4.838	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCOC)c2C)cc1Cl	917782643	SLQSCXLLSCYCEH-LDADJPATSA-N	415.921	4.739	50	20	HJGD	
COc1ccc(C)cc1C1(CNC(=O)CCCC[C@H]2CCSS2)CCOCC1	919893155	LUJMVZFXCYIYMW-SFHVURJKSA-N	423.644	4.882	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(OC)c(OCc3ccccc3)c2)n1	920387709	NWDBZLSHLBCFIW-WOJGMQOQSA-N	420.490	4.972	50	20	HJGD	
C[C@H](C(=O)NC1(c2ccc(NC(=O)CO[Si](C)(C)C)cc2)CCC1)c1ccccc1	1789650401	NISKUXUNIJWZBC-SFHVURJKSA-N	424.617	4.776	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1820858764	STKRPYYNRUSXDS-XBOKISCZSA-N	406.958	4.556	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccccc2Oc2cccnc2)cc1	728318681	GDXQLMKRYZUJRY-XSFVSMFZSA-N	400.434	4.923	50	20	HJGD	
O=C(NN=Cc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1Cl	728782890	XWNJVYPRKKHBPJ-UHFFFAOYSA-N	405.601	4.885	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)NCc1ccc(Cl)cc1	729307143	JKDJZYVOYYXKSY-BBRMVZONSA-N	401.981	4.602	50	20	HJGD	
CC(C)Cc1ccc([C@H](NC(=O)NNC(=O)c2cccc3ncccc23)C(C)C)cc1	730113576	SXVDWYGNBPOZRI-HSZRJFAPSA-N	418.541	4.775	50	20	HJGD	
CNC(=O)c1ccc(COC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1	731373715	UBAOIAXDJMEJAW-HYARGMPZSA-N	419.525	4.620	50	20	HJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1F)C(=O)Nc1nc(-c2ccncc2)cs1	733206411	IWEPICORKJTPJY-QPEQYQDCSA-N	418.375	4.909	50	20	HJGD	
O=C(NN=C(CC1CCCCC1)c1ncccn1)c1ccc(COc2ccccc2)o1	733906730	FQNSAACMGRGZGY-UHFFFAOYSA-N	418.497	4.753	50	20	HJGD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	737801251	AJLYXMZGPNMTNU-SNVBAGLBSA-N	401.772	4.589	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C)c1ccncc1	741586194	QRHOLJIDLLAAAJ-VOSMRYOYSA-N	402.473	4.803	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)cc1NC(=O)OC(C)(C)C	742554594	YDAKJNMNSNRAQB-UHFFFAOYSA-N	419.481	4.570	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)o1	746334952	FJRHKGGCVYJZSH-UHFFFAOYSA-N	410.861	4.659	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1ccc(Oc2cccc(Br)c2)nc1	748089174	HJFJSQFMELHGRD-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc(F)c3)c3cnn(C(C)C)c3n2)s1	748091309	PODAJXBPACEZJC-UHFFFAOYSA-N	409.490	4.945	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccn(Cc2ccccc2)c1=O	748669040	AVXPPTJBGFIPLM-UHFFFAOYSA-N	417.534	4.847	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(CSc2ccccc2)cc1	755187317	MYNBDZHWOYEVIT-UHFFFAOYSA-N	404.417	4.545	50	20	HJGD	
Cc1nc(-c2cccc(NC(=O)NNC(=O)Cc3ccc4ccccc4c3)c2)oc1C	756195364	ZUTNQNGMKJSHAM-UHFFFAOYSA-N	414.465	4.507	50	20	HJGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1	756465854	MIKDDYXUTPPVNV-UHFFFAOYSA-N	411.465	4.519	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)Nc1ccc(CCC(F)(F)F)cc1	757615481	ZYJCPPRIIIUZDG-UHFFFAOYSA-N	415.415	4.730	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)c(Br)c1O	761015580	NXOWKDBOZGGFPA-NTEUORMPSA-N	412.243	4.586	50	20	HJGD	
C[C@H](C(=O)NNc1cccc(Br)c1)c1cccc(C(=O)c2ccccc2)c1	761996719	OBQVBJOYSFUWPN-HNNXBMFYSA-N	423.310	4.927	50	20	HJGD	
CCSCC[C@@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762663972	GULMQLDTKMURLU-SNVBAGLBSA-N	406.442	4.930	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1	768696768	YHQIPQFUPREVPT-UHFFFAOYSA-N	411.899	4.702	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Br)cc1OC	769778503	YHDXTXOSZOOVHD-GHXNOFRVSA-N	421.678	4.665	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	771158272	KIKPIVXUWMFVSB-AWEZNQCLSA-N	402.470	4.868	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc2ccc(Br)cc2n1)c1ccccc1	771520138	KLWFGGRQWWKNRY-SWEABUAFSA-N	406.283	4.782	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc3ccc(Br)cc3n2)n1	771521599	UBDDFKMPUOVNID-GHXNOFRVSA-N	414.284	4.695	50	20	HJGD	
Cc1ccccc1CCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772824057	UECXZIMRBXXLQG-UHFFFAOYSA-N	408.392	4.950	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2nc(C(F)(F)F)cs2)c1	772916645	OKTFPMOPLGCAJH-UHFFFAOYSA-N	407.417	4.985	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(Cl)c2C)c(OCc2ccccc2)c1	773768566	MQIUIECLPNOOFY-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
O=C(NC[C@H]1COC2(CCCC2)O1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	774025835	NTLDLMJQJOGTJF-FZMZJTMJSA-N	424.872	4.713	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3ccc(C(F)(F)F)cn3)s2)cc1	775256749	MLRFHUWMQAISMX-UHFFFAOYSA-N	422.432	4.688	50	20	HJGD	
COc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1OCC(F)(F)F	775482335	UTVAMXHQPXWHIF-UHFFFAOYSA-N	423.313	4.804	50	20	HJGD	
CC[C@H](c1ccccc1)c1nnc(NC(=O)NNc2ccc3ccccc3n2)s1	775609625	ATGFJPRYGKOJAN-MRXNPFEDSA-N	404.499	4.777	50	20	HJGD	
C[C@@H](Oc1cccnc1NC(=O)NNc1ccc(C(F)(F)F)cn1)c1ccccc1	775807577	STFRBFSIBKYNRI-CYBMUJFWSA-N	417.391	4.784	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2OC(F)(F)F)cnn1-c1ccc(F)cc1	779201559	JBJYMXNQDCDTMA-UHFFFAOYSA-N	422.382	4.619	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1csc(Cc2cccc(F)c2)n1	780330573	XEKISQRCZZTGDM-UHFFFAOYSA-N	412.877	4.832	50	20	HJGD	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)CCCCCl)c1	780837797	VMBJKPYWCLRAEH-LEWJYISDSA-N	407.963	4.575	50	20	HJGD	
Cc1cc(-c2ncccc2NC(=O)C(=O)NNc2c(Cl)cccc2Cl)cs1	782713927	OQGMLISZDXSLSF-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
Cc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)c(-n2cc(Cl)cn2)n1	787335771	MJFFMJOTVPVPDK-MRXNPFEDSA-N	410.996	4.559	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	787509846	INEQACOBSWFVJV-YHVDPYDOSA-N	414.305	4.738	50	20	HJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2cccc(F)c2[N+](=O)[O-])cs1	791148428	YDVUXMAIMGORNP-UHFFFAOYSA-N	418.475	4.548	50	20	HJGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	794872727	MCZFSDRTENMSKU-BOPFTXTBSA-N	412.415	4.951	50	20	HJGD	
CCCOc1ccc(C(=O)NN=C2CCC(N(C)Cc3ccccc3)CC2)cc1OC	797785751	SMDVKIMNMKNHTE-UHFFFAOYSA-N	423.557	4.644	50	20	HJGD	
Cc1oc(C(C)C)cc1C(=O)NNc1c(Br)cccc1Br	803385907	HZNLCNHXSIXEFR-UHFFFAOYSA-N	416.113	4.993	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1OCc1ccc(Cl)cc1	803433165	XNGJWVILVJBPJD-UHFFFAOYSA-N	419.868	4.517	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(F)cc1F)c1csc(-c2cc(F)ccc2F)n1	810351092	LBGZALDUJOYQHR-UHFFFAOYSA-N	409.408	4.787	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812249087	WGYBVAFXZUUXFZ-WQLSENKSSA-N	400.809	4.612	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1Cl)[C@@H]1OCCc2sccc21	815856000	QNOWMSLDKUDCTJ-VFZGTOFNSA-N	415.740	4.557	50	20	HJGD	
CC(C)Cc1ccc([C@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C(C)C)cc1	915933975	SKTNVLCOKCCUIJ-HSZRJFAPSA-N	418.541	4.775	50	20	HJGD	
O=C(NN=C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1OCc1ccc(F)cc1	916294349	AEGBSJQVAWNGNA-VXXHEZAHSA-N	419.412	4.742	50	20	HJGD	
COCCOc1cc(C)ccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	916696263	CVHSKJYHIBODAU-UHFFFAOYSA-N	405.498	4.764	50	20	HJGD	
Cc1ccc(Cl)c(OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1	916856429	KNRDAEVYOXEWOM-QGOAFFKASA-N	416.868	4.938	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)nn1	1318587139	XIHXZOTYMJHYTO-UHFFFAOYSA-N	419.510	4.915	50	20	HJGD	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)CO[Si](C)(C)C)cc2)CCC1	1789649694	GMLXJQGNPXQZIN-UHFFFAOYSA-N	402.611	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3)CCC2)cc1	1790484576	QPCGJHVLLHSYLO-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
C[C@H](C(=O)Nc1ccc(C2(NC(=O)CO[Si](C)(C)C)CCC2)cc1)c1ccccc1	1792312166	QDJZQWCXMWAFAP-SFHVURJKSA-N	424.617	4.776	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)CCc3cccc(C)c3)CC2)C1	1806153941	QOGLZDAAXZWOEP-OAQYLSRUSA-N	419.009	4.566	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)CC1	1825439529	QOOOZQOCIZZXCC-OALUTQOASA-N	422.013	4.563	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)CC1	1832367982	VEHWXTGYGKASRL-IHPCNDPISA-N	411.030	4.697	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)c1C	21129876	HLURIVBBEHWKRS-YCPFAOKUSA-N	413.905	4.646	50	20	HJGD	
N#C/C(=C/c1cnc2ccc(Br)cn12)C(=O)Nc1cccc2ccccc12	97591118	YWUUURJLHSMYAU-GDNBJRDFSA-N	417.266	4.796	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)cc(C#N)n1C	725732493	IXEURKSSCPOSGW-WBRURWICSA-N	410.477	4.782	50	20	HJGD	
COc1cc(C(=O)NNc2ncccc2Cl)ccc1OCc1ccccc1Cl	734246035	MCSWDJSUQRZLPZ-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
N#C/C(=C/c1ccc(-c2c(F)cccc2F)o1)C(=O)Nc1ccc2c(c1)OCCO2	734367608	KJBCJPAUQRFYIK-RAXLEYEMSA-N	408.360	4.542	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(Br)cn2C(C)C)ccc1Br	743416820	SXZGBLRKUJLNEE-UHFFFAOYSA-N	415.129	4.659	50	20	HJGD	
O=C(NCc1cc2ccccc2o1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743557976	WWNKHHMPFVJYSE-UHFFFAOYSA-N	400.438	4.636	50	20	HJGD	
CCc1noc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)n1	744553249	FSFVKQFYXMKOKG-LSPINASFSA-N	404.470	4.559	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(Br)cc2F)cc1[N+](=O)[O-]	748201124	NIGFLJKWHFNXTR-UHFFFAOYSA-N	410.243	4.551	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c1C	748648268	DWVYETGFWRMGIN-RCCKNPSSSA-N	418.541	4.605	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCC2	752811852	AJJWXIRLWXOHBX-UHFFFAOYSA-N	405.260	4.564	50	20	HJGD	
CS[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1N(C)C	752976117	DDNWGVKSMFLLLO-STQMWFEESA-N	405.458	4.853	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(Oc2cccc(Cl)c2)cc1	755197417	MFOAREUDXRDGOV-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
O=C(CCCc1csc2ccccc12)NNC(=S)Nc1cccc(Cl)c1	755624705	TWZFNGZQVNDGFZ-UHFFFAOYSA-N	403.960	4.895	50	20	HJGD	
CCc1c(C(=O)NNc2ccccc2Br)cnn1-c1ccc(Cl)cc1	771422641	UOFPKMKZRLPMHH-UHFFFAOYSA-N	419.710	4.608	50	20	HJGD	
Cc1cccc(OCCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	772829656	CFWDBOKKJFLRJN-UHFFFAOYSA-N	424.391	4.786	50	20	HJGD	
CC(=O)N(Cc1ccc(NC(=O)NNc2c(Cl)cccc2Cl)cc1)C1CC1	775629574	BNSPVGMCSRHDHU-UHFFFAOYSA-N	407.301	4.653	50	20	HJGD	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	776646030	XFCNDUIZASZUHX-PDGQHHTCSA-N	411.417	4.610	50	20	HJGD	
O=C(O)c1c(F)cccc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777614112	HVGAROFNIUACEK-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)NNc3cccc4cnccc34)cccc21	779011990	PUELWMBJOKWQBA-UHFFFAOYSA-N	418.497	4.679	50	20	HJGD	
O=C(NN=Cc1cnc(-c2ccco2)s1)c1cc(-c2ccco2)nc2ccccc12	782150411	RXLZYFVWYHGRSA-UHFFFAOYSA-N	414.446	4.975	50	20	HJGD	
CCCOc1ccc(NC(=O)C(=O)NNc2cc(Cl)ccc2Cl)cc1Cl	783368510	XIXYCSHKCBHDRY-UHFFFAOYSA-N	416.692	4.517	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(OC)c(OCCCC#N)c1)c1ccccc1	787144158	GWNGHKVGFNJZPX-MEPUESOJSA-N	403.482	4.552	50	20	HJGD	
CCOc1c(Br)cc(/C=C(/C#N)c2cnc3ccccc3n2)cc1OC	790229053	WKXJTAPWXVKREP-ZSOIEALJSA-N	410.271	4.864	50	20	HJGD	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)NNc1ccc(F)cc1C	793712190	RJEMLMJXTMTPCX-UHFFFAOYSA-N	418.266	4.871	50	20	HJGD	
N#C/C(=C/c1cscc1Br)C(=O)Nc1nc(-c2ccncc2)cs1	794688094	WQKCFNMYTQTTRX-WZUFQYTHSA-N	417.313	4.575	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1	794953828	PGLXXSWMRCAERR-QGZVFWFLSA-N	412.509	4.645	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1cnc2ccccc2n1	797986958	BSXKXBQDRUSQNK-UHFFFAOYSA-N	414.252	4.657	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C)c(C)n1C1CCCCC1	804562694	FHQZBMFQGHMUMW-ZRKJRZERSA-N	408.590	4.601	50	20	HJGD	
O=[N+]([O-])c1cc(CNCc2ccc(OCCCCl)cc2)cc(C(F)(F)F)c1	811496752	KRJHJPBPGUUCMZ-UHFFFAOYSA-N	402.800	4.911	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(-c2ccc(C(F)(F)F)cc2)o1	814321793	ZGVUFCWRXZUGSC-UHFFFAOYSA-N	409.295	4.770	50	20	HJGD	
COCc1cccc(CC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	817016716	IOUFTYJMMVHHKI-UHFFFAOYSA-N	406.326	4.556	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(CSC(F)F)o1	915851281	ALRIDBNWPJGROF-GHXNOFRVSA-N	408.426	4.647	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)c1nc(O)c2c3c(sc2n1)CCCC3	915983929	ZXTDBTIPZRSXMC-XFXZXTDPSA-N	417.519	4.858	50	20	HJGD	
COC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cc1	916473971	YHJFRUHXIXBZKO-CPNJWEJPSA-N	408.502	4.875	50	20	HJGD	
C[C@@H](OCCCNC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1	918196873	GCNKWJNVJXVJPF-GFCCVEGCSA-N	416.831	4.548	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc(Br)c1O	918714383	UEBITRCMSCEQJK-PXNMLYILSA-N	400.272	4.960	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2ccc(C(C)(C)C)nn2)c(C)c1	1251944292	ZVEXSYSFGNASFH-UHFFFAOYSA-N	407.543	4.694	50	20	HJGD	
COc1ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)s1	1786011377	NCQDPPQWBYRBJQ-UHFFFAOYSA-N	420.962	4.769	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c(F)ccnc3Cl)cc2)CCC1	1786990827	HDUUBYRONOLZQB-AWEZNQCLSA-N	424.303	4.639	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3F)cc2)CCC1	1786997190	TURFWKUUDPTOCB-OAHLLOKOSA-N	424.303	4.639	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)CCC1	1787760321	FZUSJXJCMRCIBG-UHFFFAOYSA-N	416.924	4.767	50	20	HJGD	
COc1c(C)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)cc1C	1788588638	FJMVWEQZHHNNLG-LJQANCHMSA-N	418.896	4.594	50	20	HJGD	
C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)CC=CCC1	1791992914	CTRZIIPKUMQMGY-JOCHJYFZSA-N	414.622	4.718	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](Cl)CCC)[nH]n1	1819303348	UGGFVZZQWSLQQN-RYRKJORJSA-N	406.958	4.578	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)ccc2F)n[nH]1	1821101362	BKARZEXQNYPGPA-CRAIPNDOSA-N	420.916	4.571	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1	1830750259	NQIKFTURSAEULE-VXKWHMMOSA-N	416.993	4.815	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(C)C)cc2F)c1C	52021023	DPRGUHIOHYMGPH-WSLMLHKMSA-N	413.493	4.784	50	20	HJGD	
O=S(=O)(c1ccc(CCCCl)cc1)N(Cc1ccsc1)c1cccnc1	60379063	KMLFPUTVUPAPIC-UHFFFAOYSA-N	406.960	4.710	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C	105284152	STVSQIFQVFJBBZ-AYCSXLNKSA-N	421.419	4.757	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)C(=O)NCc1ccccc1	207819642	UTJMAEZOHOMTBX-MOSHPQCFSA-N	415.880	4.816	50	20	HJGD	
O=C(NNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)NC1CCCCC1	216876369	PMVBTUBTDXXFLT-UHFFFAOYSA-N	421.419	4.774	50	20	HJGD	
N#Cc1cnc2ccccc2c1OCCOC(=O)CCCC[C@H]1CCSS1	726362530	DBCGLYPAIBSOAL-INIZCTEOSA-N	402.541	4.743	50	20	HJGD	
CC[C@](C)(NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccccc1	730762139	VAWOSYAIKJRWSA-XSCCAFSTSA-N	405.542	4.633	50	20	HJGD	
CCN(C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@H](C)c1cccc(C(F)(F)F)c1	731221245	HVIBGERHFVLRMZ-OAHLLOKOSA-N	421.463	4.807	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c1C	732298519	CRZQXLCBPFQUBS-ZYEUVFMNSA-N	420.340	4.579	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2Br)cc1OC	742429007	CKWLOUDLNKKBHV-GHXNOFRVSA-N	421.678	4.665	50	20	HJGD	
COc1ccc(NC(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1	743811979	LGFVYBQMUPJMMF-UHFFFAOYSA-N	403.653	4.514	50	20	HJGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	745037136	AMWGWDSTJOSKNT-SNVBAGLBSA-N	401.677	4.760	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccc(F)cc2)C2CC2)c(C)n1C[C@@H]1CCCO1	747594268	JRJHPWSJYRVARP-GXPYYPFNSA-N	421.516	4.521	50	20	HJGD	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1	748017550	ATVBSVHFPJHDKG-UHFFFAOYSA-N	408.329	4.868	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)s1	748811085	SLBAEBZYJOZVCL-UHFFFAOYSA-N	406.389	4.566	50	20	HJGD	
CC(C)(C)n1ccnc1SCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	749560937	HABBSGZMDZDYMV-UHFFFAOYSA-N	407.754	4.834	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@H]1CCCOc2ccccc21	750339475	WWHQUSGZZLIDDM-LBPRGKRZSA-N	401.681	4.582	50	20	HJGD	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	752485498	NXNINNWKQXERLD-QLENYVDCSA-N	409.461	4.957	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)o1	752525138	WBVRAFSZKVGNLT-UHFFFAOYSA-N	424.453	4.840	50	20	HJGD	
Cc1ccnc(NNC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c1	755845657	JOIPUQCKXGYUHV-UHFFFAOYSA-N	411.918	4.568	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1ncc(C2CCCCC2)s1	756170555	YUAXHASKNVQCPS-UHFFFAOYSA-N	413.330	4.579	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1[N+](=O)[O-]	757668723	RNDQIHSVNJKQJA-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1cc2ccccc2o1	762448505	IECYJIUYPAJNEX-SJLPKXTDSA-N	411.502	4.718	50	20	HJGD	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1ncnc2ccsc12	766671684	PCHDPUOOCCQGSP-UHFFFAOYSA-N	420.281	4.718	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C\c3ccc(F)cc3Br)nc(O)c2c1C	767717601	CKWOFLVXBYQKMD-WZUFQYTHSA-N	404.264	4.980	50	20	HJGD	
O=C(NNC(=O)N[C@@H]1CCCc2sccc21)Nc1ccc(-c2ccccc2)cc1	768518470	UVGVACYZODPPRY-LJQANCHMSA-N	406.511	4.828	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cccc2ccsc12	768711953	KXYPSUJCOAGTKF-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1	769932838	ZVKNIWBTGSJXBO-UHFFFAOYSA-N	417.416	4.773	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1c(-c2cccc(Br)c2)noc1C	771689529	SZTHTEPSHFVCMX-UHFFFAOYSA-N	404.239	4.617	50	20	HJGD	
O=C(NCCC[C@@H]1CCCCO1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773509483	BWMOHWVVJQHXRL-ZDUSSCGKSA-N	416.412	4.748	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ccc(C(F)(F)F)cn3)o2)c(C)c1	775249452	QUDRDFXNTREORQ-UHFFFAOYSA-N	405.376	4.646	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1ccc(OC(F)F)cc1	776259218	FNPOVCLKCDSPME-GHXNOFRVSA-N	423.169	4.749	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)[C@H]1CCCOC1	779757862	LRKODMVEPVGUHH-QHCPKHFHSA-N	402.494	4.951	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1sc2cc(C(F)(F)F)ccc2c1Cl	781836840	QHYPIFVRUUIOAR-UHFFFAOYSA-N	407.204	4.774	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)cc1F)c1cc(-c2ccncc2)nc2ccccc12	783507248	FIWLHKLBYHGSBG-UHFFFAOYSA-N	404.832	4.853	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cnc4c(C)cc(Br)cn34)c[nH]c2c1	783706366	CCUMSCIFPHHHRN-AUWJEWJLSA-N	419.282	4.985	50	20	HJGD	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)cc1OC	786056909	VUPRUEWBLQIWNV-VIZOYTHASA-N	405.281	4.624	50	20	HJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1OC	787152197	WHBHSBSYADCZLK-TYSUYXETSA-N	408.498	4.667	50	20	HJGD	
Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)NNc1ccc(C(F)(F)F)cc1	788712918	IITAJGNQXKELRG-UHFFFAOYSA-N	411.334	4.533	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H]1[C@@H]1CCCO1	790404582	SDAMINRGXHGGMZ-KGLIPLIRSA-N	407.426	4.676	50	20	HJGD	
C[C@@H](CC(C)(C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(=O)O	790621698	GBFPXDKHKVYEGE-VIFPVBQESA-N	411.414	4.512	50	20	HJGD	
COc1ccc(-c2ccc(NC(=O)c3c(C)nn(CCCl)c3C)nc2)cc1Cl	791879549	AGINANNRPTXPGM-UHFFFAOYSA-N	419.312	4.715	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c(Br)cc1O	794884903	NPAKDTCYCSMBMZ-NVNXTCNLSA-N	409.239	4.501	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	798531576	WDDFCUZJNYKFTK-HDJSIYSDSA-N	418.280	4.630	50	20	HJGD	
COCCOc1cncc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1	800827133	SZJODNHKLKRNRC-INIZCTEOSA-N	420.840	4.578	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccc(-c2ccc(Cl)s2)nc1	801911922	DPTNLXJUDLMLJG-UHFFFAOYSA-N	407.814	4.659	50	20	HJGD	
COc1cc(C)c(Br)cc1C(=O)NNc1ccc(C(F)(F)F)cc1	802829032	LNYLJNQMMVAPLD-UHFFFAOYSA-N	403.198	4.542	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cc(-c2ccccc2)nc2cc(F)ccc12	803439236	XLDLFHJQXXHJAE-UHFFFAOYSA-N	424.435	4.639	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC=C(c3ccccc3)C2)c1C	803682658	ZUCRJGHYDFYHRT-QHSFOXILSA-N	403.526	4.535	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2nccnc2C2CCC2)c(C)n1C1CCCCC1	805461404	BGFYJKPKKKRXEG-XSFVSMFZSA-N	418.545	4.718	50	20	HJGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc(OC)c1OCC(F)F	809158090	QBADFZYPLQBYDX-VIZOYTHASA-N	404.369	4.629	50	20	HJGD	
CCOC1(C)CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	813711423	OUTPWOKCYRSNNY-UHFFFAOYSA-N	409.442	4.924	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1	817879659	MVBXSAKWIQDJCS-UHFFFAOYSA-N	407.445	4.542	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)[C@@H](C)c1ccc(C#N)cc1	914509692	XVTUDEBGRZPQDT-OXUDEJCESA-N	418.541	4.701	50	20	HJGD	
CCCCn1nc(C)c(C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1Cl	915906193	QIGUATGWKYECIR-UHFFFAOYSA-N	411.937	4.816	50	20	HJGD	
CCCOc1c(Br)cc(C=NNC(=O)c2ccccc2C)cc1OCC	916543626	VIJSVIRBMDHUIJ-UHFFFAOYSA-N	419.319	4.709	50	20	HJGD	
CCCn1c(C)c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c2cc(OC)ccc21	917214669	SLURPVMNKXVVDV-UHFFFAOYSA-N	416.865	4.687	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cs1	917561774	NDVQQJXFJVNSJT-WJDWOHSUSA-N	420.469	4.821	50	20	HJGD	
CCCOc1cc(C)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	917746068	HKMIJKCVYYKSSS-AMUNLKFJSA-N	421.541	4.927	50	20	HJGD	
O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(CCCl)cc1	917845706	DMPGGZCDMRJGAR-UHFFFAOYSA-N	414.886	4.670	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)Nc1cccc2ccccc12	920241788	UEKGXYVGUBWDSH-LICLKQGHSA-N	408.417	4.504	50	20	HJGD	
CCc1ncccc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1	1787091651	HBKBDNRFYPXVPB-UHFFFAOYSA-N	413.949	4.657	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)CCC1	1790396569	QPDZVZPISNJPQM-FQEVSTJZSA-N	423.944	4.862	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)[nH]n1	1820860319	KQVYCFXPRZGCFV-RHSMWYFYSA-N	423.344	4.695	50	20	HJGD	
Cc1nc(C(=O)N2CC3(CCCN3C(=O)CCCCCCCCCCCl)C2)co1	1845124339	CBCXELKAUYOEQY-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
Cc1csc(-c2cccc(C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)c2)n1	303758174	DMMZVVGSZHBUMV-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC3(CCCCC3)CC2)c(C)n1C[C@@H]1CCCO1	726514745	NMQFKQAECRSJMY-AEUZFIIDSA-N	409.574	4.764	50	20	HJGD	
Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)CCCC[C@H]1CCSS1	731626132	HRWUMFNYNCXOQG-DOTOQJQBSA-N	410.630	4.549	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3c(C)noc3C)c2C)cc1	733763623	DIWOVZYWFJYDJX-SVZNOHIVSA-N	402.498	4.792	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](C)C[C@@H](C)O)c(C)n1-c1cccc2ccccc12	740842261	FVRFEBYUDIDQQB-AMPMGBPNSA-N	415.537	4.678	50	20	HJGD	
COc1ccccc1-c1ccc(C(C)=NNC(=O)Cn2c(C)nc3ccccc32)cc1	741457559	WGJLNLZJIKWCDW-UHFFFAOYSA-N	412.493	4.561	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1cc2c(s1)CCOC2	742005225	PDSISBZCUGSVPX-UHFFFAOYSA-N	422.131	4.647	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(COc2cccc(Br)c2)o1	748571923	UBVUHSSKLXSYFZ-UHFFFAOYSA-N	419.250	4.826	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1cc(C2CC2)nc2ccc(Cl)cc12	751388146	AKMBQWXPFFYWKW-UHFFFAOYSA-N	417.694	4.680	50	20	HJGD	
CC(C)(C)c1ccc(S(=O)(=O)NC(=O)CCCC[C@H]2CCSS2)s1	752609383	OJCFSRMOBWSYDC-LBPRGKRZSA-N	407.648	4.565	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1	755584026	SYLCPPSWPWTZJE-IBGZPJMESA-N	414.465	4.841	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)c1	766557217	ZFYRYISKSDOVAH-RDJZCZTQSA-N	409.571	4.607	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(C2CC2)nn1-c1ccccc1	767227803	XCBGORQXKZCUBV-UHFFFAOYSA-N	403.873	4.708	50	20	HJGD	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NNc2nc3ccccc3[nH]2)c1	768515852	VXBDCNOYMLBYNH-UHFFFAOYSA-N	403.829	4.637	50	20	HJGD	
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772943900	PEDYUHYAGIMISA-UHFFFAOYSA-N	419.375	4.813	50	20	HJGD	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H](C)S1	773332257	HBUFMPORFCRWOI-UWVGGRQHSA-N	404.426	4.635	50	20	HJGD	
COc1cc(C)c([C@@H](C)NCCP(=O)(c2ccccc2)c2ccccc2)cc1OC	774941882	UQGKWJWSDQWDPT-HXUWFJFHSA-N	423.493	4.677	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1csc(-c2ccc(F)c(F)c2)n1	775275381	ANYOXPUIIOLXFK-UHFFFAOYSA-N	401.225	4.547	50	20	HJGD	
C[C@H](CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1nccs1	778073918	POWCJJVTZZSKDG-SECBINFHSA-N	408.439	4.883	50	20	HJGD	
O=S(=O)(NCCCc1ccc(O)cc1)c1ccc(S(F)(F)(F)(F)F)cc1	782978527	BCWKUHWJORKILK-UHFFFAOYSA-N	417.421	4.961	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(C1CC1)C1CC1	783460822	IATKQMGEYHWOKY-UHFFFAOYSA-N	405.410	4.585	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1	787531004	VHNDMJCIUMKQTG-UCSSQIFYSA-N	415.262	4.564	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1	788181716	XBNJLQUNORZVBH-UHFFFAOYSA-N	422.485	4.531	50	20	HJGD	
COc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)c(OCCOC(C)C)c1	789821730	XWEDRUVDSBNLHL-UHFFFAOYSA-N	413.301	4.563	50	20	HJGD	
O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(C2CCC2)cc1	792317799	ZWXUUVHSIVTZOY-UHFFFAOYSA-N	421.522	4.512	50	20	HJGD	
CC(C)(C(=O)NN=Cc1ccc(Br)cc1C(F)(F)F)c1ccccc1	794508477	WCOJXKNUEISXIP-UHFFFAOYSA-N	413.237	4.896	50	20	HJGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1	794932647	XLTQKVRSXCKYJQ-XYOKQWHBSA-N	409.656	4.979	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CCC(F)(F)C1	796830265	QDXGCTGBZWUUKL-QMMMGPOBSA-N	415.352	4.584	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1ccccc1[N+](=O)[O-]	797786945	UAZROCJVDXBBSC-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)[C@H](F)c1ccc(C(F)(F)F)cc1	801951839	KSDVARQQWGLPOO-CYBMUJFWSA-N	409.152	4.761	50	20	HJGD	
O=C(NNc1ncccc1F)Nc1cccnc1Oc1ccc(Cl)cc1Cl	806500158	YQEJBOFOMIPNAV-UHFFFAOYSA-N	408.220	4.863	50	20	HJGD	
CC[C@@H]1c2ccsc2CCN1C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	810146934	AASDLNYIZZKWIH-ZZFKQEHHSA-N	423.582	4.788	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1	812764763	GJFIWIAVVZCWTH-UHFFFAOYSA-N	409.917	4.739	50	20	HJGD	
COc1ccccc1Nc1nc2sc(C(=O)N(C)CC(Cl)Cl)cc2s1	816629351	IZCKWWFLLJMBBE-UHFFFAOYSA-N	416.355	4.986	50	20	HJGD	
COc1ccc(NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c(C(F)(F)F)c1	816701577	BCHSMYOONWWDQF-UHFFFAOYSA-N	424.810	4.618	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)cc1	817915058	ATOSVFTVRYFASM-UHFFFAOYSA-N	421.522	4.645	50	20	HJGD	
COC(=O)c1ccoc1COC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	818004116	DXSLJUZWJMGTFW-PDGQHHTCSA-N	410.470	4.640	50	20	HJGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)c3sc(-c4ccccc4)nc3C)sc2n1	874084004	FSIARZJZTXXMPB-UHFFFAOYSA-N	421.551	4.812	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1csc(Br)c1	914559151	ATNKKCTWRUNCIA-GFCCVEGCSA-N	403.301	4.581	50	20	HJGD	
Cn1cnnc1SCc1ccc(C(=O)NN=C(CC(C)(C)C)c2ccccc2)cc1	915938074	AHXCNYFXONYWCU-UHFFFAOYSA-N	421.570	4.678	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3c(F)cccc3Cl)cc12	916273200	UNIFBBIZLOKULN-UHFFFAOYSA-N	412.877	4.952	50	20	HJGD	
CCn1c2ccccc2c2cc(C=NNC(=O)C(=O)Nc3ccc(C)c(C)c3)ccc21	916544235	VAPLGWLMIIVYTD-UHFFFAOYSA-N	412.493	4.520	50	20	HJGD	
N#C/C(=C\c1ccc(-c2cccs2)cc1F)C(=O)N1CCn2c1nc1ccccc12	917621380	CRNCEHZABXCAJT-SFQUDFHCSA-N	414.465	4.858	50	20	HJGD	
COc1cc(Cl)c(Br)cc1C(=O)NNc1ccc(C)c(Cl)c1	1255815951	SAVBQWRXILCMAV-UHFFFAOYSA-N	404.091	4.830	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCCN2CCC[C@H]2C1	1318879455	PMUFQNRVNCLSOW-WFASDCNBSA-N	407.889	4.608	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4[nH]3)CCC2)cc1	1786444762	KEBMZLNQMCVJCL-SFHVURJKSA-N	424.932	4.718	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cccc2cnccc12	1789326334	GHDGDUPBTNHQLD-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3sccc3s1)C2	1793680947	PQAVAAOJMRKGPG-XJFOESAGSA-N	410.992	4.622	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3csc(C)c3C)CC2)C1	1806155925	GPDBHFUXGMOWBJ-SFHVURJKSA-N	411.011	4.617	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(Cl)c2)n[nH]1	1814590639	RMABRDSJKHUUED-WMLDXEAASA-N	423.344	4.695	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2)n[nH]1	1820498656	FIWQLHXOOIRXLW-NVXWUHKLSA-N	423.344	4.777	50	20	HJGD	
CC(C)c1ccc(NC(=S)NNC(=O)c2ccc(COc3ccccc3)o2)cc1	7555919	OWIBNBSYEFINKT-UHFFFAOYSA-N	409.511	4.613	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1C	10414767	POKYDHSPONPJRL-UDWIEESQSA-N	420.538	4.729	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)o1	26991775	AJDDXSUAKZNQOL-UHFFFAOYSA-N	414.914	4.917	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1C	34888599	ZGVSNJFUMOJAQQ-ODLFYWEKSA-N	404.466	4.580	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N(C)[C@H](C)c3cc4ccccc4o3)cc2C1	109430894	BZLPGKMIRCNWPZ-ZIAGYGMSSA-N	411.527	4.667	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)c(C)n1CC(C)C	726511000	SMAQEMDDNSMZAC-NFSPBSMJSA-N	405.542	4.704	50	20	HJGD	
CCOc1ccc(C(=O)NNc2ccc(Br)cc2Cl)cc1OCC	729275874	WXUUZSBXQJNRMT-UHFFFAOYSA-N	413.699	4.657	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCCCc2nccs2)c1C	733257681	WWVQGAMRIQEIAE-XSFVSMFZSA-N	404.539	4.515	50	20	HJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3cnnc4ccccc34)c2c1	733813011	JFVVPOWPWPZKGA-UHFFFAOYSA-N	405.461	4.910	50	20	HJGD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNC(=S)Nc1cccc(Cl)c1	738555644	DRRKQYRDKWNKGK-LLVKDONJSA-N	415.868	4.555	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H](c1ccc(F)cc1)c1cccs1	743630608	WVUUSOPPFZWLGJ-NRFANRHFSA-N	419.481	4.774	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Br)s1	746895612	WXTPFGVXCCDQDJ-MRVPVSSYSA-N	418.238	4.648	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)n1	747983246	LALIIFOXALFNNJ-UHFFFAOYSA-N	407.836	4.550	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(C2CC2)nc2ccccc12	748076256	CRULRPWTNYDLAT-UHFFFAOYSA-N	400.251	4.771	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1	748912044	NLPOJMIDJCNZKV-UHFFFAOYSA-N	406.413	4.916	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)ccc1OCC(F)(F)F	750894892	CFXNZCCQSUVGDS-RIYZIHGNSA-N	400.356	4.907	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(C)sc1Br	753171924	ZNQMMVVHRDOVAD-UHFFFAOYSA-N	418.154	4.901	50	20	HJGD	
CC(C)Oc1ccc(-c2nc(C(=O)NNc3ccc(C#N)c(Cl)c3)cs2)cc1	753323014	URZVDQGWSIZNDE-UHFFFAOYSA-N	412.902	4.879	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1	753376918	IMJBPEHEYIKMEM-UEIJICEPSA-N	403.438	4.655	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	754549040	IDJUFESTDQLJIJ-FXBPSFAMSA-N	408.457	4.742	50	20	HJGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	758416146	DEMKIFSVHACMHM-GRRFOWRYSA-N	408.841	4.551	50	20	HJGD	
CCC(C)(C)CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	759363165	ITNRJFKNRHXHIB-SFQUDFHCSA-N	409.921	4.577	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1	766753234	XWHPIJLFYBPOCI-GFCCVEGCSA-N	422.106	4.896	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(COc2ccccc2F)on1	767122731	UXWVEMFHAGEGMC-UHFFFAOYSA-N	414.195	4.596	50	20	HJGD	
COc1ccc(-c2cncc(C(=O)NNc3c(Cl)cc(F)cc3Cl)c2)cc1	767396194	NFTYHULUOGFRNU-UHFFFAOYSA-N	406.244	4.960	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1ccc(C(=O)NCc2ccccc2F)cc1	769963081	ZBTCWOSBOWVTEO-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
CC(=O)N(C)c1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	769985178	GCLXSYNKRYRIDJ-UHFFFAOYSA-N	401.681	4.778	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc2ccc(Br)cc2n1)c1ccccc1	771520125	KLWFGGRQWWKNRY-FMNVXAMXSA-N	406.283	4.782	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1C	775558620	MVCLIOSYCQDIAS-RSZPVBOMSA-N	402.498	4.853	50	20	HJGD	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1	775624106	REKOVMLQPMCQSV-MUUNZHRXSA-N	413.465	4.901	50	20	HJGD	
C[C@@]1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCCC[C@H]1O	777987939	RWVIJHINCHLLJX-KGLIPLIRSA-N	409.442	4.564	50	20	HJGD	
C[C@@]1(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO[C@H]1C1CC1	784485849	LNFXSWIHLBRJJZ-UONOGXRCSA-N	407.426	4.580	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)/C(C#N)=C/c2ccccc2)cs1	785379340	ZXMUBXHMFZIDLH-XDHOZWIPSA-N	417.490	4.787	50	20	HJGD	
CCN(CC)Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)cc1	787507535	PAJIUZFVYJHPAL-CSMVZQPBSA-N	422.573	4.700	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1ccc(C(F)(F)F)cn1	790941284	VEJYPRALGYCHRU-UHFFFAOYSA-N	424.423	4.523	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1	792869408	CCNKSQCHUUAJFF-NHCUHLMSSA-N	423.695	4.750	50	20	HJGD	
CC(=O)c1cccc(NC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1	796588706	XESHESUZMMPURQ-UHFFFAOYSA-N	415.375	4.514	50	20	HJGD	
C[C@H](OCc1ccccc1)C(=NNC(=O)c1cccc(OC(F)F)c1)C(F)(F)F	811641827	RYJHMEXSIUZKDG-LBPRGKRZSA-N	416.346	4.541	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1cccc(Br)c1	812538601	SXVMAKYHZJOQAI-LLVKDONJSA-N	417.225	4.637	50	20	HJGD	
Cc1c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)oc2c1C(=O)CCC2	817015892	VYNXDHNZJOEXGV-UHFFFAOYSA-N	420.309	4.902	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Oc3cnccn3)c2)c(C)n1CC(C)C	914739767	HITSYTZPPFAHJC-JAIQZWGSSA-N	415.497	4.889	50	20	HJGD	
CC(C)c1ccc(C=NNC(=O)c2ccc(COc3ccccc3)o2)cc1[N+](=O)[O-]	916360237	LHIBDRHIRGXRNP-UHFFFAOYSA-N	407.426	4.654	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@@H](c1ccccc1)c1cc2ccccc2o1	1323180316	YVFNXVZWMDPIGM-NRFANRHFSA-N	419.868	4.820	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)CCC1	1790560380	DAXHFDQAWHABEW-UZLBHIALSA-N	414.933	4.605	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)CCC1	1791350443	DAXHFDQAWHABEW-OXJNMPFZSA-N	414.933	4.605	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2C)[nH]n1	1820851109	PVRGGWVPCDPSSF-YOEHRIQHSA-N	423.344	4.695	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3c(C)cc(C)cc3s2)c1C	10407558	KDNLQUXBCUQOSG-WOJGMQOQSA-N	408.527	4.524	50	20	HJGD	
O=C(CCc1ccco1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	22189968	QNHKEPFOBQAPOH-UHFFFAOYSA-N	414.914	4.619	50	20	HJGD	
N#C/C(C(=O)CSc1nnc2sc3ccccc3n12)=C1/Nc2ccccc2S1	23560654	HAVMCCJQVPIZDQ-GZTJUZNOSA-N	421.532	4.558	50	20	HJGD	
C=C(C)COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)c1	727330825	VUCSSFWBHQMGOH-UTYYKHSJSA-N	407.514	4.813	50	20	HJGD	
N#C/C(=C\c1cccc(OC(F)(F)F)c1)C(=O)Nc1nc2ccccc2nc1Cl	727976007	KIWVZNUYRJOHPD-XYOKQWHBSA-N	418.762	4.727	50	20	HJGD	
O=C(NCCc1cccc(O)c1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	729612103	VDIASBJJMIQTOG-OAHLLOKOSA-N	404.841	4.976	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1C	731056432	SBRBGKAOVBUBDA-WLGHQHAYSA-N	423.532	4.533	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccccc1	731931583	LBFXDEYXDYJIDM-FQEVSTJZSA-N	424.501	4.611	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cccn1Cc1cccs1	733808379	XFSNZBYFRMDILT-UHFFFAOYSA-N	410.724	4.771	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2csc(COc3ccc(Cl)cc3)n2)cc1	734304581	OQQOTMBSIBNKMQ-YVLHZVERSA-N	423.925	4.907	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccsc1	737469033	AKOPZUISXBZLCP-AWEZNQCLSA-N	414.914	4.545	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1[nH]c2ccccc2c1Cl	742108449	RYUIVVAKVDGGFH-UHFFFAOYSA-N	400.610	4.619	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(CC)C3CCOCC3)cc2)cc1	745192794	RTXCIPWOKBEXIY-UHFFFAOYSA-N	410.514	4.587	50	20	HJGD	
O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NNc1ccc(Cl)c(F)c1	746758205	UGTGBHUJLZUVQK-UHFFFAOYSA-N	404.804	4.632	50	20	HJGD	
O=C(NNc1ccccc1Br)c1ccc(Br)cc1Cl	748066412	PXTRENSBIDASKG-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cc1ccc(C(=O)N[C@H](CC(=O)NNc2cccc3cnccc23)c2ccccc2)cc1	748759106	JHJVLVLPBJADBN-XMMPIXPASA-N	424.504	4.548	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)c1	748912031	MSQGBRKBGUFQGL-UHFFFAOYSA-N	422.485	4.760	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(F)cccc2Br)c1C	752491387	KLDJZLSRDOBQII-GDNBJRDFSA-N	404.283	4.962	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2Cl)c(C)n1C[C@H]1CCCO1	754312715	YPXBGDPQJFGAGL-VOVSKKKVSA-N	411.933	4.722	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(-c3ccc(Cl)cc3Cl)nn2)c1C	755571602	DBVBLYOSOMVBJN-RIYZIHGNSA-N	412.280	4.737	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(Oc2ccncc2)c(Cl)c1	755860526	YTVUQBATWAZFCO-UHFFFAOYSA-N	414.796	4.760	50	20	HJGD	
COC(=O)CCC(C)=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	756871776	VOLUHLZMJACXLR-UHFFFAOYSA-N	404.919	4.691	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)no1	757383000	SKJCIJZTKJYKQE-UHFFFAOYSA-N	400.910	4.944	50	20	HJGD	
Cc1cc(CSc2ncccc2C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)no1	757421077	BTWHNXAVRANGOL-UHFFFAOYSA-N	421.434	4.951	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)c1	759326876	VHZMGEGKVYNUDU-UHFFFAOYSA-N	420.419	4.583	50	20	HJGD	
O=C(CNc1cccc(S(F)(F)(F)(F)F)c1)NCc1ccc2c(c1)OCO2	762531798	VLBPUZPFEVNBID-UHFFFAOYSA-N	410.364	4.801	50	20	HJGD	
Cc1nc(CC(=O)NNc2c(Cl)cc(Br)cc2Cl)c(C)s1	765489249	PPMSDZZOYFOHGE-UHFFFAOYSA-N	409.136	4.515	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nnc(-c3ccccc3)s2)c(C)n1CC(C)C	766674478	IRBDGZLSJKXRPS-JAIQZWGSSA-N	420.538	4.930	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)NNc2ccc(Br)cc2Cl)c1C	769951665	OEXUKENVCATSBH-UHFFFAOYSA-N	411.687	4.518	50	20	HJGD	
O=C(NNc1cncc(Cl)n1)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	774338488	QKWMYXZYHZYYJX-AWEZNQCLSA-N	420.222	4.580	50	20	HJGD	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NNc2cccc(C(F)(F)F)c2)c1	775622941	AQCTVDGXIGSNBA-NDEPHWFRSA-N	413.465	4.901	50	20	HJGD	
COc1ccc(NC(=O)NNc2c(F)cccc2F)cc1NC(=O)C1CCCCC1	775622971	BNFBYFFIHHEEHD-UHFFFAOYSA-N	418.444	4.641	50	20	HJGD	
N#C/C(=C\c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1ccccc1OC(F)F	775638756	HHFSJFJEQLZBFC-YRNVUSSQSA-N	423.169	4.749	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(OCc2ccccn2)c(F)c1	775658477	YVFMTSXVFPCBNC-UHFFFAOYSA-N	420.366	4.967	50	20	HJGD	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	778035393	OXLRIWANMDRUMO-LLVKDONJSA-N	421.375	4.833	50	20	HJGD	
O=S(=O)(N[C@H]1CCO[C@H](C2CC2)C1)c1cccc(S(F)(F)(F)(F)F)c1	778072201	HOWYIJMEQAUEDL-FZMZJTMJSA-N	407.426	4.580	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl	785164855	KYUNITLCHHHKSE-UHFFFAOYSA-N	423.687	4.585	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	787493878	MGTUAOAIPNDGLL-RQPMMQJISA-N	414.305	4.738	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3cccc(F)c3[N+](=O)[O-])cc2)n1	790593852	AABRTNZKWAMYBD-UHFFFAOYSA-N	418.475	4.548	50	20	HJGD	
Cc1cnn(C)c1/C=C(/C#N)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1	794686427	OTJVMAZEJBBMER-SDQBBNPISA-N	418.309	4.705	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1c(-c2ccc(Cl)c(Cl)c2)noc1C	805374558	SIFKANNHUJLEJH-UHFFFAOYSA-N	421.240	4.930	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	806786522	OPGODVJJTCLWPL-UHFFFAOYSA-N	417.318	4.602	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1	817015970	ZGJWLNUPEBDDCK-UHFFFAOYSA-N	417.231	4.895	50	20	HJGD	
CCOc1ccc(NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1	817890319	ZDMSKCDXPRBPIK-UHFFFAOYSA-N	419.312	4.702	50	20	HJGD	
CCOc1ccc(NNC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1	817896273	RWCCUWLMXQMDBL-UHFFFAOYSA-N	400.482	4.500	50	20	HJGD	
Cc1ccccc1NNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl	865526197	MYLOTKHHWWLNIQ-GOSISDBHSA-N	408.329	4.590	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(Oc3ccccc3)cc2)c1	914894887	XCRLECSUSNAGIL-XSFVSMFZSA-N	413.429	4.821	50	20	HJGD	
CCOc1cccc(C=NNC(=O)CSc2ccc(Cl)cc2)c1OC(F)F	916274161	ZYQWTZRPFKXMPN-UHFFFAOYSA-N	414.861	4.583	50	20	HJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCO2)c1nc(O)c2c3c(sc2n1)CCCC3	917037583	BMKQRCLDQLXNOQ-WZUFQYTHSA-N	411.870	4.722	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(CN(CC)CC)cs2)c1C	1119545736	HXDBUCBMNZIMHV-UNOMPAQXSA-N	413.591	4.749	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)nn1	1323001004	FUKUCPSEZNKYFF-UHFFFAOYSA-N	424.932	4.692	50	20	HJGD	
C[C@]1(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Br)cc3)CCC2)CC=CCC1	1790537463	PSHYWQHFURNEMF-APWZRJJASA-N	423.326	4.557	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2F)CC1	1824618001	LIZRDXDPMRGORQ-ICSRJNTNSA-N	422.972	4.775	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1	1824629215	WOJDFGFQBSKSSR-DLBZAZTESA-N	420.972	4.695	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1C	22216726	ZQVODRHLUCWEAU-UDWIEESQSA-N	418.493	4.970	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)c1nnc2n1CCCCC2	169986579	OVVAMFUAQLYBLN-PDGQHHTCSA-N	406.921	4.584	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1nnc2n1CCCCC2	206900932	ZCYLOTMHVHQCOZ-JWGURIENSA-N	420.520	4.980	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCC1(N2CCSCC2)CCCCC1	303434767	FVUCYNCYPOIBGO-KRWDZBQOSA-N	402.695	4.568	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nnc(C(C)C)o2)c(C)n1-c1cccc(Cl)c1	726989775	XBWQRHBKEJDGMM-MFOYZWKCSA-N	424.888	4.904	50	20	HJGD	
C=CCN1CCC(NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	730124718	CPYKJLIKWIJLPC-OAHLLOKOSA-N	407.889	4.678	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccc2ncccc12	730227601	HKDNNLXLZDSJNQ-QFIPXVFZSA-N	413.502	4.529	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(n2cc(Br)cn2)CC1	731652241	JRGRADYNRZERQA-HNNXBMFYSA-N	418.426	4.523	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2nc3ccccc3n2C)c(C)n1CCC(C)C	732162163	MAFUDAYYVCCTDM-KGENOOAVSA-N	417.557	4.603	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@H](CO)c1cccc(F)c1	734644856	FOJCFOHKCCOVPU-UKRRQHHQSA-N	422.831	4.900	50	20	HJGD	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2c(F)cccc2F)c1	735695550	HBDLURHUXISLDR-UHFFFAOYSA-N	420.419	4.583	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](C)C[C@H](C)O)c(C)n1-c1cccc2ccccc12	740842262	FVRFEBYUDIDQQB-DLVFWXPZSA-N	415.537	4.678	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C)C(C)(C)c1ccccc1	741578734	IYZGNDJAEQLPHL-BTZCDPCDSA-N	407.558	4.531	50	20	HJGD	
CCCCCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC	747034502	UNEBMXVUXKGXOS-QGOAFFKASA-N	422.481	4.581	50	20	HJGD	
O=C(CSc1ncnc2scc(-c3ccccc3)c12)NNc1cccc(F)c1	748098915	KIBXPKWDNXQOKF-UHFFFAOYSA-N	410.499	4.733	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3cc(Cl)nc(C)n3)oc2c1	748332995	AIKKOMRKCCHUMG-UHFFFAOYSA-N	408.845	4.617	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(Oc2ccccc2)nc1	748701895	GFJHOCZJUWYBGN-UHFFFAOYSA-N	403.360	4.572	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	748773240	FVDTZBSHMJKEEQ-UHFFFAOYSA-N	400.394	4.692	50	20	HJGD	
O=C(/C=C/c1ccc2ccccc2n1)NNc1ccc(Br)cc1Cl	748775946	KCYWYGWWWFDFSJ-CSKARUKUSA-N	402.679	4.807	50	20	HJGD	
O=C(Nc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1)c1cccs1	749158066	RXMBQLJWXAYWNI-UHFFFAOYSA-N	420.943	4.583	50	20	HJGD	
O=C(NN=C[C@@H]1CCOc2ccccc21)c1cc(-c2ccncc2)nc2ccccc12	752156258	ZECFAYCWLZIKJT-SFHVURJKSA-N	408.461	4.579	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cn(C)nc2C(F)(F)F)c(C)n1C1CCCCC1	752821221	OWRGGRPVRMELIZ-YBEGLDIGSA-N	419.451	4.908	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cccc(Oc2ccncc2)c1	753170826	WKYNMWUQZHTODW-UHFFFAOYSA-N	412.287	4.956	50	20	HJGD	
Cc1nn(C)cc1/C=C(\C#N)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1	755406958	GPBCGQSHKUQERK-LFYBBSHMSA-N	418.309	4.705	50	20	HJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)NNC(=O)c2ccccc2O)cc1	757591409	FGTYJHOGCPVZEG-OAHLLOKOSA-N	407.495	4.712	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(F)c(Cl)c2)c1C	762372036	BFZRDEJDWFBPGQ-HNIBHBHRSA-N	417.912	4.670	50	20	HJGD	
C[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1nc(-c2ccc(Cl)cc2)no1	769925263	KVQBZDSMYNLSHW-MSNRECKUSA-N	424.726	4.521	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C	771707354	QNIAHSRMQHJPRQ-UHFFFAOYSA-N	409.490	4.945	50	20	HJGD	
N#Cc1ccccc1COc1cccc(C(=O)NNc2ncc(Cl)cc2Cl)c1	775272065	XVOCDMFJIKUHSF-UHFFFAOYSA-N	413.264	4.596	50	20	HJGD	
Cc1c(NC(=O)NNc2c(Cl)cccc2Cl)cccc1C(=O)N1CCCC1	775581931	MGMOJPGPPTZMGQ-UHFFFAOYSA-N	407.301	4.686	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1	775692697	FLBLLOPIZNSINK-UHFFFAOYSA-N	405.845	4.596	50	20	HJGD	
CC(C)C[C@@H]1COCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777947004	GTCBTSAGPGBGKY-GFCCVEGCSA-N	409.442	4.780	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCO[C@@H](c2ccco2)C1	777998104	CCRMUGXJIURWEZ-CQSZACIVSA-N	419.393	4.699	50	20	HJGD	
C[C@@]1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO[C@H]1C1CC1	778071680	IFDBSTWHRZDFSJ-GJZGRUSLSA-N	421.453	4.828	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)c([N+](=O)[O-])cc1OCC(F)F	778519453	WJXORZYBDAUQJR-QCDXTXTGSA-N	409.414	4.891	50	20	HJGD	
CCC(CC)(CCO)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982068	VNKGJUGTYMSXIP-UHFFFAOYSA-N	411.458	4.811	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCc2ccc(C(F)(F)F)cc2C)c(Cl)c1	786146897	WDVJYYYRJXWIQH-UHFFFAOYSA-N	414.815	4.512	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OC)s1)c1ccccc1	787141520	OJBNUROUHDKPLT-OVHOFWQVSA-N	405.317	4.694	50	20	HJGD	
CSSCCNC(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21	790880163	RCNVIRZRFUSCRD-MRXNPFEDSA-N	411.593	4.721	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)Nc1ccccc1F	794687907	ISFRZKCTCDZQPW-ZROIWOOFSA-N	400.335	4.576	50	20	HJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F	794871581	CPLROJVDFBCFKL-ACCUITESSA-N	400.335	4.576	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	799604748	QXEWTSDLAMSBLI-UHFFFAOYSA-N	416.308	4.772	50	20	HJGD	
O=C(CSc1cccc2cccc(Cl)c12)NNc1ccc2c(=O)[nH]ccc2c1	803433970	YAKWMCLFMHUXFR-UHFFFAOYSA-N	409.898	4.570	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=C2CC(c3cc(F)cc(F)c3)C2)cc1OC	814754811	CSNPJACGXHVBRF-UHFFFAOYSA-N	402.441	4.816	50	20	HJGD	
Cc1nc2ccccc2nc1COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	849205922	SBRUXBXYJSAMNP-RGVLZGJSSA-N	402.498	4.663	50	20	HJGD	
O=C(NNC(=O)[C@H](Oc1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl	916147972	QKZQBVJGCCZITP-LJQANCHMSA-N	415.276	4.575	50	20	HJGD	
C[C@@H](Oc1cccc(Br)c1)C(=O)NN=Cc1cccc(Cl)c1Cl	916345249	WRYUJKRDAXABTN-SNVBAGLBSA-N	416.102	4.674	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1Br)c1nc(C(C)(C)C)cs1	1318368103	FOWVXCPQWADVKN-SECBINFHSA-N	415.332	4.730	50	20	HJGD	
O=C(NC1CCN(c2cccc(F)c2)CC1)NN(Cc1ccccc1)c1ccccc1	1318695897	JEBIRYIJTVNNBZ-UHFFFAOYSA-N	418.516	4.716	50	20	HJGD	
COc1cccc(NCC(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)c1	1330160874	KHRWXWBXYPCMAX-UHFFFAOYSA-N	418.280	4.824	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cnc3Cl)cc2)CCC1	1789718716	UVFCMVSNIWGSSK-INIZCTEOSA-N	424.303	4.639	50	20	HJGD	
Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)o1	1791943556	BHTYFQMPGRAUOA-UHFFFAOYSA-N	402.922	4.530	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(C)c2C)n[nH]1	1816613055	VHUGRQFYOWMWPY-WBVHZDCISA-N	422.982	4.801	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)[nH]n1	1820859645	FHUVGIZWYCLLJP-RDJZCZTQSA-N	423.344	4.695	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2F)CC1	1824616112	RVZJIQMWKVSMDO-FPOVZHCZSA-N	422.972	4.775	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CC)c2ccccc2)CC1	1826311971	OJEQKRVIDZUSNZ-FKBYEOEOSA-N	419.009	4.817	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3c2CCCC3)c(C)n1C[C@@H]1CCCO1	15302467	UKSJPSPZRXWGNE-AMUNLKFJSA-N	403.526	4.708	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	28911531	VEFWRYZLAQGPTL-XNTDXEJSSA-N	423.812	4.857	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc2cc(OC)ccc2c1	212380696	DHHDTOKZYYBDOG-ODLFYWEKSA-N	402.450	4.760	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccccc1OCc1ccc(Cl)cc1	728080396	OKCZABONFODSMM-UHFFFAOYSA-N	420.856	4.726	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(OCc3cc(C)c(C(=O)O)o3)cc2)c1	729937094	LJFRPJVCEQPGSB-WOJGMQOQSA-N	417.417	4.664	50	20	HJGD	
CCCCN(C)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCOC)c2C)cc1	730508418	QDTGACXBZFUNQW-PGMHBOJBSA-N	408.546	4.533	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)ccc1C(=O)NC(C)C	731171631	VWQINRZSNUPJDC-MTJSOVHGSA-N	420.557	4.753	50	20	HJGD	
O=C(NN=Cc1sc(Nc2ccccc2)nc1Cl)c1ccc(O)c(Cl)c1	734094184	HVRIIVGJKOGTQM-UHFFFAOYSA-N	407.282	4.663	50	20	HJGD	
Cn1c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc2cc(C(F)(F)F)ccc21	742545683	DMYPYWKVXNRNSF-UHFFFAOYSA-N	412.755	4.516	50	20	HJGD	
C[C@H]1CC(OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)C1	744212682	JIVCBQGXCHEFQL-RDAAMTITSA-N	402.498	4.739	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(COC(=O)CCCC[C@H]2CCSS2)CC1	745565976	LSXDJMJNIKAEPZ-INIZCTEOSA-N	403.610	4.891	50	20	HJGD	
CC(C)c1cc(C(=O)NNc2ccc(Br)cc2F)nn1-c1ccccc1	748199395	HLTGHXGOHKNWKD-UHFFFAOYSA-N	417.282	4.654	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(OCC3CCCCC3)cc2)cc(C#N)n1C	748285433	XWMPHGRJKPORES-UDWIEESQSA-N	402.498	4.710	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)c1C	749509395	MQEYRYMVDBGFDA-JAIQZWGSSA-N	404.514	4.765	50	20	HJGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	750798267	BPWPJIPAYQXQJD-BBWFWOEESA-N	416.653	4.852	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c1C	752001702	JQGAAHKJIQLFQF-RBYWHNRPSA-N	409.534	4.730	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	753811509	SIUZVXXNQWBIMK-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(F)c(F)cc1Br	754153666	IPEVEHYWBHHDBW-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
CC[C@H](Cc1ccccc1Br)C(=O)NNc1nc(C(F)(F)F)cs1	758298601	NOWMWEGHTUDVRQ-SECBINFHSA-N	422.270	4.636	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccccc2SCc2ccco2)c(C)c1	761656875	NAUMXCVHLXGAHO-UHFFFAOYSA-N	411.552	4.820	50	20	HJGD	
CCN(CC)c1ccnc(NNC(=O)c2sc3cccc(Cl)c3c2Cl)n1	762915936	MBRSUUZMWPUYKO-UHFFFAOYSA-N	410.330	4.601	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2	768592087	UPTIKIBJKZOIEP-IZILLXMLSA-N	417.509	4.778	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(N2CCCC2=O)c(Cl)c1	769943311	OLCBMBVHWUBNEP-UHFFFAOYSA-N	412.799	4.634	50	20	HJGD	
CC(C)n1ncc2ccc(NC(=O)NNc3ccc(F)cc3Br)cc21	769985523	JVJKMVIEGROYII-UHFFFAOYSA-N	406.259	4.667	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3ccc(C(F)(F)F)cn3)cc12	775247955	KXRORSOSJCHEPT-UHFFFAOYSA-N	417.416	4.566	50	20	HJGD	
Cn1c(/C(C#N)=C/c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)nc2ccccc21	777466276	WKANYNVQHIOORH-LICLKQGHSA-N	407.399	4.901	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(-c4cccc(Cl)c4)on3)c(C)cc2c1	778476292	GGZDMJQZBHWYMF-UHFFFAOYSA-N	408.845	4.617	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1	780738640	OLSNXWMZKZMODS-UHFFFAOYSA-N	413.433	4.552	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)ccc1[C@@H](C)O	781004159	XHWDTGXVKMQUHE-DBRLUCFCSA-N	420.557	4.590	50	20	HJGD	
CCOc1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1	782933301	GVSRSVRAXUGLOT-UHFFFAOYSA-N	404.382	4.939	50	20	HJGD	
Cc1cc2c(Br)ccc(C(=O)NNc3nccc4sccc34)c2o1	785978240	RNWRUEALQNTWCV-UHFFFAOYSA-N	402.273	4.870	50	20	HJGD	
COc1cc(/C=C(/C(=O)NNc2ccc(Cl)c(OC)c2)c2ccccc2)ccc1O	790180515	MLNZTRVUSBSTJX-LDADJPATSA-N	424.884	4.747	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1	790483353	NNAVALTWAFTAEI-UHFFFAOYSA-N	412.377	4.683	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Br)s2)c(C)n1C1CCCCC1	793134204	STJOSKKYAIGOQW-UHFFFAOYSA-N	424.364	4.509	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccnn2-c2ccc(F)cc2)c(C)n1CC(F)(F)F	794874078	XFDQATYOQVALBB-XNTDXEJSSA-N	416.378	4.782	50	20	HJGD	
N#C/C(=C\c1c(F)cccc1Br)C(=O)Nc1ccccc1Br	794875240	ONCBJKVOSCOIBM-CSKARUKUSA-N	424.067	4.896	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(Oc2cncc(Cl)c2)CC1	816683728	VZWNSGFMDUAAJT-KRWDZBQOSA-N	400.997	4.819	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c(C)n1C[C@H]1CCCO1	903141536	OXSVZQANDDRFDI-DAIOKFOQSA-N	412.559	4.584	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2cn(CCC#N)c3ccccc23)n1	915863663	FPQYWHXRCAMRTA-PTNGSMBKSA-N	403.511	4.855	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3ccccc3C(=O)O)c3ccccc3n2)cc1	915922858	JSLXYYFEQGMCBL-UHFFFAOYSA-N	409.445	4.672	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccccc1OCc1cccnc1	915943911	NFDOGDJVYZCVOI-UHFFFAOYSA-N	411.914	4.556	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1ccc(Cl)cc1	916254236	PVKYBVSIVPUNQK-UHFFFAOYSA-N	407.688	4.905	50	20	HJGD	
O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccc(Br)s1	916356497	DTNJEBADYPHKIK-UHFFFAOYSA-N	415.312	4.854	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c2ccccc2n1	916646847	RIFSWDRSRYAMMR-QFIPXVFZSA-N	420.488	4.558	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1	917145881	VLJSVOZFRIMLBG-FOWTUZBSSA-N	406.873	4.697	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC(F)F)cc2)c(C)n1CC(C)C	917352791	BYUUGUJCOLBBJZ-VXLYETTFSA-N	401.457	4.586	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)c2ccc(Br)cn2)c1C	917694557	CIRRZCRHRMSJGM-GZTJUZNOSA-N	415.335	4.633	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc(-n3ccnc3)cc2)c(C)n1CCC(C)C	921146916	NETIKFODLWERCK-UCQKPKSFSA-N	415.541	4.560	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C#N)c1)c1nc(N)c2ccccc2n1	1318406546	QQWVZKPVGOWTOP-UDWIEESQSA-N	403.445	4.727	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]ccc4n3)CCC2)cc1	1786445157	VKEVJJUFGJSGCQ-QGZVFWFLSA-N	424.932	4.718	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccn(C(C)C)n3)CCC2)cc1	1786447027	MRKHMZGUJNWXOG-GOSISDBHSA-N	416.953	4.619	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)CCC1	1791350442	DAXHFDQAWHABEW-JXFKEZNVSA-N	414.933	4.605	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccs2)n[nH]1	1815990127	MGSZZHRYOYMNBB-RDJZCZTQSA-N	422.982	4.504	50	20	HJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=S)Nc3ccccc3F)cc2C1	8145720	BOZVHTNPFLHWCB-CYBMUJFWSA-N	405.564	4.670	50	20	HJGD	
Cc1ccc(C(=O)NNc2cccc(Br)c2)cc1NC(=O)c1ccccc1	195546581	UNZVYEWQYHQBNH-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c1C	727395756	NOJRDHPELNGVPZ-QCHPHUCNSA-N	409.505	4.551	50	20	HJGD	
Cc1cccc(-n2c(C)cc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)c2C)c1	727806480	ZJUZIPZFVHDJFS-UHFFFAOYSA-N	416.308	4.784	50	20	HJGD	
CC(C)[C@H](NC(=O)NNC(=O)CCCc1ccccc1)c1cccc(C(F)(F)F)c1	727844530	XCYPGEWTRTYTMJ-FQEVSTJZSA-N	421.463	4.756	50	20	HJGD	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727846862	KPAUVEYZDBRKSL-UHFFFAOYSA-N	421.111	4.787	50	20	HJGD	
COc1cccc([C@H](C)N2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)c1	728891078	HHBBBYUHXYCUJR-FXAWDEMLSA-N	408.633	4.615	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cc(C)c(C(=O)O)o2)cc1	729936629	FFJXFLZXEBQCMG-LDADJPATSA-N	416.433	4.719	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cccc(Oc3ccccc3)c2)c1C	734256948	VLUKZBVUZJRFKQ-UHFFFAOYSA-N	411.465	4.705	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)c2ccccc2)c1C	735438550	GYONVCHFCPVJSK-VXIUPONVSA-N	419.447	4.815	50	20	HJGD	
CCCCC(COC)=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	737418220	RPBLMKPWLJDPIM-UHFFFAOYSA-N	410.543	4.778	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1C	739597971	AOKXOHXZHVBRAR-PXLXIMEGSA-N	420.557	4.533	50	20	HJGD	
O=C(N[C@H](Cn1cccn1)c1ccccc1)NN(Cc1ccccc1)c1ccccc1	741429413	ZHPPTQVGTBKUCF-XMMPIXPASA-N	411.509	4.545	50	20	HJGD	
Cc1ccc(CCCNC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c(C)c1	744470175	PSNJSMVNQXTCGF-VVIXHQMUSA-N	419.569	4.557	50	20	HJGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)s2)cc1	747051309	OIDXVCUFEDZGNX-UHFFFAOYSA-N	410.296	4.813	50	20	HJGD	
C/C(=C\C(=O)NNc1ccc(F)cc1Br)c1ccccc1OC(F)F	748073449	BJZRUHMBZUUVQH-CSKARUKUSA-N	415.209	4.736	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3ccc(Br)cc3F)cs2)c1	748171342	OERKOPJWXKEZDX-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1	748570186	CMHDSYMOVMVGGN-UHFFFAOYSA-N	406.486	4.864	50	20	HJGD	
C[C@H](Sc1ccc(Br)cc1)C(=O)NNc1cccc2cnccc12	748763420	ZHBWUBYMPFDIFJ-LBPRGKRZSA-N	402.317	4.621	50	20	HJGD	
Cc1ccc(C(C)C)c(OCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1	751861773	TXAIHUOACFCZCZ-UHFFFAOYSA-N	409.313	4.655	50	20	HJGD	
CC(C)COC(=O)Nc1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)c1	756219625	JHOCJYOHBQNGKN-UHFFFAOYSA-N	420.469	4.511	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1	757820023	POLSUOVWHQVDDD-UHFFFAOYSA-N	416.227	4.523	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](CCO)c2cccs2)c(C)n1C1CCCCC1	761937907	YDNDOVWQGJSSTB-LUDQZLGDSA-N	411.571	4.819	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2OC(F)F)c1C	762196020	QRQQFAURIDNNIB-UHFFFAOYSA-N	415.465	4.689	50	20	HJGD	
Cc1ccsc1CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762642538	TVFSZSWKKFJFMB-UHFFFAOYSA-N	400.394	4.969	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(-c2cccnc2)c1	768475709	AGBOGCWUHMQVHR-UHFFFAOYSA-N	404.520	4.601	50	20	HJGD	
N#Cc1ccccc1Oc1ccccc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	778236360	XKOSJMMPUWMQKM-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccc1Br	780950434	HIZKSKFWKJRAGM-UHFFFAOYSA-N	422.282	4.509	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ccnc(-c2ccc(Br)cc2)n1	785349797	ODOQZFPPOURABI-ATVHPVEESA-N	420.266	4.556	50	20	HJGD	
O=C(NNC(=O)NC1CCC2(CCCCC2)CC1)Nc1ccc(OC(F)F)cc1	786863353	SZUDYZJOLVBETM-UHFFFAOYSA-N	410.465	4.517	50	20	HJGD	
CN(NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	787993205	NXLXSWUBVGSWTL-UHFFFAOYSA-N	405.285	4.534	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCN(C3CCOCC3)CC2)cc1	788022378	NLBNIIXINIEEQT-UHFFFAOYSA-N	404.671	4.505	50	20	HJGD	
CCCN(N=C(C)c1cnc2sc(C(=O)OC)c(C)c2c1)C(=O)OC(C)(C)C	794997820	GGWGEDLGGJHIMR-UHFFFAOYSA-N	405.520	4.762	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(-c3cnn(C)c3)s2)c(C)n1CC(F)(F)F	800791917	XMXSEOITNARKJN-VGOFMYFVSA-N	418.444	4.919	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(C#N)cc1)c1csc(-c2c(F)cccc2Cl)n1	810681804	XNVGONZGAGWHRZ-UHFFFAOYSA-N	414.893	4.895	50	20	HJGD	
CSc1nc2ccc(NC(=O)C(=O)NNc3c(C)cccc3C(C)C)cc2s1	813047200	PSHDSHFKRMPHIS-UHFFFAOYSA-N	414.556	4.532	50	20	HJGD	
CCOc1ccccc1C=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	915905591	VYSUQZUILSTGCM-UHFFFAOYSA-N	410.477	4.702	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1	916138960	OXKWORONHIINQQ-AQTBWJFISA-N	415.884	4.971	50	20	HJGD	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1	917214407	OYAZRQGIUPQQOH-UHFFFAOYSA-N	423.856	4.853	50	20	HJGD	
CCN1CCC[C@H]1Cn1c(C)cc(C=NNC(=O)c2ccc3ccccc3c2)c1C	917545296	RIBDRXMXSKXKBO-DEOSSOPVSA-N	402.542	4.506	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2OCC(F)(F)F)c1C	917860874	DXWOWGOSEBJHRZ-ODLFYWEKSA-N	419.447	4.679	50	20	HJGD	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CCSc2c(F)cccc21	918210769	UHWPXWLXDNBQHP-LBPRGKRZSA-N	420.819	4.756	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)CC3CCCC3)cc2)cc1	934154029	XDUBOPBTYAQBHG-UHFFFAOYSA-N	400.544	4.666	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccnc3SC)cc2)CCC1	1789926717	JLZRLFBHHMRZAB-QGZVFWFLSA-N	417.962	4.569	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C4CC4)cc3)CC2)C1	1806164508	JGTVGQCFWHRBNS-OAQYLSRUSA-N	416.993	4.816	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3sccc3Cl)CC2)C1	1806164527	DFGWRURVSMUWNR-OAHLLOKOSA-N	417.402	4.654	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Cl)c(C)c1Cl	1847866831	HKDACAVTPSCWPW-PMPSAXMXSA-N	417.764	4.525	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc1	5178048	RJIKZQHYNXYRBH-CPNJWEJPSA-N	406.482	4.606	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c1C	5870381	IWZKDWRGJPJGCZ-VCHYOVAHSA-N	413.905	4.566	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(-c2ccccc2)nc1C	16259880	YANDRKJKRIJQMM-UHFFFAOYSA-N	404.539	4.559	50	20	HJGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1c(F)cccc1O[C@H](C)c1ccccc1	730144819	IWGPYZICOLZROU-MRXNPFEDSA-N	411.502	4.814	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2F)c(C)n1-c1cccc(Br)c1	733363050	JVYHYLBMORHRPV-UHFFFAOYSA-N	420.257	4.892	50	20	HJGD	
CCn1cc(CN(C)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cn1	733842868	CNKHUDMBUFSZGO-CQSZACIVSA-N	406.861	4.786	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12	733874292	ZWLIABRTVRXYDZ-QBHLMBNYSA-N	419.956	4.766	50	20	HJGD	
CC[C@H](NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1cccs1	734368126	IHYRNBGPZKJXOR-NSHDSACASA-N	409.989	4.876	50	20	HJGD	
Cc1ncc2c(n1)CCC[C@H]2NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	734793796	QYGNVMQDNDZXKK-VGTKIRILSA-N	417.557	4.809	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC3(CCCC3)CC2)c(-c2ccccc2)n1	737989050	KBNJXZPKBZQEHZ-FXBPSFAMSA-N	413.525	4.554	50	20	HJGD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Oc1ccc([N+](=O)[O-])cc1Br	739313241	BBCLEYOZVGIPBD-MRVPVSSYSA-N	418.602	4.523	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=Cc2cnc(-c3ccccc3)s2)cc1Cl	741772666	YWMVNWINIFCAKV-UHFFFAOYSA-N	416.890	4.636	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(CC(F)(F)F)c2)c1C	742827371	ZVCOGOIDHQZVSB-HNIBHBHRSA-N	419.447	4.963	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3[C@H]4CCCO[C@@H]4C3(C)C)cc2)cc1	743423509	RWDDDHOSPKBMGJ-GGAORHGYSA-N	422.525	4.585	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)c2ccc(N3CCCCCC3)cc2)o1	746490744	MTDILBNHBGRXRR-UHFFFAOYSA-N	410.562	4.656	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccccc3)on2)c1C	747987514	KSJPUDQWMWJOCU-YODDIOPGSA-N	404.470	4.513	50	20	HJGD	
CN(C)c1ccc(-c2cncc(C(=O)NNc3ccc(Cl)cc3Cl)c2)cc1	748008604	ZTVPJEBVZFQOMR-UHFFFAOYSA-N	401.297	4.878	50	20	HJGD	
Cc1cccc2[nH]c(COC(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)cc12	754705786	XVTHOSIXYRJDFN-VMOHIOPYSA-N	417.509	4.724	50	20	HJGD	
CCCOc1cn(-c2ccccc2)nc1C(=O)NNc1c(Cl)cccc1Cl	763615566	NLRPZFVKRIMPMX-UHFFFAOYSA-N	405.285	4.725	50	20	HJGD	
CCC1(CO)CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	763915317	PPVCAZSDUDJKFX-CQSZACIVSA-N	410.889	4.922	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768331929	MJQOWLPZULOBKN-UHFFFAOYSA-N	423.425	4.551	50	20	HJGD	
O=C1CSc2ccc(NC(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc2N1	769941593	FFMJEYLTOXXCHK-UHFFFAOYSA-N	417.705	4.840	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)n1	770014550	QBCSPVABAGUZTB-UHFFFAOYSA-N	418.432	4.722	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1cc(F)c(F)c(F)c1	770087638	MLHZBTQFTSPHKQ-UHFFFAOYSA-N	405.445	4.952	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1csc(Cc2cccc(F)c2)n1	771688329	AYUVIQXNRWTUSX-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1	776640570	LTEAQZHZGXFAEL-YRXHENJZSA-N	404.416	4.678	50	20	HJGD	
CCCc1nc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)s1	777043900	QEDSVLJXEHYGCS-ZYNFKGNASA-N	412.559	4.547	50	20	HJGD	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NNc2cc(Cl)ccn2)cc1	778447445	UIRYNCMMGGPZAG-UHFFFAOYSA-N	414.918	4.929	50	20	HJGD	
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)NNc2ccccn2)ccc1Cl	779029964	UZEIJUMLDUOLNG-UHFFFAOYSA-N	423.904	4.546	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)c1C	780236158	KHUPRBCHOUCQKR-DHDCSXOGSA-N	423.847	4.552	50	20	HJGD	
CC[C@@H](CSC)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	785086039	UUXJEJICBMNDRQ-NSHDSACASA-N	406.442	4.883	50	20	HJGD	
CCCOc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)cccc1OCC	787151245	LBCCOGRUTPQWNJ-MNTXUITRSA-N	408.498	4.667	50	20	HJGD	
O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NNc1ccc(Cl)c(F)c1	787464017	APSDMBUETIHGOQ-UHFFFAOYSA-N	410.301	4.866	50	20	HJGD	
COc1cccc(/C=C(\CC(=O)N2CC=C(C#N)CC2)c2nc3ccccc3s2)c1	787483871	WCXDMLWYHDUFDG-CPNJWEJPSA-N	415.518	4.918	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12	788193857	YRJPYBQSDNZHMP-UHFFFAOYSA-N	418.424	4.673	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c(-c2ccccc2)n1	788352128	RDXOBTOBRQLBQH-BOPFTXTBSA-N	409.424	4.874	50	20	HJGD	
COc1cc(NNC(=O)NCc2ccnc(Oc3ccccc3F)c2)ccc1Cl	789250278	GNPXYTSRBDIOOH-UHFFFAOYSA-N	416.840	4.501	50	20	HJGD	
COc1cc(NNC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1Cl	789804413	CCCZWFXNPQPTBR-UHFFFAOYSA-N	403.910	4.677	50	20	HJGD	
Cc1cc(C(=O)NNc2c(Br)cccc2Br)c(F)cc1F	801499934	INYFAZVGTDCEQJ-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1	804181412	JMVVQOGBKMGWOJ-UHFFFAOYSA-N	413.871	4.810	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	805459456	MJNOITOMKOSEBR-UHFFFAOYSA-N	410.827	4.591	50	20	HJGD	
CCCCn1nccc1NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	807468781	BDYOOXBEPCMIBB-UHFFFAOYSA-N	412.384	4.918	50	20	HJGD	
CN1CCO[C@H]([C@H](NCc2ccc(OCCCCl)cc2)c2ccc(Cl)cc2)C1	811486061	IFGXTMQYNPJSGB-FCHUYYIVSA-N	423.384	4.509	50	20	HJGD	
ClCCCOc1ccc(CN2CCOC[C@@H]2c2nc3ccccc3s2)cc1	811500737	LYCYHFMGFYUERJ-LJQANCHMSA-N	402.947	4.878	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2OC(F)F)c1C	833413167	AKWQTQJUGCGYAC-XDHOZWIPSA-N	401.457	4.730	50	20	HJGD	
O=C(NN=Cc1cccc(F)c1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	915908840	QVQKZLLSYJVSEN-UHFFFAOYSA-N	423.447	4.903	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccccc2-c2ccccc2)cc1OC	917516021	HUKAPCHBFFSVQO-OQKWZONESA-N	412.489	4.637	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nnc(C(F)F)s2)c(C)n1-c1ccccc1F	920229126	KCXMPQPZDRFCCC-MDWZMJQESA-N	417.416	4.568	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cccc(OCc2cccc(C(=O)O)c2)c1)c1ccccc1	1327921064	RZVUBKUZJXCOOK-BKUYFWCQSA-N	412.445	4.534	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1	1785799547	DPVZLAYVQCUTPH-CQSZACIVSA-N	412.908	4.821	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1c(F)cccc1Cl	1788586056	AMDOGLFGZQICAX-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C3CC3)CCC2)cc1	1790485483	CGBYIOUQYNMRCX-INIZCTEOSA-N	417.962	4.786	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CCC3)CCC2)cc1	1790485916	MIJQITYLOJPJDY-OAHLLOKOSA-N	416.871	4.871	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C(C)(F)F)CCC2)cc1	1790487692	KKYORQNEZNENMS-HNNXBMFYSA-N	400.897	4.819	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1	1815314613	NFTRYTNPWXSOIH-JSGCOSHPSA-N	422.879	4.542	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2F)CC1	1824616115	RVZJIQMWKVSMDO-PZJWPPBQSA-N	422.972	4.775	50	20	HJGD	
CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)cc1	1830070973	XSTNOTXDHSVVFD-OAQYLSRUSA-N	419.009	4.747	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNC(=O)OC(C)(C)C)c(C)n2C1CCCCC1	195676183	MEQLAXLESZOPIZ-UHFFFAOYSA-N	401.507	4.633	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNC(=S)N[C@H](C)c2cccs2)cc1	726437607	GSFOAJZDHYPRKE-OAHLLOKOSA-N	405.589	4.577	50	20	HJGD	
CCCCC[C@H](NC(=O)NNC(=O)c1cccc(OC(F)F)c1)c1ccccc1	728598377	ALFJSCMUNGOCTA-SFHVURJKSA-N	405.445	4.554	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(O[C@H](C)C#N)cc2)c(C)n1CC(F)(F)F	728699475	SJRLPMYFQYSSCL-IREQLNLFSA-N	401.388	4.748	50	20	HJGD	
CCc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)cnn1-c1ccc(C)cc1	729515214	FLIJSNBJAKJWEB-UHFFFAOYSA-N	405.889	4.702	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)C(C)(C)c3ccccc3)c2Cl)cc1	731151441	ZETGSRXEBUZUNE-UHFFFAOYSA-N	408.933	4.630	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NNc1ncccc1Cl	734246365	RXZZSSPLQHMDKP-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@H](SCc2ccccc2)C(C)C)c1C	734255502	CKXIJFHURSUGAS-HXUWFJFHSA-N	421.570	4.557	50	20	HJGD	
CC[C@H](Cc1cccc(Br)c1)C(=O)NNc1ncccc1C(F)(F)F	740096773	VTBFERAOVDICDZ-GFCCVEGCSA-N	416.241	4.575	50	20	HJGD	
O=C(NNC(=O)N[C@@H]1CCc2ccc(F)cc21)Nc1ccc(-c2ccccc2)cc1	743595622	DXIZCDLHPUPGHI-OAQYLSRUSA-N	404.445	4.516	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1nc(C(C)(C)C)no1	745919577	JTJFLZQJLMBDEM-SSDOTTSWSA-N	406.701	4.715	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccn(CC(F)F)n2)c(C)n1C1CCCCC1	748759714	ILKAMARYYQMFSM-GZTJUZNOSA-N	401.461	4.617	50	20	HJGD	
Cc1nc(-c2cc3c(s2)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C3)cs1	752737120	SCFAXRJNQPICBG-NVNXTCNLSA-N	409.511	4.811	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc2ccccc2c1	754876357	LKGAHMBXPPCVNL-UHFFFAOYSA-N	401.853	4.630	50	20	HJGD	
Cc1nc(-c2cccc(NC(=O)NNC(=O)c3ccc4ccccc4c3)c2)oc1C	756195283	YXJVSSMHXGWSEV-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	758415974	BECFGOMWHPFDLW-SKCQWOFPSA-N	415.474	4.686	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2F)c1C	760178770	WAEGFSLVBWAIFC-GYXHFJGISA-N	414.452	4.905	50	20	HJGD	
C[C@@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1noc(-c2ccccc2)n1	761801363	UAEGUZPPKRYEDA-GOSISDBHSA-N	413.481	4.719	50	20	HJGD	
COc1ccccc1OCc1ccc(C(=O)NNc2c(Cl)cccc2Cl)o1	763616162	VTJVMWMJIWZHSJ-UHFFFAOYSA-N	407.253	4.931	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F	771105775	YHJZVARPVLPSDW-UHFFFAOYSA-N	410.371	4.650	50	20	HJGD	
N#C/C(=C\c1ccc2ccc(Br)cc2n1)C(=O)c1cccc2c1OCCO2	771519265	BWFNVNRYLDBFDY-GXDHUFHOSA-N	421.250	4.558	50	20	HJGD	
COc1cc(/C(C#N)=C\c2cn(C)nc2-c2cc3ccccc3o2)ccc1[N+](=O)[O-]	774558332	BCZWEALTGIPGTE-SXGWCWSVSA-N	400.394	4.814	50	20	HJGD	
O=C(O)c1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1F	777644364	DUNQNJNMJVSDBE-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	781033266	WNUSEJPCFAWVEE-UHFFFAOYSA-N	423.744	4.948	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(Cl)cn2)c(C)n1C[C@@H]1CCCO1	781608715	RUQIEJNMJQEDKI-DKBSXYQFSA-N	413.905	4.544	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)c1	782048794	NSNALGOUZXAMCA-UHFFFAOYSA-N	420.252	4.500	50	20	HJGD	
O=S(=O)(NC[C@@H]1Cc2ccccc2O1)c1ccc(S(F)(F)(F)(F)F)cc1	782984838	XEHXKFZYQFQRPH-LBPRGKRZSA-N	415.405	4.626	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNc2nccc3sccc23)c(C)c1	783438870	UZDKCXTVUKKJKY-CYBMUJFWSA-N	414.556	4.577	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ncc(-c2ccccc2Br)o1	785345468	PRRHSAWNBOESSZ-GDNBJRDFSA-N	409.239	4.754	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)NC2CCCC2)c(C)n1C1CCCCC1	786425397	GHDKPIQMGBBWPT-HJHGFDQJSA-N	411.546	4.508	50	20	HJGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)cc1Cl	792437754	LIVMVQMXAWADKZ-UHFFFAOYSA-N	416.692	4.516	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)[C@@H]1CCCOC1	794884535	PZFSCBAPLKZMJA-UIMCMNAESA-N	401.441	4.581	50	20	HJGD	
CC[C@@H]1CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C[C@H](C)S1(=O)=O	805772787	KQALVVBUHYJNKR-FXAWDEMLSA-N	411.684	4.606	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1	811140819	RKQRKWPIZXQEFH-UHFFFAOYSA-N	405.445	4.957	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1	817895771	GHWJMKLOCOWRPS-UHFFFAOYSA-N	402.454	4.596	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cnn(-c2ccc(Cl)cc2)c1	915950303	ILEVXHZIPGIERZ-UHFFFAOYSA-N	421.913	4.722	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1cccc(OC2CCCC2)c1	917545586	XBBHACZZVXRUNL-UHFFFAOYSA-N	405.523	4.824	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccccn2)C(C)C)c(C)n1-c1ccc(F)cc1	917776279	OECVMSWVXAIJDG-KGENOOAVSA-N	416.500	4.972	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1c2ccccc2C[C@H]1O	918205231	JWGZHIHILFMGKZ-BMFZPTHFSA-N	416.852	4.686	50	20	HJGD	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)s1	919858717	RPCCFXBSQOWZFT-MCRQTXEHSA-N	415.522	4.618	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2nnc(C(F)F)s2)c1C	920228869	BMVWBFAUMVKSNS-DHDCSXOGSA-N	413.453	4.737	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(-c3cccs3)s2)c1C	1323701420	ONKACKUYJPKMIY-UHFFFAOYSA-N	407.524	4.702	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(Br)ccc2Br)cc1Cl	1338328528	YFVLJTFQKTWXHZ-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@H]2OCCC[C@@H]2C1	1338424807	XHLMAJDTIKGBHJ-BXUZGUMPSA-N	407.426	4.534	50	20	HJGD	
Cc1ccc([C@H](C)C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)cc1	1788587649	KTQRQIGNEUCCIG-KXBFYZLASA-N	402.897	4.767	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cc2ccccc2o1	1789005921	QLULCVALDSKKLE-UHFFFAOYSA-N	417.292	4.984	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	213905136	NIVRLFBCBRNAAB-SSZFMOIBSA-N	403.394	4.799	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CC(F)(F)F)cc2)c1C	303911613	RHSZMRZUYFSFHZ-SMLKNPDNSA-N	419.447	4.963	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)cc1	726743424	GTXRTNKGZRMXKE-FRKPEAEDSA-N	415.276	4.544	50	20	HJGD	
O=C(CCCc1ccccc1)NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1	727838113	LNPZMBVWIFPUIY-RUZDIDTESA-N	411.505	4.736	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)c1C	730587856	RRKWWFIBAKWJSZ-LBPRGKRZSA-N	410.370	4.807	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1ccc2ncccc2c1	731477278	BBCAOPWEFXUISZ-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1)c1ccccc1	732237914	NYGMAZFSOXVSAN-YWZLYKJASA-N	422.554	4.704	50	20	HJGD	
Cc1c(COC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)oc2ccccc12	734290735	VOFCVWMPJODQBY-OCBOALCKSA-N	418.493	4.989	50	20	HJGD	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1ccc(Br)cc1	738507523	QCKBMVPZQHKOGW-NSHDSACASA-N	401.226	4.790	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1	741869904	JKENSRJXHCXXCC-UHFFFAOYSA-N	403.722	4.978	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1	743627492	BSJGMLUUBYMEEL-DEOSSOPVSA-N	409.489	4.768	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)cc1	748128103	UXYMLCLNDWTRMR-UHFFFAOYSA-N	415.840	4.686	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	748171522	TWBISTDVCGZMIT-UHFFFAOYSA-N	401.394	4.781	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1occc1COc1ccccc1	748703164	OOJHEWZYOLZFGS-UHFFFAOYSA-N	406.360	4.557	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2cccs2)nc1C	748730319	LDBPZTRJWAQRKK-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	751676661	ZSTQIBXNBDSWIZ-LFIBNONCSA-N	407.832	4.999	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(Cl)c(Br)c2)cc1C(F)(F)F	753656647	PFCKYBHYNHEPJA-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cccc(S(F)(F)(F)(F)F)c1	762517271	HCWIHXCUUHEQKW-UHFFFAOYSA-N	405.352	4.501	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2OC(F)F)c1C	762525470	SIZAFFDFNOMRHC-OQLLNIDSSA-N	423.847	4.552	50	20	HJGD	
CC(C)(C)OC(=O)NCCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762973071	CCALGYVNYAKAKJ-UHFFFAOYSA-N	405.389	4.990	50	20	HJGD	
C[C@]1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO[C@H]1C1CC1	767300714	MUTKYXFADHHWSA-LSDHHAIUSA-N	421.453	4.828	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1Br)S(=O)(=O)c1ccc(Cl)cc1	767717713	FYFHWKNSFKDWJQ-AUWJEWJLSA-N	400.656	4.580	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C\c3cnn(Cc4ccccc4Cl)c3)nc(O)c2c1C	767898746	BJNXVMTWBIDVEL-APSNUPSMSA-N	421.913	4.976	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cc(O)ccc1Br	769775660	GIHVXWGMHHQHHC-WUXMJOGZSA-N	421.678	4.671	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc3ccc(Br)cc3n2)cc1	771521268	SKPFYSMNDOZYQI-GXDHUFHOSA-N	408.255	4.552	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)CCc1ncc(-c2ccccc2Br)o1	771689635	XOFHSGAKHLFLTM-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
COc1cc(/C(C#N)=C\c2csc(-c3ccc4c(c3)OCO4)n2)ccc1[N+](=O)[O-]	774561088	OSWPOKOGKLDWQU-NSIKDUERSA-N	407.407	4.520	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3ccc(C(F)(F)F)cn3)cc2)n1	775254774	VLNJWQQORBZXGN-UHFFFAOYSA-N	424.473	4.915	50	20	HJGD	
O=C(NN=Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccc(Cl)cc1F	777438754	JVCQLYUUUWXOIX-UHFFFAOYSA-N	424.785	4.507	50	20	HJGD	
CN1CCCC[C@@H]1CCN(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777979638	RUFIZLQKSAJUQC-CYBMUJFWSA-N	422.485	4.839	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](CO)c2ccc(F)cc2)c(C)n1C1CCCCC1	778513155	YHVSRIFKINHNHC-JPFXZVHCSA-N	409.505	4.506	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cn(-c2cccc(Cl)c2)nn1	782231884	KRQXJHWNCSFVJL-UHFFFAOYSA-N	411.918	4.871	50	20	HJGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(SC3CCCCC3)cc2C)cc1	783035804	DILPQSBLCOLWFF-UHFFFAOYSA-N	413.543	4.510	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2ccncc2)cc1)C(=O)NCc1cccc(Cl)c1	786056001	KNWVRBLWBDIQPX-UDWIEESQSA-N	403.869	4.537	50	20	HJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)N[C@H](C)c3ccc(OC)cc3)cs2)cc1	787151242	LANIUWJFSAOOHN-PWDRBQJJSA-N	419.506	4.612	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1C(F)(F)F)c1c[nH]c2ccccc12	794459060	HFBXYIADXGUYMF-UHFFFAOYSA-N	410.193	4.713	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCC2(C#N)CCOCC2)c(C)n1CCC(C)C	800111996	XGSCOODQEOKMCC-JCMHNJIXSA-N	411.546	4.702	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	805372588	ADPXOQIAMIGOLS-UHFFFAOYSA-N	401.344	4.744	50	20	HJGD	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806834833	GSJCCLKRPWZLIX-HXUWFJFHSA-N	418.522	4.508	50	20	HJGD	
CCc1nc([C@H](C)NC(=O)NNc2ccc(Br)cc2Cl)cs1	812038955	JENQBTWAPHYJNF-QMMMGPOBSA-N	403.733	4.509	50	20	HJGD	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1OC	812244381	ATMUFWUSTXHZGC-NTUHNPAUSA-N	418.247	4.614	50	20	HJGD	
O=C(NN=C1CCCC[C@@H]1CCCO)c1cn(-c2ccccc2)nc1-c1ccccc1	814703455	CPFNLHVEEVGYCP-LJQANCHMSA-N	416.525	4.588	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(C#N)cc2)c(C)n1-c1ccc(F)cc1	914497578	IYSPZRPZCJDMLL-LPYMAVHISA-N	412.468	4.671	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2ccc(Cl)cc2Cl)c1Cl	916284924	HBTJGGYKJHJLPN-UHFFFAOYSA-N	412.491	4.695	50	20	HJGD	
CCc1ccc(C(=O)NN=Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)cc1	916329872	ZZISBDQUINOKNP-UHFFFAOYSA-N	420.538	4.771	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)Cc1ccc(Cl)cc1	916350825	KSPOPGSNIZXTSN-UHFFFAOYSA-N	415.324	4.548	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCCC[C@@H]2c2ccccc2)c1C	917715561	ZCYIYEZKHKBXGG-YVJFHRMNSA-N	405.542	4.802	50	20	HJGD	
CCCOc1ccc(COC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	920142054	NWLDJAHBBQCXHP-YMSBRDKKSA-N	422.525	4.723	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccc(F)cc1F	1116126019	JRLGOEVDXRHNPI-QMMMGPOBSA-N	423.179	4.993	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NNc2cccc(F)n2)cc1	1322521462	RHIMALMGMBFBDY-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)[C@](C)(Cl)CCl)CCC2)cc1	1786012504	FSTDXLYBYSVHTI-GOSISDBHSA-N	419.780	4.622	50	20	HJGD	
C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H](Cl)CCC)cc2)CCC1	1786442762	PHPQNSCWRZMZMW-LJQANCHMSA-N	406.954	4.511	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1	1786899571	VIVACGSVXPSECK-IBGZPJMESA-N	402.922	4.754	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3coc(C(C)C)n3)cc2)CCC1	1787025365	YOKVRQRSLMFXGS-QGZVFWFLSA-N	417.937	4.953	50	20	HJGD	
CC[C@@H](C(=O)N1CCCC2(CCN(C(=O)C(C)(C)CCl)CC2)C1)c1ccccc1	1809006071	IZYNDMSBXSMDLU-HXUWFJFHSA-N	419.009	4.676	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1	1824855712	NRSLAVQXGYXECG-ACRUOGEOSA-N	422.972	4.724	50	20	HJGD	
CC(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)cc1	1827610983	KVEBDMKCLAKCSR-PMACEKPBSA-N	408.945	4.578	50	20	HJGD	
C=C1CC(C(=O)N2CC3(CCCN3C(=O)CCCCCCCCCCCl)C2)C1	1845124281	WXTXAJIYIBNSQI-UHFFFAOYSA-N	409.014	4.906	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3ccc(NC(C)=O)cc3)n2)cc1	212388254	OZDSQKCMGBVCTN-UNOMPAQXSA-N	416.506	4.877	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc([C@H](C)O)cc3)c2C)cc1	726193158	JWZIUJDDFCGQIH-CFKHXJFWSA-N	413.521	4.679	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2cc3c(Cl)cccc3s2)cc1	727500609	VSTKTDXNRDBENP-UHFFFAOYSA-N	419.959	4.973	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2cc(Cl)cc(Cl)c2)c1	728430875	HDYXVRWRVFUCJV-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CC(C)(c3ccccc3)C2)cc(OCC)c1OCC	729632752	ISQPBNQYRBRKCV-UHFFFAOYSA-N	410.514	4.720	50	20	HJGD	
Cc1noc2nc(C(C)C)cc(C(=O)NNc3ccc(Br)cc3Cl)c12	733805154	DWKGTKOFUYFEQQ-UHFFFAOYSA-N	423.698	4.827	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c(OC(F)F)c1	734096716	QUMAMCUSYBKREA-WQLSENKSSA-N	412.314	4.861	50	20	HJGD	
Cc1cc(NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)ccc1Br	734251719	YLAUZCNKTCYCOP-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)c2nccs2)c(C)n1-c1ccccc1F	734803344	ADSCKDDTTZLMSQ-ATVHPVEESA-N	408.502	4.648	50	20	HJGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1c(F)cc(F)cc1Br	742709031	UIGIPYIISMKJCB-SNVBAGLBSA-N	401.226	4.578	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1	748300531	UKPXFYVOINCHDT-KGENOOAVSA-N	417.534	4.783	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3ccc(OC(F)F)cc3)c2c1	748658951	BDZJZPCCWACVJZ-UHFFFAOYSA-N	420.419	4.964	50	20	HJGD	
O=C(NNc1ccccc1)c1cc(-c2cccnc2)nc2c(Br)cccc12	749523815	LLYDTNQQEFGLRI-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)Nc1cccc(COC2CCCCC2)c1	756244251	HWMVNNGUHUUMRM-UHFFFAOYSA-N	415.921	4.585	50	20	HJGD	
CCOc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	759485318	ZXTFEHDIJYQNMZ-ZNBBLSJYSA-N	415.921	4.910	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(F)c(C(F)(F)F)c(F)c1	760458617	BCNQYVARPUEFCG-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3c(Cl)cccc3Cl)c3c2CCC3)cc1	763617403	JFYTWNQJKABYRB-UHFFFAOYSA-N	401.297	4.733	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21	768487015	SANMNIRPBVASBI-AWEZNQCLSA-N	417.897	4.701	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1cccc(CN2CCCCC2=O)c1	769992895	HBXMHMPIEMWCMF-UHFFFAOYSA-N	407.301	4.655	50	20	HJGD	
Cc1nnc(COC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)s1	773425290	QFSFCLFRKNIEQW-PXNMLYILSA-N	412.902	4.558	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3ncc(Cl)cc3Cl)ccc2n1-c1ccccc1	775271229	FDPHHBVXRZVJHF-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)S(=O)(=O)CBr	782401807	IWRANVLMZNFKTB-LBPRGKRZSA-N	422.797	4.517	50	20	HJGD	
COC[C@@H](C)n1ccc(NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n1	782699518	LQEWPXWSNIINRZ-QMTHXVAHSA-N	422.860	4.954	50	20	HJGD	
O=C(Nc1ccc(-c2nccs2)cc1)C(=O)NN(c1ccccc1)c1ccccc1	782821547	MISUCSRHNPLNKK-UHFFFAOYSA-N	414.490	4.618	50	20	HJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)cc1OC	786056908	VUPRUEWBLQIWNV-CHHVJCJISA-N	405.281	4.624	50	20	HJGD	
CCNC(=O)Nc1ccc(C)c(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	786420275	LFDQXTFTCSIAOO-UHFFFAOYSA-N	417.513	4.880	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)/C(C#N)=C/c3ccc(O)cc3)s2)cc1	787336317	DRKAHGSQOISVIW-IYSPOMMRSA-N	403.507	4.917	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1Cl)C(=O)c1ccc(OC(F)F)cc1	789147160	GCPQJLQIPWQYHY-YBEGLDIGSA-N	413.811	4.976	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccn2)C2CC2)c1C	790896937	JSTLNIXCXUNBBJ-PXLXIMEGSA-N	410.521	4.896	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)cc1Cl	803101995	DTILAXADZQXLNO-UHFFFAOYSA-N	408.811	4.588	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cccc(OC(F)F)c1	804208190	BGEMDXXAUMHODN-UHFFFAOYSA-N	424.329	4.521	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)N(C)CC(Cl)Cl)c3cnn(C(C)C)c3n2)cc1	808247850	RYKOYIZWPMZWHP-UHFFFAOYSA-N	405.329	4.863	50	20	HJGD	
O=S(=O)(NCc1noc2c1CCCC2)c1cccc(S(F)(F)(F)(F)F)c1	808324807	BOZMQRJXAUHSSD-UHFFFAOYSA-N	418.409	4.689	50	20	HJGD	
COc1ccc(NNC(=O)c2csc(-c3ccccc3C)n2)c(C(F)(F)F)c1	816701999	TWESJAPOVYYNHK-UHFFFAOYSA-N	407.417	4.903	50	20	HJGD	
CCC[C@H](C(=O)OCC)S(=O)(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	821197483	BNMIVPRRMPZNMM-GFCCVEGCSA-N	411.414	4.818	50	20	HJGD	
N#C/C(=C/c1csc(-c2cccc(Br)c2)n1)C(=O)NC1CCCC1	834741526	OXNXVIRZVXYJMP-LCYFTJDESA-N	402.317	4.538	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1C	863891388	OOLZYYFATIIAST-JWGURIENSA-N	420.557	4.933	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](c2cccs2)N(C)C)c(C)n1C1CCCCC1	863940526	IVSSMRCJTUUHQC-FBHQFGEZSA-N	424.614	4.998	50	20	HJGD	
C[C@@H](CC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1	913453857	MUTWWWDEXGEECH-NSHDSACASA-N	415.868	4.870	50	20	HJGD	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNC(=O)c1ccccc1	916249131	PPXQUZLDOWOEPX-UHFFFAOYSA-N	421.715	4.964	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(Oc3ccc(OC)cc3)CC2)c1C	916483384	RULVNISJOCSHOV-PGMHBOJBSA-N	421.541	4.501	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc3ccccc3n2)ccc1OCc1cccs1	917563161	HSAMPKBOIYJZOT-UHFFFAOYSA-N	417.490	4.648	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2)c1C	920006122	KRZITRSCQATBCX-QAIWHXNASA-N	406.530	4.589	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3cnc(C(C)(C)C)s3)cc12	920359052	QQBYHZVJSQIXNT-UHFFFAOYSA-N	423.567	4.913	50	20	HJGD	
C[S@@](=O)c1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	1320281969	JBRMZHIJHFHWAC-HSZRJFAPSA-N	421.434	4.882	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(C)n3)cc2)CCC1	1785825089	DEHGOOISPLHWPM-DRUFCSCSSA-N	411.933	4.555	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1	1787276866	TYBJMZSLJAZAFH-HNNXBMFYSA-N	421.360	4.669	50	20	HJGD	
CC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCCCCl)[C@H]1c1cccnc1	1806721029	QRRPAJCZCRLTNG-GGAORHGYSA-N	422.013	4.857	50	20	HJGD	
CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)CCC)[C@@H]1c1cccnc1	1812692355	CSYBYEZXMTYSKD-MJUUVYJYSA-N	422.013	4.711	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1	1824610282	XZLLKBLWPRVKEU-DLBZAZTESA-N	420.972	4.695	50	20	HJGD	
CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)cc1	1830058055	TXLXZMZTPRPDEA-UXHICEINSA-N	408.945	4.578	50	20	HJGD	
C=CCOc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC	23218311	WPMUWHAZGRDSHT-OQLLNIDSSA-N	424.305	4.905	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cc(C)cc(C)c2)c1C	24001566	MZOGEXGDVIDEFJ-DBRLUCFCSA-N	407.514	4.609	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c([N+](=O)[O-])cc1OC	63279114	JUDWRDGYJXMHNL-APSNUPSMSA-N	418.434	4.671	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)/C=C/c2cccc(OC3CCCC3)c2)c(C)c1	727864469	LDXFNZMRMICAAT-ACCUITESSA-N	409.555	4.656	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)c2ccc(C)cc2)c1C	728484130	ITUAAOZJYOTYBW-CVHFWEDTSA-N	407.558	4.622	50	20	HJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3cccc(C(F)(F)F)c3)c12	728716571	UIFLYDWFXHBKNF-UHFFFAOYSA-N	404.392	4.999	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3nccs3)c2C)cc1	728966955	GANMDTXLFUGUTI-ZHZULCJRSA-N	404.539	4.515	50	20	HJGD	
CCCOc1ccc(C(=O)NN[C@H](Cc2ccccc2)c2ccccc2)cc1OC	732917846	PRLVTMPWKZZJSE-JOCHJYFZSA-N	404.510	4.702	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c1C	736493971	YBHHQROHNRWTGG-QTCOBDOFSA-N	420.557	4.676	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@@H](c3ccccc3OC)C2)c1C	737746901	OAVRGAXEENFXMG-AREJXAQWSA-N	405.542	4.837	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc2noc(-c3ccc(F)cc3)c2c1	747590824	OURFERMRDJCNOQ-UHFFFAOYSA-N	401.319	4.808	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	756629974	BRRXCSIMQGWMEW-KBPBESRZSA-N	405.564	4.872	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OCc2ccc(Cl)s2)c(-c2ccccc2)n1	761395331	XWVRDCSNUKMAEV-WJDWOHSUSA-N	422.897	4.829	50	20	HJGD	
COc1ccc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	764420621	LXDXVGXXOSXPBA-ZWYCOSIFSA-N	408.498	4.504	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1ccccc1COCc1ccccc1	769958638	YWGWZQUYIYNZHH-UHFFFAOYSA-N	401.388	4.969	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(NC(=O)NNc2ccc(Br)c(F)c2)cc1	771105231	YFKDCPUZHWIWAJ-UHFFFAOYSA-N	423.286	4.721	50	20	HJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)c3ccc(Br)s3)sc2c1	788686953	CECCQGOLRLQACK-TWGQIWQCSA-N	405.298	4.919	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	790591190	JESYLQYKQAXPIK-MOPGFXCFSA-N	421.428	4.560	50	20	HJGD	
Cc1cc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)c(C)n1[C@H](C)c1ccccc1	791273517	WVYWNKSXZZRRIC-QGZVFWFLSA-N	419.529	4.565	50	20	HJGD	
O=C(NNC(=O)c1cc(Cl)ncc1Cl)Nc1ccc(-c2ccccc2)cc1	802038230	ZNDVBTJXCFABQR-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3c(s2)CSCC3)c1C	804358836	ULUXHFLDROBRNH-YBEGLDIGSA-N	400.573	4.697	50	20	HJGD	
CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	805301597	QRWQCDLOFXZRSF-SJORKVTESA-N	416.653	4.996	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(Br)c1	812525581	GHIXENVDGSGMED-JTQLQIEISA-N	412.209	4.586	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2ccccc2SCc2ccco2)cc1C	812721167	LODHPVMAYKNVCH-UHFFFAOYSA-N	410.495	4.814	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC(c3ccc(Br)cc3)C2)o1	814822575	TUIFOOIAAIGNIU-UHFFFAOYSA-N	418.335	4.547	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)c1C	819100163	XTBKLFUJMYVVAG-CNYIURAWSA-N	418.541	4.822	50	20	HJGD	
CCCN(Cc1ccc(F)cc1)C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	914505784	IIMULEGVRGFGJZ-IGSWSUAKSA-N	423.532	4.769	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccncc2)cc1	914692958	DADZKADFNMCUKG-UHFFFAOYSA-N	424.504	4.832	50	20	HJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1	915843097	PUUPBALLUIGBLN-CJMVGXJBSA-N	421.884	4.678	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@H](c1ccccc1)c1cc2ccccc2o1	916228206	XZILIBHBHDBDRC-OAQYLSRUSA-N	419.868	4.820	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccc(F)cc3)no2)c1C	916482700	LZZOVXWLQJXGGR-UNOMPAQXSA-N	422.460	4.745	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c(C)n1CCC(C)C	916844280	YZJGRGYEFCLQOF-DMMSUNFISA-N	413.525	4.821	50	20	HJGD	
CCC1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1	918658717	MGWCRUPSCSVESG-RGEXLXHISA-N	421.932	4.673	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(COc3cccc(C)c3)o2)c1C	1323866380	HYGUCBHQVZZWRC-LELXDKESSA-N	406.486	4.647	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3nnc(-c4ccccc4)o3)o2)c(C)n1CC(C)C	1327902520	VHFRMSPSZXNPHI-YBFXNURJSA-N	414.469	4.925	50	20	HJGD	
COc1cc(Cl)c(Br)cc1C(=O)NNc1ccccc1C(F)(F)F	1339029341	OMTJCONEYDRDGH-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cc(Cl)ccc1F	1788579708	BQTQJULVPNFFIY-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
Cc1cccc(Cl)c1C(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788588893	NVKWRKJABRVTLE-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
C[C@@H](C(=O)Nc1ccc(C2(NC(=O)CO[Si](C)(C)C)CCC2)cc1)c1ccccc1	1792312165	QDJZQWCXMWAFAP-GOSISDBHSA-N	424.617	4.776	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1	5243653	UBFBPHQFIPZYRI-NCPSJORJSA-N	403.265	4.779	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1sc2ccccc2c1Cl	14031589	LVXINBJTFXDWEY-ZDUSSCGKSA-N	424.909	4.936	50	20	HJGD	
N#C/C(=C/c1ccccc1I)c1nc(-c2ccncc2)cs1	72031080	FNRXTPKECSEOIP-ZROIWOOFSA-N	415.259	4.874	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2(c3ccc(F)cc3)CCOCC2)c(C)n1CC(C)C	261449585	QEMRFONEZFYQOC-STZFKDTASA-N	423.532	4.629	50	20	HJGD	
O=C(CCSc1ccccc1Cl)NNC(=O)c1c(Cl)cccc1Cl	727806168	MHHFWUAZFRVWTK-UHFFFAOYSA-N	403.718	4.590	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)C(c1ccccc1)c1ccccc1	727939892	QCRROLKDNKYWJC-HXUWFJFHSA-N	415.537	4.560	50	20	HJGD	
O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NNc1ccccc1[N+](=O)[O-]	730206040	QXOYFPQOHJTXPL-UHFFFAOYSA-N	411.845	4.513	50	20	HJGD	
CC(C)(C)c1ncc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)s1	731479269	XGJWYSYMBCROFD-UHFFFAOYSA-N	422.270	4.979	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cnccc2-n2cccn2)c(C)n1C1CCCCC1	731990292	IYHYWRGXZUEOGV-ZHZULCJRSA-N	414.513	4.737	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)ccc1OCC(F)(F)F	732714730	DKRGORJLBFBFAJ-WJDWOHSUSA-N	410.436	4.724	50	20	HJGD	
CC[C@H](CC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccccc1	734257303	PIXWXBZOHYSORF-CQSZACIVSA-N	415.419	4.584	50	20	HJGD	
CC(C)S(=O)(=O)c1ccccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	736993194	HMGFMPSDHVXKMX-UHFFFAOYSA-N	423.538	4.612	50	20	HJGD	
C[C@@H](Cc1ccccc1Cl)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743557592	UDGMKWVZUYVAJR-INIZCTEOSA-N	422.916	4.974	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1C	743822138	GANIGGJPHXOLMN-DLBZAZTESA-N	408.354	4.732	50	20	HJGD	
Cc1nnc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)o1	744479016	UUOGIQHJXHIVGT-KDVQLTRESA-N	410.861	4.650	50	20	HJGD	
CCOc1cc(C(=O)NNc2ccc(Cl)c(F)c2)ccc1OCc1cccnc1	746698664	KOQAEQYWAREENT-UHFFFAOYSA-N	415.852	4.609	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccccc1C(=O)c1ccc(F)c(F)c1	746700565	KLSXXSJWVTYYMZ-UHFFFAOYSA-N	404.775	4.745	50	20	HJGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1ccccc1Nc1ccccc1	747982701	JCZVZAUPMSQTQX-UHFFFAOYSA-N	422.492	4.528	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1cccc([N+](=O)[O-])c1)c(C)n2C1CCCC1	748006499	SQCLOIFSPLZWPA-UHFFFAOYSA-N	408.458	4.739	50	20	HJGD	
COC(=O)c1cc2c(/C=C(/C#N)C(=O)c3c[nH]c4cc(C)ccc34)ccc(OC)c2o1	748997959	MJXNTXRASJKNFS-DHDCSXOGSA-N	414.417	4.808	50	20	HJGD	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)CCCC[C@H]1CCSS1)CC2	750113372	BYZVBWGYILVCJO-ULQDDVLXSA-N	414.637	4.701	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(-c3ccccc3)no2)c1C	753041461	HUEYSLRICOMYMV-NNIWKIFQSA-N	404.470	4.776	50	20	HJGD	
CSc1ccc2cc(COC(=O)/C(C#N)=C\c3ccc(O)cc3)c(Cl)nc2c1	754548696	FROAFBIWCAIGPM-NVNXTCNLSA-N	410.882	4.966	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(-c3ccc(Cl)cc3Cl)nn2)c1C	755571605	DBVBLYOSOMVBJN-ZSOIEALJSA-N	412.280	4.737	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)c(=O)n(C)c2)c(C)n1C1CCCCC1	760938256	UUXKTUZLQAHJPN-LICLKQGHSA-N	412.921	4.508	50	20	HJGD	
CC1(C)CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCS1	762678364	QEWFXTHWGHPPKB-UHFFFAOYSA-N	404.426	4.637	50	20	HJGD	
CC(C)c1ccc(-n2c(NNC(=O)c3ccoc3Cl)nc3ccccc3c2=O)cc1	765342273	LIDUIELVLMKMFE-UHFFFAOYSA-N	422.872	4.512	50	20	HJGD	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NNc1cc(C#N)cc(Cl)n1	768711572	RROIIKSCXXUKJO-MRVPVSSYSA-N	401.706	4.537	50	20	HJGD	
O=C(NNC(=O)N[C@@H]1CCOC2(CCCCC2)C1)Nc1ccc(-c2ccccc2)cc1	769174433	VHGCWECGYSECEG-OAQYLSRUSA-N	422.529	4.571	50	20	HJGD	
Cc1sc(C(N)=O)cc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	769272848	GYRFQYOZJSFDFM-LICLKQGHSA-N	410.543	4.625	50	20	HJGD	
CCOc1ccc(C(C)(C)C(=O)NNc2ncc(Cl)cc2Cl)cc1OCC	775265854	YTPZFTLPZRDDFD-UHFFFAOYSA-N	412.317	4.607	50	20	HJGD	
C[C@H](NC(=O)COC(=O)CCCC[C@@H]1CCSS1)c1ccc(Cl)cc1	786594797	AMCPOALNZVHGAY-XJKSGUPXSA-N	401.981	4.775	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1O	787144066	DTUWCUZMTOOVTR-XXLSNGBASA-N	421.280	4.501	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccc(Br)cc1	794924293	RLWDZXSOXPVIPB-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)c1ccc2ncccc2c1	794965677	XIUHVXBZSJAIFL-DHDCSXOGSA-N	420.259	4.912	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1nc2ccccc2[nH]1	798113664	PQVNOTLFXIPVQD-UHFFFAOYSA-N	402.241	4.590	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)[C@@H](c1ccccc1)C1CC1	804207828	QAZIFCYFDVMVAA-FQEVSTJZSA-N	412.415	4.799	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1nc2ccccc2cc1Cl	811015949	YZNFPBLVSHKOSB-UHFFFAOYSA-N	404.695	4.970	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2n[nH]cc2c1	817014067	QCBCCJJASPOGDQ-UHFFFAOYSA-N	402.298	4.666	50	20	HJGD	
Cc1nc2cccc(C(=O)NNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2[nH]1	817016039	CQYVCOGVMLZTHG-UHFFFAOYSA-N	402.298	4.666	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(OCC)c2)cc1	915847490	YSMWHHIXLIWFCU-PTNGSMBKSA-N	402.397	4.631	50	20	HJGD	
O=C(NN=Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1F	916291034	JZZKHLYOPPKMGL-UHFFFAOYSA-N	413.792	4.944	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cs1	917562296	ZPLOFBDFXCGEPX-WJDWOHSUSA-N	420.469	4.821	50	20	HJGD	
Cc1ccc(SCC(=O)NNC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)cc1	918205025	FHSXQLQRYQTWGY-SFHVURJKSA-N	421.566	4.576	50	20	HJGD	
O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)NNC(=O)c1ccc(Cl)nc1	918597026	CFQPLYZSKYUXAU-YFHOEESVSA-N	418.305	4.591	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3n2)c(-c2ccccc2)n1	919843689	MHZFGRDQSBZIDH-HKWRFOASSA-N	418.460	4.558	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1C	920012409	FZNQLZWTIHMSHL-LJJBLSSYSA-N	409.530	4.613	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NC[C@H]3CC=CCC3)c3ccccc3n2)cc1	921123344	SOZYLQBMLRYHJU-SFHVURJKSA-N	414.509	4.511	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OC)cc1OC	921258840	CSEINIPUHYQCSP-WUXMJOGZSA-N	407.253	4.565	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CCC1	1785758181	JKKYWSKOSDAXJS-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccoc4c3)cc2)CCC1	1788485470	JUPDHTKQHCZNNH-KRWDZBQOSA-N	411.889	4.593	50	20	HJGD	
CC(C)C(=O)NC1(c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3F)cc2)CCC1	1791140918	GIKKDDDXQZCRHG-SFQUDFHCSA-N	423.463	4.662	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)c(F)c2)n[nH]1	1820495515	KIZABVVCGDZLQT-QAPCUYQASA-N	420.916	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(C)c2)n[nH]1	1820543353	SOAFKDBTBAOVSJ-MJGOQNOKSA-N	416.953	4.740	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1	1820860375	LIPUFTILSAPYET-MJGOQNOKSA-N	414.937	4.610	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)cc(C)cc2C)n[nH]1	1823153392	FQAAYIXDRVVCKF-SJLPKXTDSA-N	416.953	4.658	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828409314	WKHIENFJGMWIAX-SFHVURJKSA-N	414.993	4.544	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CCCCC2)CC1	1830310927	YVVCTAQYWYUQAL-LKWCPCFXSA-N	409.014	4.760	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OCc1ccc(F)cc1	211499999	VZNHFJCFPYQRJZ-UYRXBGFRSA-N	418.472	4.795	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)c1C	213740550	ZLTZESZOQWIBFE-IAFWPLRWSA-N	407.514	4.609	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1CCN(c2ccccc2OC(F)F)C1	303622152	DJEOWBFGAODZMW-GJZGRUSLSA-N	416.559	4.697	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc(OCC#N)cc2)c(C)n1C1CCCCC1	727677518	CMPBLSQUQKGIEF-JCMHNJIXSA-N	416.525	4.736	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c1C	727717964	FPTONCQWWYODKI-QDDTUJKSSA-N	409.534	4.586	50	20	HJGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	727738112	GMGHUGJBXXEUBY-GDXCHIGESA-N	421.932	4.574	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)c1	730595948	BLODDEISCINJQR-LLVKDONJSA-N	414.333	4.637	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1	731487231	GGXFIQQPXCSSET-UHFFFAOYSA-N	419.157	4.525	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)ccc1Cl)c1cc(-c2ccccc2)on1	732054967	PLUZCYZXBFJQEM-UHFFFAOYSA-N	417.852	4.737	50	20	HJGD	
C[C@@H](Oc1ccccc1Br)C(=O)NNc1ccnc2cc(Cl)ccc12	732828060	GNDLVXRWHYSAPA-LLVKDONJSA-N	420.694	4.561	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)/C(=C\c1ccc(F)cc1)c1cccs1	733793406	AEFVGGGOQLNVDP-BOPFTXTBSA-N	400.862	4.542	50	20	HJGD	
O=P(CCN1CC[C@H](Cc2ccc(F)cc2)C1)(c1ccccc1)c1ccccc1	736628962	LPKPLWDZLKVFAK-JOCHJYFZSA-N	407.469	4.704	50	20	HJGD	
O=C(NN=Cc1nc(-c2cccc(Br)c2)c[nH]1)c1cccc2ccccc12	741465736	UQXGOTHANGWDCD-UHFFFAOYSA-N	419.282	4.756	50	20	HJGD	
C[C@@H](C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1C(F)(F)F	742074583	VHDKZGXEOTUYCQ-SNVBAGLBSA-N	410.783	4.656	50	20	HJGD	
Cc1cc(F)ccc1N(Cc1ccco1)S(=O)(=O)c1ccc(CCCl)cc1	745824368	ONABTVISUMWSGN-UHFFFAOYSA-N	407.894	4.904	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)c2)cc1	746889408	NCELJVZLGUTZBL-UHFFFAOYSA-N	422.366	4.998	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1ccccc1Cl)c1ccc2c(c1)CCC2	748319130	YMONPXOXGHQRAT-UHFFFAOYSA-N	411.914	4.899	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H](NC(C)=O)c1cccs1	748669228	FITNPAXSDJJQGP-QGZVFWFLSA-N	401.557	4.652	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cc(F)c(F)cc3F)c3c(C)noc3n2)cc1	748799317	GXPHKONSGAVGBL-UHFFFAOYSA-N	412.371	4.681	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccc(Oc2ccccc2)c(F)c1	749928625	YFUUBMUTQVRMMC-KRWDZBQOSA-N	421.472	4.642	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H]1CCO[C@]2(CCOC2)C1	752982126	WNCBLBRQIPHRJC-SWLSCSKDSA-N	402.385	4.804	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(-c2cccc(F)c2)no1	753171537	WRIQYDRKUCYTSC-UHFFFAOYSA-N	404.239	4.563	50	20	HJGD	
Cc1nc(COc2cccc(C(=O)NNc3ccnc4cc(Cl)ccc34)c2)cs1	761491359	VYERMZONDRXLKU-UHFFFAOYSA-N	424.913	4.989	50	20	HJGD	
Cc1cc(NC(=O)NNC(=O)c2cc(-c3ccccc3)on2)ccc1-c1ccccc1	762942038	QZZLSDQUQPCNNC-UHFFFAOYSA-N	412.449	4.784	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNC(=S)Nc3ccccn3)sc2c1	768583560	CPVJKVSFTSBNRF-UHFFFAOYSA-N	404.948	4.705	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccc(F)cc2)cc1NC(=O)C1CCCCC1	770032887	USTHWHNKTNEQEE-UHFFFAOYSA-N	400.454	4.502	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1	770230017	ZPQCXPSQEICTFJ-UHFFFAOYSA-N	414.764	4.897	50	20	HJGD	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1	771124712	JFNBLDZBGJDNBO-CYBMUJFWSA-N	404.873	4.642	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccc(Br)cc1Cl	771691702	XPRCUAPTNYUODL-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)n1C1CCCCC1	773762177	VWPSGUJNJUXYKQ-AKGOGDBKSA-N	421.541	4.676	50	20	HJGD	
COc1ccc(C2(C(=O)NNc3nc4ccccc4cc3C)CCCC2)cc1OC	777481891	MPSPQBUUVSRAMS-UHFFFAOYSA-N	405.498	4.516	50	20	HJGD	
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NNc1ccnc(F)c1	781362678	OECNOSUTVABSDN-UHFFFAOYSA-N	410.399	4.723	50	20	HJGD	
COc1cc(C)ccc1Oc1ccc(NC(=O)NNc2ncncc2Cl)cc1F	782030269	KBGHRWDZYDQMHY-UHFFFAOYSA-N	417.828	4.527	50	20	HJGD	
Cn1cc(-c2ccc(F)c(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)c2)cn1	782180824	RYDSJQDZESSRMV-UHFFFAOYSA-N	413.667	4.943	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nnc(-c3ccco3)o2)c(C)n1C1CCCCC1	786405879	FAWXGLOXBSIZIF-PDGQHHTCSA-N	420.469	4.904	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OC(F)F)cc2)cc(Cl)c1Br	786428086	WTTRYBXZODSWCF-UHFFFAOYSA-N	405.626	4.769	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12	788188626	BKWGFBFCJDNEQG-UHFFFAOYSA-N	412.465	4.593	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(OCc3cscn3)c2)ccc1Cl	788592918	OYEGLMWYPUMMBI-UHFFFAOYSA-N	404.879	4.533	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1F	789638454	LQTVQDLCFTVAHU-UHFFFAOYSA-N	403.668	4.525	50	20	HJGD	
COc1cc(NNC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)ccc1Cl	790179498	SUBIBHGHODRTGU-UHFFFAOYSA-N	424.810	4.618	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2cccc(F)c2[N+](=O)[O-])c(C)c1	791069246	IBNULSKGTGLALB-UHFFFAOYSA-N	412.446	4.654	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCOc2c(Br)cccc2C1	792528230	GZIRGHWOPKXLPQ-CQSZACIVSA-N	416.406	4.884	50	20	HJGD	
CCOC(=O)c1scnc1/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	794930992	IIBGLTPCXODFDP-QINSGFPZSA-N	419.462	4.658	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1	801176328	UZZVGMDUEVVWJN-UHFFFAOYSA-N	403.198	4.721	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc(Br)c1OC	803085473	QIMDIBFAAFVQMM-UHFFFAOYSA-N	407.308	4.521	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)NNc2nccnc2C2CCC2)cc1F	806230878	ZXDFTACPMSPHKD-UHFFFAOYSA-N	423.448	4.833	50	20	HJGD	
CC(C)(NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1nccs1	807046409	WOGBJVQUWJPVJS-UHFFFAOYSA-N	415.409	4.791	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(Br)ncc1Cl	807181253	OEOXKRRWSGHKAJ-UHFFFAOYSA-N	413.461	4.700	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3cn(C)nc3C(F)F)c3ccccc3n2)cc1	812222489	PBHNRDJBXFHHBQ-UHFFFAOYSA-N	419.435	4.645	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813494839	CJXBBZVRXBEJMV-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
COCC1(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCC1	815054459	HGTSVEMZQKTFSC-UHFFFAOYSA-N	409.442	4.829	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc1	849209392	YEGYNHWJBZETRD-ULJHMMPZSA-N	424.500	4.693	50	20	HJGD	
Cc1csc(Sc2ccc(C(=O)NNc3ccccc3C)cc2[N+](=O)[O-])n1	865493402	FEKLDQCCRWUMNY-UHFFFAOYSA-N	400.485	4.576	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C2(c3ccc(C(C)C)cc3)CCC2)c1C	1321844194	IDYMKCHNBRGOPW-UHFFFAOYSA-N	415.541	4.844	50	20	HJGD	
CCc1ccc(-c2nnc(/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)o2)cc1	1326104748	UICYVVPURBXDRS-MUIAGPEESA-N	402.498	4.961	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)ccc3F)CCC2)cc1	1786446246	AZCNNKDKNWRROH-SFHVURJKSA-N	418.896	4.687	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncccc4c3)cc2)CCC1	1788907738	KRYZGVMSDYZTRF-HXUWFJFHSA-N	421.928	5.000	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1	1789388985	KRVROIIWNVVFFA-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1	1790488799	DFZCPUGHEKVAAQ-QRWLVFNGSA-N	409.357	4.713	50	20	HJGD	
C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)CCBr)CCC3)cc2)CC=CCC1	1791988426	BMSQQZVWGDLTHE-HXUWFJFHSA-N	419.363	4.652	50	20	HJGD	
Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)cc(C)c1O	1792097054	DUIKGYUCBAXMQR-UHFFFAOYSA-N	421.324	4.560	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c(Cl)cc2C)C1	1845533949	LPWQZLLJXCBOLA-AWEZNQCLSA-N	417.764	4.526	50	20	HJGD	
O=C(NNC(=O)C1CC1)c1oc2ccccc2c1CSc1ccc(Cl)cc1	26967146	HTLTVXYHQCTZPZ-UHFFFAOYSA-N	400.887	4.550	50	20	HJGD	
CSc1ccc(C(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	28668807	OGEWUHCYCZCUDF-RGVLZGJSSA-N	410.539	4.816	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1O	57398160	UQDUGPFFYYEDSQ-GHXNOFRVSA-N	421.678	4.752	50	20	HJGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	110652585	FCHQAAKOGXSSBK-VJMCZWTHSA-N	407.278	4.623	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3cccc(Br)c3)c2C(C)C)cc1	195544788	XHVZZZXLUGYJDF-UHFFFAOYSA-N	413.319	4.824	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3nccs3)c2)c1C	210093893	IUDHTSVBASHECP-MBTVCVBTSA-N	420.538	4.982	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1occc1COc1ccccc1	727174009	JWAUZYVEJNGURP-UHFFFAOYSA-N	409.511	4.613	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)C1CCCC1	730169521	VHKCOLPSQHNOJM-SFHVURJKSA-N	406.910	4.650	50	20	HJGD	
C[C@@](O)(CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccccc1	734060285	UGNLTBVNZLTTLK-DOTOQJQBSA-N	418.868	4.935	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c(OC(F)F)c1	734093156	SMJLYOXBPHZWDV-UHFFFAOYSA-N	420.412	4.928	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2F)c(C)n1-c1ccc2c(c1)OCCO2	734482476	BRAXKRVQYIRESY-LDADJPATSA-N	402.425	4.794	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2cnc(C(C)(C)C)s2)cc1	736433707	ZYXSFDLPLKRBPB-LFIBNONCSA-N	405.527	4.789	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)c(C)n1CC(C)C	737726936	IFUWVCIRFKKJED-CVHFWEDTSA-N	420.557	4.532	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ncccc2C(F)(F)F)cnn1-c1ccc(Cl)cc1	740087314	NEUOIGGETRVZJO-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
CC(C)=CCSc1ccccc1C(=O)NNC(=O)CSc1ccc(C)cc1	741207199	KDWZETZJLGPARA-UHFFFAOYSA-N	400.569	4.607	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(C#N)CC2)c(C)n1-c1cccc2ccccc12	747198999	JBWKKQDUOIKHTQ-HZHRSRAPSA-N	408.505	4.917	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1C(=O)NNc1cccc(Br)c1	748033229	NKWSDBRDRXZRQL-UHFFFAOYSA-N	406.280	4.553	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2cc1NC(=O)C1CC1	748726405	DPPJWSDCDGFTSF-UHFFFAOYSA-N	424.844	4.507	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NNc1ccc([N+](=O)[O-])cc1Cl	748726474	GIGCBFWWPUJKPS-UHFFFAOYSA-N	423.281	4.711	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cc(-c2ccccc2)n(-c2ccccc2)n1	748767604	UBGOVDKCNZXHRW-UHFFFAOYSA-N	405.461	4.844	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(F)F)c2ccccc2)c1C	749138711	XYUIIQRBSRLGLZ-VXIUPONVSA-N	401.457	4.518	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)cc1	750113000	OFILRRQXGIBZJI-VGOFMYFVSA-N	416.264	4.690	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c1C	752001704	JQGAAHKJIQLFQF-UOEVCUDDSA-N	409.534	4.730	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C	754568624	NHEDDQVKHPMELN-FMYMSCKOSA-N	423.532	4.988	50	20	HJGD	
O=C(NNC(=O)c1cnc2ccc(F)cc2c1)Nc1ccc(-c2ccccc2)cc1	759789524	YLXGJTQZKQUOEP-UHFFFAOYSA-N	400.413	4.507	50	20	HJGD	
O=C(NN=Cc1cnc(C2CCC2)s1)c1cc(-c2ccco2)nc2ccccc12	760233864	BGQLULITAYMUBM-UHFFFAOYSA-N	402.479	4.983	50	20	HJGD	
N#CCOc1ccc(C(=O)/C=C\c2ccc(OCCBr)c(Cl)c2)cc1	763100771	IXBGTZLXVCBSAB-XFSBKJJWSA-N	420.690	4.912	50	20	HJGD	
O=C1Cc2cc(S(=O)(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)ccc2N1	766549604	WFVTXNGQBAINBK-UHFFFAOYSA-N	414.377	4.639	50	20	HJGD	
CC(=O)N1CCc2c(NC(=O)NNc3c(Cl)cc(Cl)cc3Cl)cccc21	769254715	WKDNKKGFRHTRJN-UHFFFAOYSA-N	413.692	4.704	50	20	HJGD	
CC(C)n1ncc2cc(NC(=O)NNc3ccc(Br)cc3Cl)cnc21	769957661	NPKMQAAWLQIESW-UHFFFAOYSA-N	423.702	4.577	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccc(Oc2cccnc2)cc1	771691384	SYHSHYMXXPRWOV-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
O=C(NNc1ccccn1)c1ccc(Oc2ccc(Br)cc2)c(F)c1	777473068	VUBOXCVCYDXIHK-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
Cc1ccc(C(N)=O)cc1OS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777935721	UIFPFPJIRARXDM-UHFFFAOYSA-N	417.377	4.519	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)cc(C#N)n1C	779299417	FEMITHJNCZVQHM-GOWBIRFASA-N	406.489	4.583	50	20	HJGD	
N#C/C(=C\c1cccn1Cc1ccccc1C#N)C(=O)Nc1cccc(C(F)(F)F)c1	782196972	DNAQGAKRCKVXTC-WOJGMQOQSA-N	420.394	4.973	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1cccc(F)c1F	783462016	XQZHLWHJGJLNQF-UHFFFAOYSA-N	423.331	4.741	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)c(F)c2)cc1	787153854	GJILGCKILUCOJC-WPBJZHHJSA-N	422.378	4.560	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(C)n1C1CCCCC1	793150302	QRJICLVVSODNOZ-UHFFFAOYSA-N	408.329	4.992	50	20	HJGD	
CN(Cc1ccccc1)C1CCC(=NNC(=O)c2cccc(Br)c2)CC1	797786781	LNGYOJWJPQUUDC-UHFFFAOYSA-N	414.347	4.610	50	20	HJGD	
CC[C@H](C)n1ncc(C(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1	802089266	CNOISRAITJMHCQ-JTQLQIEISA-N	410.305	4.505	50	20	HJGD	
COCCOCc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	809147446	PAKDTLBRDDLKIH-MHWRWJLKSA-N	405.281	4.702	50	20	HJGD	
CSc1ccc(C=NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)s1	814724882	GVFIVXODURBYJG-UHFFFAOYSA-N	407.520	4.538	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1	815845893	WZHDIMZNJSSLTA-GVARAGBVSA-N	410.408	4.787	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnc2c(F)ccc(F)c2c1	816073592	ZTCPLJSJTFUMHP-UHFFFAOYSA-N	406.230	4.595	50	20	HJGD	
Cn1c(NNC(=O)c2oc3ccccc3c2COc2ccccc2)nc2ccccc21	816580692	QDAKIGCJACADEH-UHFFFAOYSA-N	412.449	4.655	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016168	IZILEBHRXGNXSN-QMMMGPOBSA-N	409.330	4.966	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](O)CC2)c(C)n1-c1cccc2ccccc12	819323819	GLFMSDVYWOYIPL-YTMAHBJJSA-N	413.521	4.528	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNC(=S)Nc2ccc(C)c(C)c2)cc1	913434361	LLHIJAVIKODMBH-UHFFFAOYSA-N	424.595	4.604	50	20	HJGD	
CN1/C(=C(/C#N)C(=O)CSc2nc(-c3ccccc3)cs2)Nc2ccccc21	914527708	RRDWBYRALPBFNA-HKWRFOASSA-N	404.520	4.768	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1sc2cc(F)ccc2c1Cl	914688535	JXWSJUQRCNEQCF-UHFFFAOYSA-N	412.873	4.851	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C	915856857	FQCWVCMFRNITHN-XSFVSMFZSA-N	418.497	4.979	50	20	HJGD	
Cc1cc(OC(C)C)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	917781937	SEIMIPXBGUXNLI-VZIOXZNFSA-N	421.541	4.925	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)cc1	918645153	BWCYLXGIBMGTBJ-CYVLTUHYSA-N	405.498	4.549	50	20	HJGD	
Cc1c(/C=C(\C#N)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)cc(C#N)n1C	1326095903	OXGAZUGGSSCSOI-YBFXNURJSA-N	408.465	4.727	50	20	HJGD	
O=C(c1cccs1)C1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1	1334728464	LBCSBEISQVMMAQ-UHFFFAOYSA-N	423.518	4.657	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3Cl)CCC2)cc1	1790484538	QBSDDKRHGZZUHF-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1	1799622039	OGAIVCDYRCJWMS-HLPPOEQASA-N	417.764	4.653	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1	1824611245	INABWLYMXRWDQR-CLJKYYQGSA-N	423.022	4.789	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1	1825874595	ALXJWGTWUUTTNC-UXHICEINSA-N	408.970	4.537	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Cl)CC1	1830309175	GVDHIKGJLYLICL-IEBWSBKVSA-N	411.373	4.591	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1oc2ccc(Cl)cc2c1C	7258269	XZNLHVHGCOOIGQ-UHFFFAOYSA-N	401.919	4.897	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(=O)NC1CCCC1	14178492	IMCUXIGTLDBOBD-YHVDPYDOSA-N	406.326	4.524	50	20	HJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OCC	21274471	NPZFRGQBUZMBNU-GZTJUZNOSA-N	424.884	4.613	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(C#N)\C(O)=N\c3nccs3)cc2)cc1	34688785	LNARODVQFTYYRJ-PDGQHHTCSA-N	419.462	4.704	50	20	HJGD	
C=CCc1cc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc(OC)c1O	60790398	XQXOEFQBAHLKQK-MFOYZWKCSA-N	418.415	4.900	50	20	HJGD	
COc1ccccc1OCc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)o1	728716514	QBLIHVDISLXOKO-UHFFFAOYSA-N	406.360	4.643	50	20	HJGD	
CC(=NNC(=O)Cc1csc(C)n1)c1c(F)cccc1O[C@H](C)c1ccccc1	730142748	WVFKWYMOZUWSDR-OAHLLOKOSA-N	411.502	4.814	50	20	HJGD	
COC[C@H]1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	733175337	ROLNLRWPZWCLTG-TYJAPOHBSA-N	411.933	4.540	50	20	HJGD	
CN1CCC[C@H](CN(C)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	735864749	VHATYQJTIDRASJ-SWLSCSKDSA-N	409.905	4.711	50	20	HJGD	
CC[C@H](c1ccncc1)N(CC)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	739660950	NBCRIKOOFKIDNY-JPKOKGFCSA-N	408.546	4.614	50	20	HJGD	
O=C(NNC(=O)N[C@@H](c1ccccc1)C1CCCC1)Nc1ccc(OC(F)F)cc1	745657942	YYLFRBDOJGGTOC-SFHVURJKSA-N	418.444	4.555	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)c3ccc(Cl)cc3F)c2Cl)cc1	747646899	SSVDJCACVJBOGB-UHFFFAOYSA-N	419.287	4.758	50	20	HJGD	
O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NNC(=O)CC1CCCC1	749951407	RVOVZCZTPJJBDA-UHFFFAOYSA-N	407.489	4.634	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCO[C@H](c3ccco3)C2)c(C)n1C1CCCCC1	753649665	UWODKQVPUXRGOZ-CBIIRDDDSA-N	407.514	4.710	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNc1cc(C(F)(F)F)ccc1F	754152514	NAGYWLBZSWTHEX-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NNc1ccccc1C(F)(F)F	755449744	ZVUOITFUMDWMAR-UHFFFAOYSA-N	409.408	4.738	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	756772459	IOZYHPQFYBSXDR-RRFJBIMHSA-N	419.451	4.607	50	20	HJGD	
COc1ccccc1CSc1ccccc1NC(=O)NNC(=O)CC1CCCC1	757732050	CGFNOGNTWLVROT-UHFFFAOYSA-N	413.543	4.721	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1oc(C(C)C)nc1C#N	769742396	RAKVGJYKFSXWTN-UHFFFAOYSA-N	409.515	4.517	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1C	772147578	GHYDRNFPEHCLPU-SOFYTKRASA-N	420.513	4.517	50	20	HJGD	
O=C(NCc1ccc(Cl)nc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772933590	IHTBLVAKKHKXTR-UHFFFAOYSA-N	415.771	4.647	50	20	HJGD	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NNc1ccccc1[N+](=O)[O-]	775514485	XUEIYMZNDNGGJC-UHFFFAOYSA-N	420.429	4.696	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc(OCC2CCOCC2)cc1	775637034	QTKZTBFYCJNMOW-UHFFFAOYSA-N	409.408	4.659	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNc2ncncc2Cl)cc1Cl	782019669	SWKIORABSWSRCW-HNNXBMFYSA-N	413.268	4.587	50	20	HJGD	
O=C(Nc1ccccc1CC(F)(F)F)C(=O)NN(c1ccccc1)c1ccccc1	782820550	BLOMFVIZFLAQAO-UHFFFAOYSA-N	413.399	4.599	50	20	HJGD	
CCCCOc1cccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1	782821550	MMYSSPHAZXSXBW-UHFFFAOYSA-N	403.482	4.674	50	20	HJGD	
C[C@@]1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCCC[C@H]1O	782985728	UEPFHGVDQXSKFM-KGLIPLIRSA-N	409.442	4.564	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(OC2CCCCC2)cc1	783369216	GZSNFEOALHQBDI-UHFFFAOYSA-N	422.312	4.787	50	20	HJGD	
COc1cc(NNC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)ccc1Cl	788605324	OZHFWBUZKBPNHB-HHHXNRCGSA-N	409.939	4.544	50	20	HJGD	
C[C@@H](c1ccccc1)[C@@H](NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C(N)=O	794716071	ATEUJFXJUSEIMR-PGRDOPGGSA-N	412.650	4.956	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCC[C@H]1c1cc[nH]n1	796031617	CXNXBOUESZWOSI-AWEZNQCLSA-N	417.425	4.983	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cc(OC)c(C)c2C)c1C	809190221	DDQVFEXAGCZYMG-BTZNOAQDSA-N	409.530	4.792	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c(C)n1C[C@H]1CCCO1	809290353	POFXJNYWYIRWQP-OZTLEXPXSA-N	423.582	4.862	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2cscc2C(F)(F)F)cc1OC	811634558	SUBIUSBANMOTAT-UHFFFAOYSA-N	400.422	4.718	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1c(Cl)nc(Cl)n1-c1ccccc1	814790606	VBHGNVLEDRMMCW-UHFFFAOYSA-N	423.687	4.605	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1	857546283	RUVYNRHSBOQVFI-LLVKDONJSA-N	400.832	4.594	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N(C[C@@H]1CCOC1)C1CC1	915341186	OJEKWKOSMDPVQK-NHYWBVRUSA-N	408.873	4.939	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCOc2ccc(C(C)C)cc2)c1C	915710741	OAPJRUWUZILSRH-IXOWOOARSA-N	423.557	4.538	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)NCCC)c2)c1C	915870546	QYIZDBIXPUQGDV-KGENOOAVSA-N	406.530	4.591	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-n2cnc3ccccc32)cc1	917599564	XEVBSIYMUQYMOB-CYVLTUHYSA-N	408.461	4.970	50	20	HJGD	
C[C@H](NC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1OC(F)F	918206326	BUSQNPNAYLQBEQ-QMMMGPOBSA-N	424.757	4.743	50	20	HJGD	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1	919760530	PUUZIUXNYHNCSQ-VYZAVGSRSA-N	420.557	4.835	50	20	HJGD	
COc1ccccc1CC(=O)NN=Cc1sc(Nc2ccc(C)cc2)nc1Cl	920375808	GAPTZRRYUQMCKP-UHFFFAOYSA-N	414.918	4.550	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)cc1Cl	1317789334	YUUPAECZADVDKT-UHFFFAOYSA-N	420.900	4.940	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(CCC(N)=O)cc2)c(C)n1C1CCCCC1	1318237471	MLIXPXDJODCJFK-RCCKNPSSSA-N	418.541	4.574	50	20	HJGD	
CC(C)(C(=O)NNc1cncc(Br)c1)c1ccc(Cl)c(Cl)c1	1319530497	XFBFUYNPFQPNCH-UHFFFAOYSA-N	403.107	4.572	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)Cc3cccc(F)c3)cc2)CCC1	1787752107	CBNMXOLFFWFKKR-UHFFFAOYSA-N	416.924	4.767	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3OC)CCC2)cc1	1790488458	QVUGJFNINLQRRM-GOSISDBHSA-N	418.896	4.599	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1O	57537402	PADUGBJVSOSLBL-OQLLNIDSSA-N	415.287	4.661	50	20	HJGD	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	58607813	RBQZHANZWGPJPG-NTMALXAHSA-N	420.321	4.578	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)o1	730216266	NTFPGCSADVJTFW-SFHVURJKSA-N	410.474	4.785	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cc3ccccc3s2)c1C	730505338	CRHUCVUSGYQWFQ-DORSJAEJSA-N	407.539	4.750	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cnn(-c3ccccn3)c2)c1C	739656016	HSCZBTLCHLSDFZ-FYJGNVAPSA-N	422.492	4.529	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cn(-c2ccccc2)nc1-c1ccccc1	740132606	MLQTUFDSNLQJFJ-UHFFFAOYSA-N	423.398	4.710	50	20	HJGD	
CCc1ccc(-c2ccc(C(=O)NNC(=S)Nc3ccc(OC(C)C)cc3)o2)cc1	743821049	UWAKLMKAKYWFNN-UHFFFAOYSA-N	423.538	4.928	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cc1OCCCC#N	747361221	HUQCZLFKUQWXKP-CPNJWEJPSA-N	400.438	4.800	50	20	HJGD	
COc1ccc(Br)cc1CNC(=O)CCCC[C@H]1CCSS1	747427602	CWHLXXKEMAUDCY-AWEZNQCLSA-N	404.395	4.788	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(-c2ccco2)nn1-c1ccccc1	748058325	HXIAQWQJPSUHPW-UHFFFAOYSA-N	423.270	4.652	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(-c2ccc(Cl)cc2)on1	748073592	MSDQNXJJJGCWCT-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNc1ccc(F)cc1Br	748073918	HXSZZTLWBUWRBT-UHFFFAOYSA-N	420.307	4.701	50	20	HJGD	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1ccc(C#N)cc1	748117942	UQRNECCRVSKNFT-CYBMUJFWSA-N	412.902	4.632	50	20	HJGD	
COc1ccccc1-c1nc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cs1	748702567	VSTQEVDWNFIEKE-UHFFFAOYSA-N	423.416	4.517	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)CCc1ccccc1	749743678	AJJMKHJJJQGQPM-UHFFFAOYSA-N	415.324	4.630	50	20	HJGD	
CCOc1ccc([C@@H](NC(=O)NNC(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1	752703469	GTKVMUDJLWBMMS-GOSISDBHSA-N	419.909	4.567	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2ccncn2)ccc1OCCOc1cccc(C)c1	758911521	JMICYNIQTIDUBU-XSFVSMFZSA-N	401.466	4.706	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1Cl	761581874	VUTPNMAEUKGDOG-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)c2ccccc12	765917533	DTFHVEOPPNCEPL-CYBMUJFWSA-N	406.873	4.680	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cccc(Br)c1OC(F)F)c1ccccc1	776725290	ITRMHSWJFUZLDX-DYTQJMLRSA-N	421.241	4.835	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1	782448900	XJXKQEXDHWVTGB-WFSQQTBHSA-N	409.829	4.610	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccc(O)cc23)c(C)n1C[C@@H]1CCCO1	782751202	SEHVIUARQOWTTK-PZDOZLBDSA-N	415.493	4.688	50	20	HJGD	
Cc1cc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)ccc1C(N)=O	782911676	YSJJYXCHGDRLLU-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
C[C@@H]1CCCCN1[C@H](C)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782985161	YRGGWPUDQJCIQD-CHWSQXEVSA-N	422.485	4.885	50	20	HJGD	
Cc1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1C(=O)N(C)C(C)C	786063212	IFKLPQLFEGXUAX-UHFFFAOYSA-N	409.317	4.931	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1csc(COc2ccccc2)n1)c1ccccc1	787142118	SCVOZYWLFYNJDM-DILWRCETSA-N	403.507	4.897	50	20	HJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNc3nnc(-c4ccccn4)s3)cc2C1	788562729	SXFMQVXHXCUZSZ-CYBMUJFWSA-N	413.572	4.570	50	20	HJGD	
COc1cc(NNC(=O)NCc2ccc(OC)c(OC3CCCC3)c2)ccc1Cl	788964641	FXZMJSHLHIZUAB-UHFFFAOYSA-N	419.909	4.505	50	20	HJGD	
O=S(=O)(NC[C@H](CO)CC1CCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	798474110	XZXQUAKAZMBYQA-CYBMUJFWSA-N	423.469	4.811	50	20	HJGD	
CC(C)(C)n1ncnc1CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	800516724	SBKOPOPCDLINJR-ZDUSSCGKSA-N	421.876	4.574	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1csc(-c2ccc(Cl)cc2)c1	816418980	DERXDOFZOQQRCT-UHFFFAOYSA-N	413.915	4.739	50	20	HJGD	
COCCN(Cc1ccco1)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	914744890	RPXGXOHXUPYCQU-RCCKNPSSSA-N	409.530	4.785	50	20	HJGD	
O=C(CC(F)(F)F)NN=Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1	917552090	XZYNQLUCNQRGSX-UHFFFAOYSA-N	420.822	4.654	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3nnc(C(F)F)s3)c2C)cc1	920229180	NQJTUPXZOKPIKN-DHDCSXOGSA-N	413.453	4.737	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)c1C	920876339	HYFZATJRBUZCAP-ZWAQGKOVSA-N	407.489	4.877	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3CC)CCC2)cc1	1786442817	RECQCXNVJBNUNO-IBGZPJMESA-N	413.949	4.799	50	20	HJGD	
C[C@@H](CBr)C(=O)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1	1787615351	WPBXDWOBDRQPOW-HNNXBMFYSA-N	421.379	4.732	50	20	HJGD	
CC(C)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(C)(C)C)s1	1797150956	ADJVYNDAGLNLTI-QDMKHBRRSA-N	411.011	4.562	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)/C(C)=C/c3cccs3)C2)CC1	1804805454	WRDZBXRUMDSBOU-LQATUXICSA-N	423.022	4.790	50	20	HJGD	
CC[C@H](C)[C@@H](C(=O)N1CCC2(CCCN(C(=O)[C@H](F)Cl)C2)CC1)c1ccccc1	1810901322	HFBKEFCSILSEBM-SXLOBPIMSA-N	422.972	4.582	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1	1830304917	FZDPSRAACAYEAH-CABCVRRESA-N	417.402	4.652	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1	7634931	QWNMMJWRMDTNAN-YSKWHIJTSA-N	412.873	4.525	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)CCc2ncc(-c3ccccc3)o2)cc1	14336315	RGWSHTBTYVPDKM-UHFFFAOYSA-N	422.554	4.635	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCc2ccc(-c3ccccc3F)o2)c1	15665118	HAHRMTQSLMDSNG-UHFFFAOYSA-N	411.502	4.653	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1C	24689057	UILOJHHTECCOCE-NGWPFTMJSA-N	416.319	4.621	50	20	HJGD	
O=C(NNC(=O)c1cccnc1Sc1ccccc1)c1ccc(Cl)cc1Cl	25323048	PIADWBRJRWESBX-UHFFFAOYSA-N	418.305	4.614	50	20	HJGD	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1O	139466832	UGCSXULRHYKTGP-ZSOIEALJSA-N	403.265	4.982	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccccc1Oc1ccccc1	725876190	ZUUJJQRTOWZHSH-MRXNPFEDSA-N	414.465	4.665	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)c1ccccc1SCc1cccs1	727717335	LMMMUEMGDOALTG-UHFFFAOYSA-N	410.564	4.824	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)c1C	730293878	WOQBMNOPUCSPKT-VCHYOVAHSA-N	424.888	4.869	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cc2ccsc2[nH]1	731478471	FECXZGSGXNJHPJ-UHFFFAOYSA-N	404.211	4.768	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(N(C)C(C)C)c2)c1C	731585094	MZGUYFLNNXDHEA-UZQMFHLOSA-N	408.546	4.703	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1	731930512	ABEGHYSMYUQPBF-HSZRJFAPSA-N	409.493	4.578	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12	733874290	ZWLIABRTVRXYDZ-CVOKNGKCSA-N	419.956	4.766	50	20	HJGD	
Cc1cccc(C(=O)NNc2nccc3sccc23)c1NC(=O)c1ccccc1F	734248667	ZBYBWLLBHAOZLR-UHFFFAOYSA-N	420.469	4.753	50	20	HJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccc(Br)cc1	740086208	VKPXROPMQSSARJ-UHFFFAOYSA-N	415.209	4.790	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(SC)cc1OC	741165308	KBNXPYSZZIFJIY-WUXMJOGZSA-N	406.866	4.764	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(C(=O)N(CC)CC)c2)c1C	741599018	LYLUYDICGGPUQH-JCMHNJIXSA-N	421.541	4.900	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC[C@@H](C)c2ccc(OC)cc2)c1C	741615850	UYXKTMGRDDYKDC-DLVFWXPZSA-N	423.557	4.538	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(OC(F)F)cc1	741771508	MMSAAURYGZEING-UHFFFAOYSA-N	416.340	4.612	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NNc1ccc(Cl)nc1	745803649	VDZXFONLNNGPSO-LLVKDONJSA-N	405.886	4.693	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2c(OC(F)F)ccc3ccccc23)o1	746490893	RAXQPXLIDKEZDU-UHFFFAOYSA-N	415.440	4.640	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1nc(-c2ccc(Cl)cc2)no1	746770862	DREFSYLKVWLTFN-VIFPVBQESA-N	410.236	4.570	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(OC(F)F)cc2)cc(Cl)c1OCC(C)C	748644814	VBQUGNHVNCINLL-UHFFFAOYSA-N	414.836	4.742	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(CSC)c3ccccc3)s2)cc1	749443722	JFVWERCBRNNSSU-UHFFFAOYSA-N	411.552	4.503	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(F)(F)F	750896043	LZOCJPLUEABZML-CKSIXSTESA-N	410.436	4.628	50	20	HJGD	
COc1cc(C#N)cc(OS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	752829848	BQOOKFWQKJUPHR-UHFFFAOYSA-N	415.361	4.992	50	20	HJGD	
CC1(C)CN(CCNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	752991479	WVDSTPJFJHWBHL-UHFFFAOYSA-N	403.417	4.576	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NNc1ccc(C(C)(C)C)cc1	755350314	ZRSOZWJXNKMYIG-UHFFFAOYSA-N	411.546	4.771	50	20	HJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NN=Cc3cnc([C@@H]4CCCO4)s3)cc2C1	755571516	CCQVDBAMPBZFDY-ZBFHGGJFSA-N	417.600	4.971	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2cc1OC(F)F	762002221	AJDBOPAUEOHJDM-UHFFFAOYSA-N	407.760	4.760	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cncc(N2CCOCC2)c1	762518110	NGMYUDLNQMCFMI-UHFFFAOYSA-N	409.380	4.828	50	20	HJGD	
COc1ccc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	764420616	LXDXVGXXOSXPBA-GCGNNMJHSA-N	408.498	4.504	50	20	HJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1cc(CC)nc(-c2ccccn2)n1	764460921	DBZKDHULFQJDMR-UHFFFAOYSA-N	413.934	4.623	50	20	HJGD	
O=[N+]([O-])c1ccc(CN(CCP(=O)(c2ccccc2)c2ccccc2)C2CC2)cc1	764490346	PVUMVNNAXPGTQF-UHFFFAOYSA-N	420.449	4.573	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)c(OCc2cccnc2)c1	766492606	ZRNXVNJIGDARBN-GRSHGNNSSA-N	417.421	4.650	50	20	HJGD	
Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)[C@H](Br)C(C)(C)C)c(Cl)c1	766748815	BKEGPGPCYQXSBA-RISCZKNCSA-N	404.732	4.637	50	20	HJGD	
COc1cc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)ccc1O	769282384	XKTITPCJUXNLSY-STZFKDTASA-N	421.541	4.890	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(F)cc1OCC(F)(F)F	770029503	AGDSQNRSFNWERX-UHFFFAOYSA-N	400.357	4.525	50	20	HJGD	
Cn1ncc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1Cc1ccccc1	770144577	IOQLTOPLSUJFBA-UHFFFAOYSA-N	409.704	4.728	50	20	HJGD	
Cn1c(CC(=O)NN=Cc2ccc(SCc3ccccc3)cc2)nc2ccccc21	771871006	IVPODWGWEZQURA-UHFFFAOYSA-N	414.534	4.558	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl	773766169	JBRYDCLLLCXMMG-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2ncc(Cl)cc2Cl)c(C)n1CC(C)C	775263368	BTAQJOSADCRZHH-UUASQNMZSA-N	406.317	4.513	50	20	HJGD	
C=CCCOCCCCC(=O)NNc1c(Cl)cc(Br)cc1Cl	775757845	NZCRARQDTJPECE-UHFFFAOYSA-N	410.139	4.962	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1	777464490	WMSGYOIDEUIFOU-MBTVCVBTSA-N	424.426	4.735	50	20	HJGD	
Cc1c(C(=O)NNc2ccc3ccccc3n2)cnn1-c1cccc(C(F)(F)F)c1	777465814	PQLRFOWMTQCLQM-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NNc2nc3ccccc3cc2C)cc1C	777481988	QGTJGZUHDROYQN-UHFFFAOYSA-N	424.508	4.694	50	20	HJGD	
Cc1cc(C(=O)NNc2ccccc2OC(F)(F)F)c(C)n1Cc1ccccc1	779209675	OPUPTJHHGPTPHB-UHFFFAOYSA-N	403.404	4.809	50	20	HJGD	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccccc1OC(F)(F)F	779210894	QLKMFRLSXTZYTR-UHFFFAOYSA-N	415.393	4.751	50	20	HJGD	
N#CC1=CCN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)CC1	780684657	IASAFTNXNHBUNE-UHFFFAOYSA-N	418.294	4.960	50	20	HJGD	
COCc1nc(COC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cs1	782341036	HMUDGFKHYYKKRP-VCHYOVAHSA-N	413.543	4.863	50	20	HJGD	
COc1cc(NNC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)ccc1Cl	788935951	FRUQUFAEOKMWOR-UHFFFAOYSA-N	416.840	4.501	50	20	HJGD	
COc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c(C)c1C	809191414	WBBYDIBRLNKXJM-BYUJNSPJSA-N	421.541	4.763	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc(-c2ccccc2C(F)(F)F)on1	812538333	NMRQXNFCQDKUQM-UHFFFAOYSA-N	413.302	4.719	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1CCC(OC[C@@H]2CCCO2)CC1	814692414	BOABNRZRLJVKDS-UBHUBRDASA-N	421.752	4.844	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3sc4ccc(C#N)cc4c3C)c(C)cc2c1	815986856	KCANTKUBUFUAHT-UHFFFAOYSA-N	402.479	4.704	50	20	HJGD	
C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	844131252	LRTCMBCUFYVPEV-YODGCNRUSA-N	424.482	4.878	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2F)c(C)n1C[C@H]1CCCO1	862960247	CELZYAXKNYRLNB-LPPOOGIUSA-N	401.869	4.622	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)N1CCn2c1nc1ccccc12	915853537	LHIIOCSEXLSIKK-QNGOZBTKSA-N	420.472	4.569	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc(C(=O)O)cc3)n2)c1	916129143	WVZUOKOFPPTUJL-YVLHZVERSA-N	403.463	4.671	50	20	HJGD	
CN(C)c1nc(C=NNC(=O)c2ccc3ccccc3c2)c(Cl)n1-c1ccccc1	917546554	ANTCWZKRLPQKNS-UHFFFAOYSA-N	417.900	4.509	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1nn(-c2ccccc2)c2c1CCC2	918348422	DFRGCSOQQNAGDI-QGZVFWFLSA-N	401.601	4.691	50	20	HJGD	
C=CCNC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	919698736	ZUDJNLPZDTXCJS-DEDYPNTBSA-N	419.529	4.614	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(C)n(-c3cccc(C(C)=O)c3)c2C)n1	920397963	DXBPIRLMNJIYFM-GRSHGNNSSA-N	419.506	4.994	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1cc(Br)c2ccccc2c1	1117755927	WROLJALCJRXEPY-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)o1	1786013606	UXVJCCNMUGRUDF-UHFFFAOYSA-N	402.922	4.530	50	20	HJGD	
Cc1occc1C(=O)Nc1ccc(C2(NC(=O)[C@](C)(Cl)CCl)CCC2)cc1	1787364487	CYEPWARYIMWPKA-LJQANCHMSA-N	409.313	4.572	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)cc2Cl)n[nH]1	1823186809	ONCGTJWNLXPRNM-WMLDXEAASA-N	423.344	4.695	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2F)CC1	1823902298	LBSDYDOMWPSBQP-PMACEKPBSA-N	422.972	4.775	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1	1832556094	OPTXKKNAWCNJSV-FGZHOGPDSA-N	416.993	4.815	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2nccs2)cc1	6430418	GQNZASYKSUWMKM-QGOAFFKASA-N	411.490	4.850	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)Nc2ccccc2C)cs1	7157031	QOOFUPJMMIKNJE-SFQUDFHCSA-N	402.479	4.682	50	20	HJGD	
CCn1c(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)nnc1-c1ccccc1	9485464	UNUSIQXHDUUTBW-HMMYKYKNSA-N	419.535	4.579	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2OC(F)(F)F)c1C	24713070	IEFRMBIUSQOLQD-FBJMNJBLSA-N	421.419	4.757	50	20	HJGD	
CCOc1ccccc1[C@H](CC(=O)NN(c1ccccc1)c1ccccc1)NC(C)=O	728229184	IGVSUMAVJFTCKX-QHCPKHFHSA-N	417.509	4.522	50	20	HJGD	
CC(C)c1ccc(CCC(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1	728829197	BIXWHXNGJDFZHV-UHFFFAOYSA-N	423.738	4.620	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccncc1)C1CCCCC1	732716787	ZQKOGZNCJRYWAG-CAPFRKAQSA-N	411.509	4.632	50	20	HJGD	
C[C@@H]1CCCCN1C[C@@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	733796047	ZKPAGIHYYZHWLM-DNQXCXABSA-N	424.569	4.587	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C(=O)OC)c2cccc(Cl)c2)c1C	733817401	MNULUPSWNARVFL-BUDOKORBSA-N	414.889	4.533	50	20	HJGD	
N#Cc1cccc(OCc2cccc(C(=O)NNc3ccccc3C(F)(F)F)c2)c1	734312476	GQWFLDCPOYYXQJ-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
C[C@H](CNC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(C)(C)C	734696154	NNMYAPUNHKUYPB-BMIGLBTASA-N	410.889	4.643	50	20	HJGD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1	741509870	OBAUNKWFZOHLBG-UHFFFAOYSA-N	401.510	4.784	50	20	HJGD	
C[C@H](SCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)[C@@H](C)O	742460721	YMSFUINMBKGUEU-CABCVRRESA-N	410.461	4.575	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1[N+](=O)[O-]	748628545	CPBMHQLLJBVLRM-UHFFFAOYSA-N	406.364	4.540	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(N2CCOC2=O)ccc1F	748674252	ROSCFZZIOYUDMP-UHFFFAOYSA-N	413.474	4.733	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)CCc1ncc(-c2ccccc2F)o1	748748423	LYWVKKQNRKJPKN-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
Cc1ccccc1[C@@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)C(C)(C)C	751104240	ZPVBIPQPYXSBEB-QGZVFWFLSA-N	420.460	4.720	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2	752813529	UYZXSMYWACZRJO-UHFFFAOYSA-N	423.250	4.703	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	752936459	WSVAWXPQNPKMSE-HNNXBMFYSA-N	413.440	4.605	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@H](CN2CCOCC2)C1	752986529	LHYCJVAYHCNVMZ-ZDUSSCGKSA-N	415.428	4.530	50	20	HJGD	
Cc1noc(C)c1CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	756136534	AJUCJQZQOKOEKU-XDHOZWIPSA-N	407.445	4.531	50	20	HJGD	
CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccncn1	758915351	KCYJXWWPRMTOAV-WUXMJOGZSA-N	423.108	4.855	50	20	HJGD	
C[C@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)C[C@@H](c2ccsc2)O1	759751754	XLOTXZISWVOTLV-CVDCTZTESA-N	411.507	4.524	50	20	HJGD	
C[C@@H]1C[C@@H](CCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	762680146	RRVZCDUDJIFMNG-NEPJUHHUSA-N	416.412	4.604	50	20	HJGD	
O=C(CCC1CCCCC1)NNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	764218345	QHDFQGBPYRHRGN-UHFFFAOYSA-N	421.501	4.548	50	20	HJGD	
O=S(=O)(NC[C@H]1CCCCN1C1CC1)c1ccc(S(F)(F)(F)(F)F)cc1	766206922	JINBMRDIRRTOJG-CYBMUJFWSA-N	420.469	4.639	50	20	HJGD	
CN(Cc1ccccc1NC(=O)[C@@H](Br)C(C)(C)C)C(=O)OC(C)(C)C	767881772	GBVOGPUHFHTQKP-OAHLLOKOSA-N	413.356	4.802	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1sc(N2CCCC2)nc1Cl	768007853	PGZVBFOPQNNKLI-UHFFFAOYSA-N	409.701	4.600	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1	768711161	FJHRADGHDQJXKT-UHFFFAOYSA-N	424.700	4.794	50	20	HJGD	
C[C@H]1CCCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1	775172995	WHYZJDPUQPPDHG-NFBGKYEXSA-N	421.932	4.673	50	20	HJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)s1	775885090	TXYQEBQHFFFNSD-UHFFFAOYSA-N	402.863	4.745	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)C(=O)c1ccc(OC(F)F)cc1	776264792	IXJMAHUOQRUPOF-JYRVWZFOSA-N	410.298	4.579	50	20	HJGD	
O=C(O)Cc1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777633305	PUMGRVRDOZIIDS-UHFFFAOYSA-N	417.377	4.772	50	20	HJGD	
O=C(NN=c1cc[nH]cc1)c1oc2ccccc2c1CSc1ccc(Cl)cc1	780761924	MLJYJNBFQQIYJO-UHFFFAOYSA-N	409.898	4.952	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCc2ncsc2C1	782511257	RHFVMVLJJPORCL-UHFFFAOYSA-N	406.423	4.548	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)O[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1	785352031	SHYLTJPUFAZRCC-DYEBDLIZSA-N	407.429	4.976	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1Cl)S(=O)(=O)c1ccc(Cl)cc1	789130632	PKCDPFVEROYBNV-VCHYOVAHSA-N	418.305	4.577	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1	799589123	VNKUWJBIFVTEMX-QGZVFWFLSA-N	417.513	4.592	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2C)c1C	801071116	XAMZBOQYVNSUOC-BJLUOBIUSA-N	407.514	4.691	50	20	HJGD	
O=C(CCCc1ccccc1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804208304	GWSDHNAGCTZQCM-UHFFFAOYSA-N	400.404	4.628	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1(F)CCCCC1	810668065	SQFLPUKPKOLIIA-UHFFFAOYSA-N	411.389	4.821	50	20	HJGD	
CCCN(Cc1ccc(F)cc1)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	914505997	KEZYGKYPRDLALP-ZFJBLLOBSA-N	411.521	4.797	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1cc2c(s1)CCC2	914692750	WMEODUATVQVQCG-UHFFFAOYSA-N	411.914	4.628	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(C)cc(C)nc3C)c2C)cc1	914721446	AZYBEMGTOZIFDI-FYJGNVAPSA-N	414.509	4.969	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1	915638917	SMGFSUWCQXVEKX-UHFFFAOYSA-N	400.482	4.595	50	20	HJGD	
CC(C)(C)C[C@@H](NC(=O)NNC(=O)c1ccc(Br)s1)c1ccccc1	916518138	JJGSHASDIDOMBT-CYBMUJFWSA-N	424.364	4.632	50	20	HJGD	
CCc1c(C(=O)NNc2cc(C)cc(C)c2)cnn1-c1ccc(Br)cc1	916979538	YGFZXESDTIAAKL-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
CC(C)c1cccc(NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)c1	917570790	LXFXRACCKIMXAM-UHFFFAOYSA-N	419.550	4.874	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC2(c3ccc(F)cc3)CCC2)c1C	920352063	UBHQIMIUXHQARC-IZQLPPHKSA-N	409.505	4.554	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1	920837938	BCTWIKDZBDKWFZ-UHFFFAOYSA-N	409.489	4.522	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2cccc(Br)c2)cc1	932490553	XADJQJUEAKSWNJ-UHFFFAOYSA-N	406.280	4.553	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cccnc1Sc1ccccc1	932535599	UPOOBLZUVPDNKM-UHFFFAOYSA-N	400.301	4.752	50	20	HJGD	
CCS(=O)(=O)c1cccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	1116448412	VLLMWNHFTUWEAF-UHFFFAOYSA-N	422.721	4.589	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1nc(-c2ccc(F)cc2)n2c1CCCCC2	1320803534	SIAZKSKWELMVAJ-UHFFFAOYSA-N	415.472	4.721	50	20	HJGD	
CC(F)(F)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1786456330	ZWZHLHZJPICYEE-UHFFFAOYSA-N	407.288	4.606	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2sccc2s1	1798029423	NJJZKYHGWNZCNE-XJFOESAGSA-N	410.992	4.622	50	20	HJGD	
CC[C@H](C)[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@H](F)Cl)C2)CC1)c1ccccc1	1810901320	HFBKEFCSILSEBM-IHPCNDPISA-N	422.972	4.582	50	20	HJGD	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824008699	AEKBPFBJCSYPKZ-IBGZPJMESA-N	411.030	4.864	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OC(C)C)cc1Cl	6428295	LVHYZQRXPYSCIR-XNTDXEJSSA-N	400.862	4.690	50	20	HJGD	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)C(C)C)c1	44027176	LDDWDJUNILFKQR-SFQUDFHCSA-N	401.466	4.689	50	20	HJGD	
Cc1nc(CN2CCC(C(=O)NN(c3ccccc3)c3ccccc3)CC2)cs1	105447554	AWPJQBWZXNCFFJ-UHFFFAOYSA-N	406.555	4.533	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNC(=O)c1cccc(Cl)c1	195702422	WYCGVTOYDOHOMO-UHFFFAOYSA-N	412.323	4.562	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	205773916	KEUKMJCSPAVIBM-JHDSZEHQSA-N	418.928	4.986	50	20	HJGD	
O=S(=O)(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(CCCCl)cc1	303122258	MQCXQGGHTXSQGK-SFHVURJKSA-N	423.962	4.607	50	20	HJGD	
CCSc1ccc([C@H](C)NC(=O)NNC(=O)CCSc2ccc(F)cc2)cc1	729053982	IHKPGIHLXQEIHD-AWEZNQCLSA-N	421.563	4.512	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cccnc1Nc1cccc(C(F)(F)F)c1	730289314	LKPCHTLTIALHGS-UHFFFAOYSA-N	423.398	4.571	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cc(C(F)(F)F)ccc2F)c1C	733206257	DZVLMOKKOIEZLE-NTUHNPAUSA-N	408.351	4.756	50	20	HJGD	
CCC[C@@H](C(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccccc1	734257616	HUKRXJJHYXCOLL-MRXNPFEDSA-N	415.419	4.584	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](Cn2cccn2)c2ccccc2)c1C	741197426	PZFBUQYPMSYBKQ-VOGGAGISSA-N	415.541	4.566	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)cc2Cl)cc1OC	742346790	PJJSZCZSBBYXTK-GHXNOFRVSA-N	421.678	4.665	50	20	HJGD	
Cc1cc(C)c(NNC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)c(C)c1	743761329	ABFXABCVRRGTNI-LBPRGKRZSA-N	424.570	4.523	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2c(Cl)nc3sccn23)c1C	747647384	SGHLXXAVWKQZJQ-OQLLNIDSSA-N	402.907	4.528	50	20	HJGD	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1ccccc1F	748056267	PDZYHZZDZKXCLV-GFCCVEGCSA-N	405.882	4.899	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1Cl	748704331	ZHKVZAQYVHVILR-UHFFFAOYSA-N	423.616	4.801	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)c1	748785780	SPXPTSAGRKDBKC-UHFFFAOYSA-N	410.232	4.765	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)c(OC)c2)cc1	750894847	BXVPMNQFFULNGR-MHWRWJLKSA-N	404.388	4.744	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1F	751060108	RKOQEVUVUFREOC-UHFFFAOYSA-N	411.233	4.528	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1	756788857	FCCBHAJTQKQLMZ-IBGZPJMESA-N	424.888	4.874	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1CCC(F)(F)F	757009672	DEGKOOOJPCYDAE-UHFFFAOYSA-N	420.218	4.570	50	20	HJGD	
O=C(NN=Cc1cnn(Cc2ccccc2Cl)c1)c1ccc(Cl)cc1Cl	767179838	JCGMHIHYJNGCAA-UHFFFAOYSA-N	407.688	4.656	50	20	HJGD	
O=C(Cc1c[nH]c2cc(Br)ccc12)NNc1cccc(C(F)(F)F)c1	767861543	BSVUKHXOKRUWKH-UHFFFAOYSA-N	412.209	4.635	50	20	HJGD	
C[C@H](CBr)COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1	770315520	FARRKDRSZSHFLN-DNVCBOLYSA-N	401.304	4.568	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc2c(c1)OC1(CCCCC1)O2	775470314	ZGXCGVNEOOKDSZ-UHFFFAOYSA-N	408.380	4.681	50	20	HJGD	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ccc(C(F)(F)F)cn2)c1	775694264	DLZYKSRTMLEYMW-UHFFFAOYSA-N	415.803	4.641	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)c1	777464191	PUFWDMDHTIMWEB-ZDLGFXPLSA-N	410.399	4.804	50	20	HJGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1	782707434	NTZODAADMNTIKS-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
C[C@H]1CCCN([C@H](C)CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782983162	KXKKDDBNLZKWDJ-QWHCGFSZSA-N	422.485	4.743	50	20	HJGD	
Cc1cccc(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	783462486	CXNLHAPWBCWXKU-UHFFFAOYSA-N	401.378	4.771	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(\C#N)C(=O)c3ccc(Cl)s3)cnc12	783713815	AFESUAWENRDQDD-BJMVGYQFSA-N	406.692	4.910	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2noc(-c3ccccc3)n2)c1C	784634573	IOVYWGUNYLZAQH-IZQLPPHKSA-N	404.470	4.776	50	20	HJGD	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)ccc1NC(=O)OC(C)(C)C	785337339	PNAVBMCTLPDGGB-RVDMUPIBSA-N	411.433	4.727	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C\c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl	786043136	QXRXVFSAPAOPSN-ZROIWOOFSA-N	417.840	4.542	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)ccc1OCC(F)(F)F	786044037	DRXRZVSZKZSFPR-VIZOYTHASA-N	424.806	4.513	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc3cccc(C)c3nc2Cl)cc1	787155540	SJLJELREQUDVKJ-UZUMKDMXSA-N	405.885	4.990	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccc(Oc2cccc(Cl)c2)cc1	788563851	UFYRCSJDUBPNIR-UHFFFAOYSA-N	423.885	4.803	50	20	HJGD	
CN(C)c1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)c(C(F)(F)F)c1	794478372	MPYBGALNCOZNPW-UHFFFAOYSA-N	404.219	4.842	50	20	HJGD	
O=C(NNc1ncccc1F)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1	804217716	FDSYBULHWNBZIL-UHFFFAOYSA-N	421.863	4.543	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2ncccc2Cl)cs1	810406012	SPXFHEOUODZTKK-UHFFFAOYSA-N	404.898	4.727	50	20	HJGD	
COc1cc(/C=C\C(=O)NNc2cc(C)ccc2C)ccc1OCc1c(C)noc1C	857830904	GWWWGKUVEYMQEY-LUAWRHEFSA-N	421.497	4.652	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NNc2cccc(C(F)(F)F)c2)c1C	912641772	ONFBEVXBYNUPFG-GZTJUZNOSA-N	404.436	4.974	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)[C@@H](C)c1ccc(C#N)cc1	914509693	XVTUDEBGRZPQDT-QUAIWURQSA-N	418.541	4.701	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OCc2cc3ccccc3o2)c(-c2ccccc2)n1	918501190	VBXICDPJRNBTMS-DEDYPNTBSA-N	422.444	4.860	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccccn2)c(C)n1-c1ccc(Cl)cc1	919985867	NABAJUQDOMJTGC-CPNJWEJPSA-N	404.901	4.708	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNC(=S)Nc3ccc(C)c(C)c3)o2)c(C)c1	920208554	QRSNEZUEHPBTSY-UHFFFAOYSA-N	423.538	4.724	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(C)C)CCC2)cc1	1791365613	TTWKJAZBWQAMEL-SCBHQAGPSA-N	407.352	4.506	50	20	HJGD	
Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)cc1C	1820537116	PTUJAGBNDXYEDU-SFHVURJKSA-N	416.953	4.597	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cnn(-c2ccccc2)c1C(C)C	727172315	XNQLOHJVPCCPKM-UHFFFAOYSA-N	421.570	4.751	50	20	HJGD	
CN1/C(=C(\C#N)C(=O)CSc2nnc(CCC3CCCCC3)o2)Nc2ccccc21	727265825	MMOQUFNOYOKPOQ-LTGZKZEYSA-N	423.542	4.541	50	20	HJGD	
O=C(NN=Cc1sc(Oc2ccccc2)nc1Cl)c1cccc2ncccc12	730146301	PANVBLZFGLOICQ-UHFFFAOYSA-N	408.870	4.901	50	20	HJGD	
O=C(NNC(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1ccccc1	730157859	VOIFKSVRVYFCHK-IBGZPJMESA-N	414.889	4.774	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c1C	738507314	KBQRBIJRIAAGEX-ZDUSSCGKSA-N	409.477	4.519	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cs1	741474253	WNXAXOCYNCJAMN-NTEUORMPSA-N	418.457	4.611	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(Cl)ccc2Cl)c1C	741819663	ORGHWBBQWNIMSX-SXGWCWSVSA-N	407.297	4.709	50	20	HJGD	
C[C@@](O)(CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccco1	743084229	JUMDJTSZDFCWJL-UKRRQHHQSA-N	408.829	4.528	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1	746420099	AQEVJQDWGXIYNB-CYBMUJFWSA-N	408.424	4.543	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2cc(F)c(F)c(F)c2)c(-c2ccc(F)cc2F)n1	746704735	HPYIIKYJEIKEAK-UHFFFAOYSA-N	424.373	4.758	50	20	HJGD	
Cc1noc(C)c1N(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	747878964	ISMBUJCFXJUZOE-ZDLGFXPLSA-N	408.889	4.922	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1	748106153	FUDJAHNJZPXUPT-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)C1(c2ccccc2Cl)CCOCC1	748737038	OAGCAUIRTPAHNW-UHFFFAOYSA-N	423.738	4.602	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1cc2ccccc2o1	749473700	LGFNVAXPAXXCIC-HZPDHXFCSA-N	417.490	4.554	50	20	HJGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	749886316	LBEYFJMJNZNXKA-VZUCSPMQSA-N	417.824	4.993	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1ccc(-c2ncco2)cc1	752770545	BCBYWTPVQGIVID-UHFFFAOYSA-N	401.264	4.815	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2noc(-c3ccc(F)cc3)n2)c(C)n1CC(C)C	752808740	UJIWLCZMFZWUNQ-VXLYETTFSA-N	422.460	4.600	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNc2cc(Cl)ccc2Cl)c1C	752808939	ZIKLSCDAWADQPH-WJHGTXIHSA-N	421.328	4.669	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1	752809871	BXCGZOAHAXIETK-UHFFFAOYSA-N	409.273	4.649	50	20	HJGD	
Cc1ccccc1-n1nc(C)c2cc(C(=O)NNc3ccc(C#N)c(Cl)c3)sc21	753317595	WHUFSFPRIUJKQH-UHFFFAOYSA-N	421.913	4.986	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3cc(C(F)(F)F)ccc3F)c3c2CCC3)cc1	754152468	KEBZBVHLWWFBSJ-UHFFFAOYSA-N	418.394	4.584	50	20	HJGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Nc1ccccc1SCc1ccccc1	755535873	OGTIFGYWOIZCRH-UHFFFAOYSA-N	409.486	4.513	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc(-c3cccs3)c2)c2ccccc2n1	756302550	OHYJBGAJZFWVJJ-UHFFFAOYSA-N	402.479	4.738	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nc(O)c3cc(Br)ccc3n2)cnc1Cl	760212123	UTNWUAIWVDMROX-VZUCSPMQSA-N	401.651	4.519	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(F)cc(C(C)=O)c(F)c2F)c1C	763537524	FXBBPULZEMIOEI-OVCLIPMQSA-N	403.404	4.681	50	20	HJGD	
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)c(Sc2ccccc2)n1	768146982	SOINXTKROJAWMA-UHFFFAOYSA-N	404.417	4.712	50	20	HJGD	
C#CCOc1cccc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	773665049	KZGVKIJFAQSEAT-UHFFFAOYSA-N	420.359	4.933	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)C(=O)c1ccc(OC(F)F)cc1	776264793	IXJMAHUOQRUPOF-MDWZMJQESA-N	410.298	4.579	50	20	HJGD	
O=S(=O)(NCCc1ccc(Cl)nc1)c1cccc(S(F)(F)(F)(F)F)c1	777997081	MNFLZFOAFQNFML-UHFFFAOYSA-N	422.828	4.913	50	20	HJGD	
O=S(=O)(N[C@@H]1CCOC2(CCC2)C1)c1cccc(S(F)(F)(F)(F)F)c1	778002224	IOXUXPIQECZUDL-LLVKDONJSA-N	407.426	4.724	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](c3cccc(C)c3)C2)c1C	784521173	XGKDWCVPZMIBGQ-DXLWNWQMSA-N	405.542	4.544	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H]2CCOc3c(C)cccc32)c1C	789500346	QEGDJDDPTPNALB-GHUUQALQSA-N	408.498	4.595	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F	790022466	FBYCAHJUMMWNOT-LBPRGKRZSA-N	404.230	4.639	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)c(C)n1CC(C)C	791021618	YRWWLACKZJVTPQ-ZZZURREISA-N	412.452	4.569	50	20	HJGD	
Cc1cc(-c2ncccc2NC(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)cs1	792438350	QQUHPWVHJIBAGB-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
O=C(CCCNC(=O)c1cccnc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	792551186	YRXNYSUHHUWJTH-UHFFFAOYSA-N	409.380	4.888	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	797397798	HBXJSCCXVKAWLX-RAXLEYEMSA-N	413.264	4.733	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1c(F)ccc(Br)c1F	799869007	FJVIXXNCQJWOQC-UHFFFAOYSA-N	419.678	4.623	50	20	HJGD	
O=C(CNc1ccccc1F)NN=Cc1sc(Sc2ccccc2)nc1Cl	814713421	OKUJFQVHVUEAHR-UHFFFAOYSA-N	420.922	4.649	50	20	HJGD	
Cc1nc(C(C)C)ccc1COC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	815179522	VKFOFAGHNUWXEI-PKGQOAHCSA-N	421.541	4.761	50	20	HJGD	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNc3cccc(Cl)n3)cc12	817006000	RNHVIWVJPNLKDQ-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2csc(Nc3ccccc3)n2)cc1	913262854	MWSFJSTWRARODU-ATVHPVEESA-N	405.479	4.936	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)cc(OCC)c1OCC	916290575	ZMKMIPQGZPWSPB-IRXDYDNUSA-N	402.535	4.959	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc(C(C)(C)C)cc1	916295341	QPGHVWCLBISIMZ-UHFFFAOYSA-N	421.570	4.559	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cnc(-c3ccccc3)nc2)c(C)n1CC(F)(F)F	917146138	IIPLPWLOXJAHBX-NVMNQCDNSA-N	410.399	4.914	50	20	HJGD	
CN(Cc1ccsc1)C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918306431	WVHXQGLHCVIGRB-HNNXBMFYSA-N	422.881	4.565	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1C(F)(F)F	919920326	SHJGCLXAFGFMNF-CYBMUJFWSA-N	407.436	4.708	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3c[nH]nc3C(C)(C)C)n2)c1	920064743	YQZJTJXHFPQSIW-DHDCSXOGSA-N	405.527	4.993	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc([S@](C)=O)cc3)c2C)cc1	1252189333	BWAYOUDRCQEFNL-JFRFOPCWSA-N	417.534	4.686	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccc(Cl)cc1F	1785943407	GJCYMSHRRXLXKB-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)CCC1	1791533515	NDYSBAVVUMDASH-ACRUOGEOSA-N	410.945	4.942	50	20	HJGD	
CC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCCCCl)[C@@H]1c1cccnc1	1808110050	VERHQFBZSUDRRL-GMAHTHKFSA-N	422.013	4.857	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)[nH]n1	1820850710	ALBOGGJXKONTOF-WBVHZDCISA-N	423.344	4.695	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2Cl)c1C	7459897	IGJAKJXEXSONLM-YAJBTMAUSA-N	413.905	4.646	50	20	HJGD	
Cc1ccc(NC(=O)[C@H](NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1	15473735	SEABFTJGAWNWTE-MCADVSAISA-N	417.553	4.512	50	20	HJGD	
COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CCCC[C@@H]1CCSS1	22218829	ZOUKTQMZMWWZEA-GXTWGEPZSA-N	417.980	4.933	50	20	HJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC	110088426	GNSFPQVAMXASDM-QPEQYQDCSA-N	421.280	4.955	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1	195713815	WPFROCWJOSNMQP-RIYZIHGNSA-N	401.216	4.583	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)NC(c1ccccc1)c1ccccc1	727847038	PHAUWOJXMPYSOT-UHFFFAOYSA-N	414.292	4.727	50	20	HJGD	
N#C/C(=C/c1nc(-c2ccccc2)cs1)C(=O)Nc1nc(-c2ccncc2)cs1	727973776	BDIFCVMQKQKMLM-YBEGLDIGSA-N	415.503	4.874	50	20	HJGD	
CCn1c(C)cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c1C	731478209	GKPRHBWFUVQZRY-UHFFFAOYSA-N	404.230	4.663	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1	732839463	ZRWYSWBKBZUGKS-UHFFFAOYSA-N	412.873	4.693	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccc2Cl)C(C)C)c1C	734340445	AEESHZXTROCVSV-DUBROFONSA-N	413.949	4.825	50	20	HJGD	
COc1ccc(COCCC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	735988472	CHGBIKRDNYZMTE-UHFFFAOYSA-N	403.693	4.705	50	20	HJGD	
O=C(NNc1cccnn1)c1cccc(CSc2cc(Cl)ccc2Cl)c1	736710517	HCIPONIXZNZNPG-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
C[C@@H]1C[C@H]1[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1	743540989	XWPDORZYOLMIGN-IFZYUDKTSA-N	407.901	4.835	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c(C)c1	743765710	ZOXWVTDETZLBBQ-PMACEKPBSA-N	423.557	4.537	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1cc(C)ccc1F)c1cccc(C(F)(F)F)c1	743822255	AWJJYRNBTPVMTF-FMIVXFBMSA-N	411.424	4.574	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c(C)n1C[C@H]1CCCO1	745773124	IZXYJPXHAMRACN-SBSHEFHTSA-N	417.553	4.801	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Cc1cccc2ccccc12)c1ccc(-c2ccncc2)cc1	746424430	CTKHXLVUJZZFOB-GOSISDBHSA-N	424.504	4.536	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2cccc(C#N)c2)cc1	748030410	DLVAUZKOJRARQZ-UHFFFAOYSA-N	411.440	4.615	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)cc1	748045318	HZFBFPKCLGBLGC-UHFFFAOYSA-N	410.481	4.616	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	750037866	CWXBTVQCTVZLOU-LPYMAVHISA-N	419.460	4.563	50	20	HJGD	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@@H](Br)C(C)(C)C	767034941	ZVBKPNWSZGTJSC-QGZVFWFLSA-N	403.320	4.995	50	20	HJGD	
CC(=O)Nc1cc(NC(=O)NNc2ccc(Br)cc2Cl)ccc1C	769958104	PLFBGJZRUFHBNU-UHFFFAOYSA-N	411.687	4.518	50	20	HJGD	
COCc1cccc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	772907407	FMIBWDNHSNELAJ-UHFFFAOYSA-N	424.391	4.745	50	20	HJGD	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	775538839	ZSKYTVPLBWMIAQ-CQSZACIVSA-N	420.435	4.869	50	20	HJGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NNc1ccc2ccccc2n1	777463654	LNBXHOILJIRFMD-UHFFFAOYSA-N	404.495	4.889	50	20	HJGD	
CCC1(C(=O)NNc2cc(Cl)ccc2Cl)CCN(C(=O)c2ccccc2)CC1	781349140	XKJHGKOUAXGQAQ-UHFFFAOYSA-N	420.340	4.769	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	781369027	WSGWJHVCPDKDFQ-UHFFFAOYSA-N	416.412	4.957	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c(C)c1	783369304	NIUWRXBZTVWERR-UHFFFAOYSA-N	424.888	4.534	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)N2CCCC3(CCCC3)C2)c(-c2ccccc2)n1	783848548	UFJZTTZEWXNIPE-PGMHBOJBSA-N	413.525	4.554	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)nc(Cl)c2)c(C)n1C[C@H]1CCCO1	787937241	CMWZFXSWIOVRRK-IJZIWBRISA-N	419.312	4.531	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)NN(C)C)c3)c(F)c2)cc1	788262769	QDBOCVMDWBSMQU-UHFFFAOYSA-N	406.461	4.652	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)c1ccc2ncccc2c1	794884669	KPNNCXFKTRGGBR-MFOYZWKCSA-N	411.442	4.877	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccccc1Oc1ccncc1	800902525	NUJHKBJIRDPACY-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
Cc1sc([C@H](C)NC(=O)NNc2ncccc2F)nc1-c1ccc(Cl)cc1	805195588	WDQWWJJBKJCHIA-JTQLQIEISA-N	405.886	4.693	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12	805383072	MKULAFVRTUQZIG-UHFFFAOYSA-N	421.413	4.580	50	20	HJGD	
CCOc1ccc(NNC(=O)[C@@H](c2cccc(C(F)(F)F)c2)N(CC)CC)cc1	857511957	DBEWTFSKVVMDGP-LJQANCHMSA-N	409.452	4.630	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1C	914501223	CWMZBBAEZXDBHW-OGBFJMLUSA-N	418.541	4.528	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1sccc1Br	915049777	SYOKZAQQOJPCIQ-UHFFFAOYSA-N	419.300	4.837	50	20	HJGD	
CCCOCc1ccccc1CNC(=O)NNc1ncc(C(F)(F)F)cc1Cl	918215662	JYBQOJCSMKZNJB-UHFFFAOYSA-N	416.831	4.507	50	20	HJGD	
CC(C)OCc1c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])oc2ccccc12	918595217	LGUNIEDXAJOTKP-UHFFFAOYSA-N	403.822	4.676	50	20	HJGD	
CCCCc1ccc(NC(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc1	919687300	PPTJTZQXUIXQPR-UHFFFAOYSA-N	416.525	4.638	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F	919919836	DAGANGGBFRMOHT-VIFPVBQESA-N	420.218	4.717	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CCc2ccccc2)C(C)C)c1C	1115834758	QVNCFWREQUEHTH-UDIPQKBFSA-N	407.558	4.699	50	20	HJGD	
C[C@@H](CBr)C(=O)NC1(c2ccc(NC(=O)c3ccsc3)cc2)CCC1	1787282489	LRMWHCBRASFPAF-ZDUSSCGKSA-N	421.360	4.527	50	20	HJGD	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CO[Si](C)(C)C)cc2)CCC1	1789647098	HUBJLHXYGIZKPN-UHFFFAOYSA-N	416.638	4.964	50	20	HJGD	
CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1	1814699243	JNXMQINRHGZASW-WBVHZDCISA-N	410.990	4.883	50	20	HJGD	
O=C(Nc1cccc(NS(=O)(=O)c2ccc(CCCl)cc2)c1)c1ccccc1	3193655	ZXEWTXZVKHHJNA-UHFFFAOYSA-N	414.914	4.521	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccsc2)ccc1OC(=O)c1ccc(F)cc1	55040558	DIGCLDBHXGCTLP-YVLHZVERSA-N	407.422	4.905	50	20	HJGD	
CCn1c(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)nnc1-c1ccco1	213748050	DPPGKHSXCOSOAK-XLCLWTIASA-N	423.523	4.561	50	20	HJGD	
CC(C)Oc1ccc(CC[C@H](C)NC(=O)NNc2ccc(OC(F)F)cc2)cc1	726706961	LMXDKDCDDQVOPD-HNNXBMFYSA-N	407.461	4.723	50	20	HJGD	
N#C/C(=C\c1nccn1CC(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1	728695274	TZIFJTMTFUWFJD-NTCAYCPXSA-N	412.371	4.783	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1csc(-c2ccc(Cl)c(Cl)c2)n1	730287376	IKXDUYUHQCUNCH-UHFFFAOYSA-N	415.305	4.844	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cn3c(C)cccc3n2)c(C)n1C1CCCCC1	731654381	SXQFJVRBZPHVOV-FYJGNVAPSA-N	415.541	4.790	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cccc(COc2cccc(F)c2)c1	734015811	SYYIRMATWRVZPD-UHFFFAOYSA-N	415.262	4.924	50	20	HJGD	
Cc1cccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1C	734412837	NBWWCZUBGHZHKE-KTCTVORESA-N	405.542	4.685	50	20	HJGD	
Cc1ncc2c(n1)CCC[C@H]2NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	734793797	QYGNVMQDNDZXKK-WKDXJHLXSA-N	417.557	4.809	50	20	HJGD	
CC[C@@H](CC(=O)NNC(=S)Nc1cccc(Br)c1)c1ccc(C)cc1	738556524	VSFWNZRGJGBHCF-AWEZNQCLSA-N	420.376	4.659	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	741739650	BFGJCYOTSUREQP-QUYTYNJFSA-N	424.526	4.604	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1cc(F)ccc1[N+](=O)[O-]	742005970	CBZBPSGFZNSJLQ-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
CCCN(C)C[C@H]1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)C1	742880596	LLHHIDRHPRDXDV-CPOKCXMASA-N	410.606	4.707	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)c(C)n1CCC(C)C	742926059	UEAOHLBWERCSJR-JJBLJPBOSA-N	411.550	4.616	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)/C=C\c1cnc(C(C)(C)C)s1	743821121	VXVFZEWFQGPQCF-KHPPLWFESA-N	402.589	4.595	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNc1ccccc1Br	748058721	LCGOZCQIMJFNIZ-UHFFFAOYSA-N	420.694	4.833	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(Cl)ccc1OC(F)F	748173239	DKXJAKKKPVYSPL-UHFFFAOYSA-N	409.589	4.600	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cc(-c2ccccc2)nn1-c1ccccc1	748773403	PITUSTJNSKQTTN-UHFFFAOYSA-N	405.461	4.844	50	20	HJGD	
C[C@H](CCNC(=O)NNC(=O)c1cc2ccccc2o1)c1cccc(C(F)(F)F)c1	749580782	UXRQUEMYLKTFPD-CYBMUJFWSA-N	419.403	4.589	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ncoc1-c1cccc(C(F)(F)F)c1	753423134	PBVQYOYTIFCPNI-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cc(C2CC2)nc2ccc(Cl)cc12	754469518	CQRMQPVTOOCWPE-UHFFFAOYSA-N	415.884	4.980	50	20	HJGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	756308679	CIUFTFYAKSCXQL-UHFFFAOYSA-N	410.543	4.762	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2SC)c1C	756996686	KTHAGJOUDXTHHU-LASGFXPTSA-N	411.571	4.566	50	20	HJGD	
CC(C)(C)c1nnc(CNC(=O)NNc2c(Cl)cc(Cl)cc2Cl)s1	758895944	UFKQBSQDYAEXKS-UHFFFAOYSA-N	408.742	4.622	50	20	HJGD	
CS(=O)(=O)Cc1nc(CNc2cccc(S(F)(F)(F)(F)F)c2)cs1	762531929	WGCQQKISERGWHA-UHFFFAOYSA-N	408.439	4.957	50	20	HJGD	
O=C(NCc1ccc(Cl)o1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762639182	GZEGTVDEQDUTSK-UHFFFAOYSA-N	404.744	4.845	50	20	HJGD	
CC(C)(C)SCCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762654762	YXKVXWQCKGNKNG-UHFFFAOYSA-N	406.442	4.930	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1	769060936	HOTKWAGLLFCLRT-UHFFFAOYSA-N	408.811	4.581	50	20	HJGD	
CCOc1ccc(NC(=O)c2ccc(NC(=O)NNc3ccc(F)cc3)cc2)cc1	769938641	ZUHAKNQBZMHSCZ-UHFFFAOYSA-N	408.433	4.625	50	20	HJGD	
CC[C@H](c1ccccc1)c1nnc(NC(=O)NNc2nc3ccccc3s2)s1	770024977	JUSQIENEMBZEBT-CYBMUJFWSA-N	410.528	4.838	50	20	HJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNc1ccc(Br)c(F)c1	771691232	RNLBIJZRJHPOOY-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
O=S(=O)(N[C@H]1CCO[C@@H](C2CC2)C1)c1cccc(S(F)(F)(F)(F)F)c1	778072203	HOWYIJMEQAUEDL-SMDDNHRTSA-N	407.426	4.580	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1ccc(Oc2ccccn2)cc1	779428259	LIROINRZVUILEH-UHFFFAOYSA-N	404.348	4.921	50	20	HJGD	
CCn1c(SCC(=O)NN=Cc2c(Cl)ccc3cccnc23)nc2ccccc21	781125679	QOBBPQNEVXQJHC-UHFFFAOYSA-N	423.929	4.500	50	20	HJGD	
CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	782117017	GAXMCXVNKMNLJQ-UHFFFAOYSA-N	401.378	5.000	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H]1C1CCOCC1	782984917	WRPJDOQPJAAEKN-HNNXBMFYSA-N	421.453	4.924	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)c1c[nH]c2ccccc12	783701739	ZOKWJRAKKATFRU-GHXNOFRVSA-N	408.248	4.845	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2c(Cl)cc(F)cc2Cl)ccc1C(F)(F)F	784878076	IFDXQEIGLKCPQN-UHFFFAOYSA-N	424.181	4.542	50	20	HJGD	
O=C(NNc1nc2ccccn2n1)c1sc2cc(Cl)cc(Cl)c2c1Cl	791257116	ZGIWMXSBJQPNQM-UHFFFAOYSA-N	412.689	4.661	50	20	HJGD	
C[C@@H]1CC[C@@H](CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1	794261168	SPKHOANAPMMBJS-JQXMUZPYSA-N	421.932	4.577	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(SC(F)(F)F)cc2)cc1	797304639	MNAIPDNCMKSRIT-FOWTUZBSSA-N	406.429	4.573	50	20	HJGD	
Cc1cc(F)c(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1F	804206542	IWGWSMIFCYSHML-UHFFFAOYSA-N	408.330	4.506	50	20	HJGD	
C[C@@H]1CC(=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC[C@H]1C(=O)O	814727709	VKVSDBLNXNTSON-JLTOFOAXSA-N	414.889	4.526	50	20	HJGD	
Cc1c(C(=O)NNc2nccnc2C(C)C)sc2ccc(Br)cc12	816504628	VPCATYXGGWENMN-UHFFFAOYSA-N	405.321	4.643	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)c[nH]1	817016369	RKSPALVHWLHTKP-UHFFFAOYSA-N	416.119	4.572	50	20	HJGD	
CC(C)(C)C(C)(C)CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	817089510	YJSVWDGKVYKOQC-RGEXLXHISA-N	403.530	4.559	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)/C=C/c2ccc3ccccc3n2)cc1	913502161	QCKRIXMVXZDXPJ-FOCLMDBBSA-N	404.539	4.608	50	20	HJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1c[nH]c2ccccc12	914554136	BZCLNRJWYIEMSY-UHFFFAOYSA-N	405.889	4.894	50	20	HJGD	
COc1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)ccc1OC(C)C	914843224	VCVIEOYHKDSHIB-UUYOSTAYSA-N	423.557	4.780	50	20	HJGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1sc(Oc2ccccc2)nc1Cl	915949980	XCIMLBSERCGHHJ-LBPRGKRZSA-N	419.865	4.646	50	20	HJGD	
N#C/C(=C\c1ccccc1I)C(=O)c1c[nH]c2cc(F)ccc12	915990800	QMTTXHNXBYTVNP-KPKJPENVSA-N	416.193	4.701	50	20	HJGD	
Cc1cc(C)c(NNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1	916217237	IQJSARKKXZHNEY-UHFFFAOYSA-N	400.954	4.556	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2c(-c3ccccc3)nc3ccccn23)n1	920399748	XRONFLSRXJVNJP-VBKFSLOCSA-N	400.463	4.699	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(COCC3CC3)c2)c1C	920844355	BAUZGQHQNRMMAA-NVIPHDJISA-N	421.541	4.785	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1	932445287	USMDQOVZCQPTMR-UHFFFAOYSA-N	407.474	4.509	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccnn2Cc2ccsc2)c1C	1115815831	QUKIYKNWLJTLRJ-NDENLUEZSA-N	407.543	4.757	50	20	HJGD	
Cc1cc(Cl)ccc1OCCCc1nnc(-c2c(C)nn(CCCl)c2C)o1	1118133400	DQEMDTVTRFNWBK-UHFFFAOYSA-N	409.317	4.762	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(Br)cn2)c1C	1343992403	BLLFMEBFLTYSAM-LICLKQGHSA-N	416.319	4.713	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2c(OC(F)(F)F)cccc2[nH]1	1351619426	MJTZBEJMTUXRNQ-UHFFFAOYSA-N	419.281	4.722	50	20	HJGD	
CC(C)(C)CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H](O)CCl)cc2)CCC1	1786138080	CGCZPZGNYDMRKF-LJQANCHMSA-N	422.997	4.717	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3sccc3OC)cc2)CCC1	1789932229	DDOQUOBRVFMXBU-HNNXBMFYSA-N	406.935	4.522	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c1C	10403565	WSIWPQUFDQBRBP-VEJKBTLKSA-N	416.319	4.621	50	20	HJGD	
COc1cc(CCC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1	15423031	GDZMKJSNPPNQIB-UHFFFAOYSA-N	403.693	4.740	50	20	HJGD	
CCSc1ccc([C@@H](C)NC(=O)NNC(=O)Cc2ccc3ccccc3c2)cc1	728959143	GFGOZFRPNMJOPH-MRXNPFEDSA-N	407.539	4.586	50	20	HJGD	
C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NNc1ccccc1C(F)(F)F	729517508	OZRYJKVWKFIDJH-MRXNPFEDSA-N	421.463	4.716	50	20	HJGD	
CC(C)(C)c1cc(NC(=O)NNc2ccc(F)cn2)n(-c2cccc(Cl)c2)n1	731362066	OEXGWCFTFRVRFG-UHFFFAOYSA-N	402.861	4.506	50	20	HJGD	
CCc1cc(NNC(=O)c2sc3ccc(F)cc3c2C)nc(-c2ccccn2)n1	734357070	NIMKLJFESSUWPC-UHFFFAOYSA-N	407.474	4.520	50	20	HJGD	
Cc1cccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1C	734412838	NBWWCZUBGHZHKE-QYDDIFPFSA-N	405.542	4.685	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1csc(-c2cccs2)n1	739310290	BULIJXFZCJEQHY-UHFFFAOYSA-N	411.258	4.762	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc(Oc4cnccn4)cc3)nc(O)c2c1C	743058500	IBFYWRVPJSGRQZ-OQLLNIDSSA-N	401.451	4.660	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1	748625630	PEALJOMFYOBQEI-UHFFFAOYSA-N	412.833	4.542	50	20	HJGD	
COc1cccc2c1OCC[C@@H]2NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	751233580	VZDRUJRRAVZPBP-FGGAIWKESA-N	421.541	4.707	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(-c3nnco3)cc2)c1C	754770883	XDQGYDKSCUALPS-BKUYFWCQSA-N	424.460	4.965	50	20	HJGD	
CC(C)Sc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc2ccccc2n1	756422875	PWVJZTPWUIAWOP-UHFFFAOYSA-N	414.918	4.855	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(C2CC2)cc1	757881696	HGRFFXYHYXWPQX-UHFFFAOYSA-N	412.449	4.839	50	20	HJGD	
CC(C)(C)c1cc(NC(=O)NNc2ccccc2C(F)(F)F)n(-c2ccccn2)n1	758056639	RTYNRCGREGVQCE-UHFFFAOYSA-N	418.423	4.732	50	20	HJGD	
CC(C)CC1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1	760942387	SSDRFVIQSOOLQG-JWGURIENSA-N	415.541	4.655	50	20	HJGD	
COC(=O)c1ccccc1-c1ccccc1C(=O)NNc1ccccc1C(F)(F)F	766329015	RPFGPNTVTWTQFF-UHFFFAOYSA-N	414.383	4.916	50	20	HJGD	
Cc1nc(-c2ccccc2NC(=O)NNc2ccc(Br)cc2Cl)no1	769960757	CLUSJJBYTFRFOL-UHFFFAOYSA-N	422.670	4.610	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1nn(-c2ccccc2)cc1OCC(C)C	777478984	BGNVGBKAANSYEO-UHFFFAOYSA-N	415.497	4.521	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(CN(C)Cc2ccccc2)c1	777482152	BMEITRKRYDDHMU-UHFFFAOYSA-N	410.521	4.932	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(Br)cc1Cl	779201077	DSZLICNKRYSCHE-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
CCOC[C@@H]1CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782983485	RFKSCBDHBIAIKW-GFCCVEGCSA-N	409.442	4.781	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC[C@H](C(F)(F)F)C3)s2)cc1	783514242	LGDUYNQAONQCGN-LBPRGKRZSA-N	411.449	4.844	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC([C@@H]3CCCO3)CC2)c(C)n1C1CCCCC1	784644000	SYRGHWJWGGCLHY-FOOJEKODSA-N	409.574	4.935	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ccco3)cc2F)c1C	786062629	BEPYOYJRRBGVEY-UNOMPAQXSA-N	407.445	4.696	50	20	HJGD	
COc1cc(NNC(=O)N[C@H](CC(F)(F)F)c2ccccc2C)ccc1Cl	789251219	QDAMTNNTWSKKGR-OAHLLOKOSA-N	401.816	4.977	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1cccs1	792633871	UYHKVTNEDKWDIP-CPNJWEJPSA-N	411.552	4.739	50	20	HJGD	
CC(C)[C@H](C=NNC(=O)c1c(Cl)cccc1Cl)CNC(=O)OC(C)(C)C	794508985	WMMBYFLATZWBRZ-LBPRGKRZSA-N	402.322	4.506	50	20	HJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)Nc1ccc(SC(F)F)cc1	794867466	YUAUUOZXVPJPGF-QBFSEMIESA-N	414.412	4.872	50	20	HJGD	
O=C(NC[C@@H]1CCCSC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	807519318	DJYVJZNSAKUUQK-JTQLQIEISA-N	404.426	4.542	50	20	HJGD	
N#C/C(=C/c1cn2ccc(Br)cc2n1)c1nc(-c2ccncc2)cs1	811688874	UMENVXGPWCAZER-QPEQYQDCSA-N	408.284	4.679	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nnc(C(F)F)s1	814623171	ZGSJKOPDOIYYLL-UHFFFAOYSA-N	421.273	4.662	50	20	HJGD	
O=C(NN=Cc1ccc2ccc(F)c(F)c2n1)c1ccc(Br)cc1Cl	814837211	LXIKUAJXHATOBK-UHFFFAOYSA-N	424.632	4.693	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(C(C)C)nc2C)c1C	815170014	MSXFJNZVUCVJEA-ZTBJCTOSSA-N	409.530	4.790	50	20	HJGD	
CCOC1(C)CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	815661446	DVXDWFHANCUERR-UHFFFAOYSA-N	416.412	4.700	50	20	HJGD	
CC[C@@H](C)C(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OC)c1	915977236	QPDPMSINXVUQTD-CQSZACIVSA-N	419.319	4.533	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNC(=O)c1ccccc1	916248442	FADFLIRXOKNYOL-UHFFFAOYSA-N	421.715	4.964	50	20	HJGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cc3cccc(C)c3nc2Cl)cc1	916338352	UIEXJIBLFWGGLP-HNNXBMFYSA-N	411.889	4.513	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CCSc1ccc(F)cc1	916345784	FQVOMOZUYCOMSB-UHFFFAOYSA-N	416.909	4.606	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(-c3cc4c(s3)CCC4)o2)c1C	1323956858	PZPQMUIJRLETRG-UHPUNMKFSA-N	408.527	4.977	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2cccc(C(=O)O)c2)c1	1326915182	JSGHTBWEEJFUIK-CIAFOILYSA-N	412.445	4.818	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cc(Cl)ccc1F	1785962482	RXATZQNQHBPGAS-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccnc2ccccc12	1788888185	YGCAPZMFBNNNDE-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Cl)CC1	1830309178	GVDHIKGJLYLICL-MJGOQNOKSA-N	411.373	4.591	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)n1	14514744	HWWBZXOYPTVPCW-UHFFFAOYSA-N	401.495	4.641	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)n1CC(C)C	25511256	HOZFHZXGGNVYRS-HYARGMPZSA-N	418.541	4.543	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cnn(Cc3ccccc3)c2)c(C)n1CC(C)C	210360233	SRAAYNJQVKOWMT-SSDVNMTOSA-N	401.514	4.551	50	20	HJGD	
Cn1cnnc1SCc1ccc(C(=O)NN=C2CCCC[C@H]2c2ccccc2)cc1	725712476	UGUNTELFGVQEGH-FQEVSTJZSA-N	419.554	4.551	50	20	HJGD	
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)o2)c(C)c1	727268881	XTBWOZFLTRKCNM-AWEZNQCLSA-N	417.494	4.676	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccccc1Br	729275798	VEWOBUJYKYUWRZ-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)cc(Cl)c1OC	730435782	CBFLVOGUVQSXQF-YHYXMXQVSA-N	412.692	4.971	50	20	HJGD	
COc1ccccc1[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccccc1	731036525	ADJLWTJXUGKGIX-JOCHJYFZSA-N	415.942	4.544	50	20	HJGD	
CSCc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1	731589093	SUZDOYPDRLYRDQ-ZRELAVNMSA-N	409.555	4.693	50	20	HJGD	
O=C(NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)N[C@@H]1CC=CCC1	737064745	VZFNDBOPKVDVTB-GOSISDBHSA-N	415.946	4.685	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)c1	738561641	WQWBCDNBHYMCHO-GFCCVEGCSA-N	413.440	4.664	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1ccc(Oc2cccnc2)cc1	739315090	VZYLUDUNTDSNOZ-UHFFFAOYSA-N	415.199	4.764	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC(=O)c1ccc2ccccc2n1	740760458	UWIOJZWDLYYCMF-UHFFFAOYSA-N	417.900	4.514	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1C#N	741758627	WGAJVJKFPDJHMJ-UHFFFAOYSA-N	419.868	4.563	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCOc2ccccc21	742005307	SVWGJLRQEFLSEH-LLVKDONJSA-N	416.102	4.765	50	20	HJGD	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)NNC(=O)c2ccccc2C)cc1	743512139	RHLVGINGRBDOMK-GOSISDBHSA-N	417.509	4.718	50	20	HJGD	
CCc1nnc(-c2cccc(NC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)c2)o1	743784648	CNXTVQYKNZRWJH-JAIQZWGSSA-N	417.513	4.919	50	20	HJGD	
O=C(NNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)c1ccc2ccccc2c1	744280015	AMDASKSXKQLESW-UHFFFAOYSA-N	412.493	4.555	50	20	HJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)ccc1OC	747033058	BUHWAPWPKFCOKD-VCHYOVAHSA-N	422.481	4.562	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1C	747444019	VVHDJSDEJPJTKU-ZWAQGKOVSA-N	424.614	4.512	50	20	HJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	750044444	VDMQCLWYUDKHSK-GTNUZRKBSA-N	419.416	4.528	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)c1	752520068	MSVRWHFTMDMTDW-UHFFFAOYSA-N	404.539	4.669	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(C)n(CC(F)(F)F)c1C	753176540	VJOTZITVIBKARQ-UHFFFAOYSA-N	418.257	4.749	50	20	HJGD	
CC[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@H](c1ccc(C)cc1)n1cncn1	756156592	KSOWPGODFKJDRO-DYXWJJEUSA-N	418.632	4.785	50	20	HJGD	
O=S(=O)(NCC1(CCO)CCCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	758517648	NMZAIAUGAOTWHS-UHFFFAOYSA-N	423.469	4.955	50	20	HJGD	
COc1cc(C)ccc1CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762675614	WDMFDDXQWMAVSZ-UHFFFAOYSA-N	424.391	4.916	50	20	HJGD	
CC(CC1CCC1)=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1	764762061	KVWJIGZGCMSZSY-UHFFFAOYSA-N	420.629	4.913	50	20	HJGD	
C[C@H](OC(=O)[C@H](Br)C(C)(C)C)C(=O)Nc1cc(Cl)ccc1Cl	766749530	MDZXRLOACMGGCF-UFBFGSQYSA-N	411.123	4.673	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1	767935774	XFWKIFWENDFCLC-KRWDZBQOSA-N	418.335	4.756	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1ccc(-n2ncc3ccccc32)cc1Cl	768089770	BETKTBFUYDTBBS-UHFFFAOYSA-N	413.868	4.984	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ccc(F)cc2Br)cc1-c1ncco1	770072936	CAGNZEZKPAYNIC-UHFFFAOYSA-N	405.227	4.700	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1ccc(-c2ccc(Cl)cc2)s1	771540824	JULXMQUETJXKRN-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
CCCN(C(=O)c1ccccc1NC(=O)NNc1ccc(C(F)(F)F)cn1)C(C)C	775679689	BVVTYSPDQDXERC-UHFFFAOYSA-N	423.439	4.510	50	20	HJGD	
O=[N+]([O-])c1ccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	777898813	OCJBCSCEPZJHCM-UHFFFAOYSA-N	418.365	4.731	50	20	HJGD	
Cc1c(-c2ccccc2)oc2c(C(=O)NNc3cc(Cl)ccn3)cccc2c1=O	778453530	MWLCMFQZALWLBX-UHFFFAOYSA-N	405.841	4.574	50	20	HJGD	
CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1C	782982038	UKJDGXHFSXYUJV-QWHCGFSZSA-N	422.485	4.837	50	20	HJGD	
Cc1nccn1CCCCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982687	ZCPLQCQXXPBSQO-UHFFFAOYSA-N	419.441	4.608	50	20	HJGD	
C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NNc3ccccc3Cl)c2)C1	784776359	BHPASORWSPJIAZ-CRAIPNDOSA-N	415.921	4.517	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2oc3ccccc3c2C)c1C	791448771	IWRPSAXIXORIMY-NNIWKIFQSA-N	405.498	4.590	50	20	HJGD	
Cc1nn(-c2ccccc2)c2ncc(C(=O)NNc3cc(Cl)cc(Cl)c3)cc12	791730662	DSSAYLBSSIVCMB-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)C1CCOCC1	794953962	PYJKOPXTUPCWKU-RGEXLXHISA-N	401.441	4.581	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2	808247079	QTFKEDGXDMMTCD-UHFFFAOYSA-N	407.128	4.544	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2ccc(Br)cc2F)cc1OC	916347831	ONEIPCDLYRVWPK-UHFFFAOYSA-N	423.282	4.540	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1	916518273	OZJKRLLIDAASSC-KRWDZBQOSA-N	421.900	4.609	50	20	HJGD	
N#C/C(C(=O)Nc1nc(-c2ccccc2Cl)cs1)=C1/COc2ccc(F)cc21	918155702	IVIUERGPKNPDSK-CCEZHUSRSA-N	411.845	4.911	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nnc(C(F)F)s2)c(C)n1-c1ccc(F)cc1	920229004	INTKMTRYIOCUHA-MDWZMJQESA-N	417.416	4.568	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1820858762	STKRPYYNRUSXDS-OFHUKCQUSA-N	406.958	4.556	50	20	HJGD	
O=C(COCc1nc2ccccc2s1)NNc1c(Cl)cc(Cl)cc1Cl	20898900	LELQXKBGZPQLAY-UHFFFAOYSA-N	416.717	4.916	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)Nc1ccc(C(=O)O)cc1	23701998	FGPWLYYHQKBKCZ-RVDMUPIBSA-N	419.418	4.567	50	20	HJGD	
Cc1cc(OC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)ccc1[N+](=O)[O-]	112607966	GKDFRWXGRCPPEV-GOSISDBHSA-N	418.449	4.514	50	20	HJGD	
CC(C)(C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)c1cccc(C(F)(F)F)c1	303490927	KTKYLCOUXOQVQT-UHFFFAOYSA-N	424.810	4.830	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)Cc2ccccc2)c1C	303677338	LJQAPYFFPNAKOL-AYBNGVQBSA-N	407.558	4.604	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	727741243	KXBXLNIXCXVHOL-MOPGFXCFSA-N	419.550	4.516	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C1(c2cccc(Br)c2)CC1	729516506	YJGNDVHMDSCAIA-UHFFFAOYSA-N	416.706	4.826	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ncc[nH]2)c(C)n1-c1cccc2ccccc12	732092745	AWTMDQCWCYGKSO-STZFKDTASA-N	409.493	4.536	50	20	HJGD	
Cc1nc(-c2ccc([C@@H](C)NC(=O)NNc3cc(F)c(F)cc3F)cc2)cs1	734658977	YAIQFIYCTSNRKT-SNVBAGLBSA-N	406.433	4.923	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC2(C(F)(F)F)CCCCC2)c1C	735249145	NKRQNLUIOLDNSJ-CLXYIWAZSA-N	411.468	4.601	50	20	HJGD	
Cc1cccc(C(C)(C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	736044590	CBRCEYBKQUWHML-YJADQXIJSA-N	405.542	4.551	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1[N+](=O)[O-]	739426355	KMFXVHBUJKODBD-WUXMJOGZSA-N	406.225	4.764	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)cc1	741717851	GEXFVDQYDHPDGT-NBVRZTHBSA-N	415.449	4.827	50	20	HJGD	
CCc1ccc([C@H](NC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)C(C)C)cc1	745340338	DKWRCVFKJWLNRK-GOSISDBHSA-N	420.460	4.583	50	20	HJGD	
C[C@H]1CCN(C)c2ccccc2N1CCP(=O)(c1ccccc1)c1ccccc1	746474021	ZTTIKDDOAUTZKG-NRFANRHFSA-N	404.494	4.736	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(Br)ccc1Cl	748066347	SPEFWTGFSGQPRE-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)NNc2cc(C)ccc2F)cc1	748784992	IRLAWHBLYAFEKY-UHFFFAOYSA-N	423.513	4.930	50	20	HJGD	
O=C(CCc1ccccc1)NN=Cc1csc(-c2cccc(Br)c2)n1	749744638	DZEKLDKHQQDXPH-UHFFFAOYSA-N	414.328	4.656	50	20	HJGD	
C[C@@H](CS(C)(=O)=O)N(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	752986905	NBKNFDBEBBPLBC-JTQLQIEISA-N	422.441	4.773	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccccc1C(=O)c1ccc(F)cc1	754152794	ZMSBPRKGLFKICS-UHFFFAOYSA-N	420.337	4.972	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NN=Cc2cnc([C@H]3CCCO3)s2)cc1	755530874	BWFDVNKFYLVPQM-LJQANCHMSA-N	401.532	4.718	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)Cc3ccc4ccccc4c3)cc2)cs1	755556653	IZEFIBCSEQSKCN-UHFFFAOYSA-N	416.506	4.667	50	20	HJGD	
C[C@H](C#N)CSc1ccccc1NC(=O)NNC(=O)c1cccc2ccccc12	756479888	ORPUQGZGKNRUKQ-OAHLLOKOSA-N	404.495	4.558	50	20	HJGD	
Cc1nncn1-c1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	765311420	BXKBXKKOXSWTRW-MTJSOVHGSA-N	416.529	4.586	50	20	HJGD	
COc1cc(C)c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)cc1OC	765613123	HKJIKHIFWPJNJT-NTUHNPAUSA-N	403.232	4.747	50	20	HJGD	
Cc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1NC(=O)CCN(C)C	767294606	FFVDKEZOWAXCDB-KRWDZBQOSA-N	409.621	4.538	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccccc2C(F)(F)F)c1C	768750631	ZCHPTLAKQBKJGH-RPJLVFAOSA-N	420.431	4.982	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1ccc(-c2nccs2)cc1	769932150	RLOITLLEHLZHGM-UHFFFAOYSA-N	407.268	4.860	50	20	HJGD	
CC1CCN(C(=O)c2ccc(NC(=O)NNc3ccccc3C(F)(F)F)cc2)CC1	769976116	KVHYWFIWRRZJGB-UHFFFAOYSA-N	420.435	4.726	50	20	HJGD	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NNc2ccc(F)cc2)cc1	769977464	OGFSCCCUZBDMJF-UHFFFAOYSA-N	412.852	4.904	50	20	HJGD	
Cc1cc(Oc2ncccn2)ccc1NC(=O)NNc1ccccc1C(F)(F)F	769983552	OSIAXKLSJARZMI-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NNc1c(C)cccc1F	771702142	SVJYHGKVSMLRAM-UHFFFAOYSA-N	423.872	4.900	50	20	HJGD	
CCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	772968862	SNFOGOHCDPDQFR-ZDUSSCGKSA-N	407.426	4.866	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc2ccccc2cc1NC(=O)C1CC1	775264915	VKMMZRUWQBFMPQ-UHFFFAOYSA-N	415.280	4.647	50	20	HJGD	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)cc1	775266100	DWWKYJIXTHWJRL-UHFFFAOYSA-N	417.227	4.948	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)cc(Br)c1O	775639101	LHHCLCGWNLXKJQ-WDZFZDKYSA-N	424.197	4.555	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc3ccccc3n2)cnn1-c1cccc(Cl)c1	777467946	MWPLUYVLYSXWAZ-UHFFFAOYSA-N	405.889	4.954	50	20	HJGD	
Cc1nc(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cs1	777863438	UUAMCBARGAMCOD-UHFFFAOYSA-N	408.439	4.630	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	778450194	WINCJAFNIBWSFR-UHFFFAOYSA-N	409.902	4.661	50	20	HJGD	
CCOc1c(Cl)cccc1C=NNC(=O)c1ccc(Br)cc1Cl	782229923	HPXPUISPPAZHKW-UHFFFAOYSA-N	416.102	4.919	50	20	HJGD	
CC[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CCOCC1	782979651	JAPBDEWXOSSTHQ-AWEZNQCLSA-N	409.442	4.828	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)N2CCCC3(CCCC3)C2)c(-c2ccccc2)n1	783848541	UFJZTTZEWXNIPE-LTGZKZEYSA-N	413.525	4.554	50	20	HJGD	
CCc1oc2ccccc2c1CN(C)C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	790446401	FEZVGWKLMUEENM-ZHZULCJRSA-N	419.525	4.626	50	20	HJGD	
COc1cccc(Cn2ccc3ccc(NC(=O)NNc4ncccc4C)cc32)c1	792344599	OZZUHRMTQFPIQS-UHFFFAOYSA-N	401.470	4.550	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	794695505	PBBMPSQNPCNRHO-PTNGSMBKSA-N	401.857	4.809	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1ccccc1[N+](=O)[O-]	797701657	YIMJJYBRQKMZIE-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
CC(C)c1ncc(C(=O)NNc2c(Br)cccc2Br)s1	801504624	QZUBPSLNSFUZGN-UHFFFAOYSA-N	419.142	4.548	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1	817879683	NTQXHYGDWSJZPY-UHFFFAOYSA-N	403.198	4.624	50	20	HJGD	
CCn1c(SCC(=O)NN(c2ccccc2)c2ccccc2)nnc1-c1ccco1	912584439	CLPOZJSUENBCHY-UHFFFAOYSA-N	419.510	4.520	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)c(C)n1CCC(C)C	914747128	RIILTVLVPUJDSU-GRSHGNNSSA-N	422.504	4.721	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3cc(F)ccc3F)cc2)cc1	915938041	PJRISUYJFIOEIJ-UHFFFAOYSA-N	410.420	4.706	50	20	HJGD	
O=C(NN=Cc1csc(-c2cccc(Br)c2)n1)NC1CCCCC1	916299186	BEFBXMFPOZYVRD-UHFFFAOYSA-N	407.337	4.538	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2)C2CCCC2)c1C	916496512	GQISQFQPBRVCHJ-DFOZZHOTSA-N	405.542	4.706	50	20	HJGD	
O=C(NN=Cc1csc([N+](=O)[O-])c1)c1cc(-c2ccc(F)cc2)nc2ccccc12	917534009	SEGRKOVCPLOETJ-UHFFFAOYSA-N	420.425	4.775	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(COC3CCCCC3)c2)cc(C#N)n1C	921167875	IZGAZFHYWGVDHI-NDENLUEZSA-N	402.498	4.600	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1cn[nH]c1-c1ccc(Cl)cc1	1317711132	BRXFZKPXEQLYAU-UHFFFAOYSA-N	405.310	4.626	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)oc1C	1348212006	AHQVZSYKLDHHBE-GIJQJNRQSA-N	408.889	4.576	50	20	HJGD	
Cc1cccc(Cl)c1C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1790682810	GJAFSIONVPJQQR-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
Cc1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c1	1824672015	GIWVYZCPIAMLOU-KRWDZBQOSA-N	411.011	4.555	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1nccs1	7166905	JXXWTHVFTDHAQL-FMIVXFBMSA-N	400.257	4.711	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(C2SCCS2)cc1	7258138	ZRNGIQHOAVBLBG-UHFFFAOYSA-N	417.625	4.667	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)c1C	10409745	WQPOTAIETSEVHI-FBJMNJBLSA-N	405.420	4.877	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(F)cc1	28941414	BLQDKEUPZIOETB-QGOAFFKASA-N	416.408	4.599	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2cccc(C#N)c2)c1	44023615	YRXLAIQIYMPDGS-FYJGNVAPSA-N	409.445	4.692	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cc(C)c(OC(F)F)c(C)c1	212016975	YTQWSEARMUUPJD-SXGWCWSVSA-N	416.424	4.816	50	20	HJGD	
Cc1c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]	301196929	KQGQNLIZFOQHAD-UHFFFAOYSA-N	419.608	4.529	50	20	HJGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1ccc(-c2cccc(Br)c2)o1	302908376	GSQGRQNJQDSFTM-FOWTUZBSSA-N	417.303	4.547	50	20	HJGD	
Cc1ccc(Cl)c(NC(=S)NNC(=O)Cc2ccc(Cl)cc2)c1Cl	728442764	HFOPSJJGGQHUFG-UHFFFAOYSA-N	402.734	4.516	50	20	HJGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)c2ccc(Br)cc2Cl)cc1	728782695	SCPVCIBTRCJKLI-UHFFFAOYSA-N	417.694	4.565	50	20	HJGD	
COc1ccc(O)c([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	729534865	DZWNVQMYPNIFLF-RONKMWSCSA-N	409.530	4.650	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1cc(C(F)(F)F)ccc1F	733203715	XEJDNUXXORJSEO-UHFFFAOYSA-N	407.392	4.661	50	20	HJGD	
CCOC[C@H]1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)C1	733763496	XPGDJFLOICUKSK-VSIOZEBNSA-N	405.542	4.585	50	20	HJGD	
C[C@](O)(CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccccc1	734060290	UGNLTBVNZLTTLK-WBVHZDCISA-N	418.868	4.935	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC[C@H]2c2ncon2)c(C)n1C1CCCCC1	737615167	GDVQCQBGGHMVGM-YMFQVDJJSA-N	407.518	4.654	50	20	HJGD	
CCC(=NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)[C@@H]1CCOC1	741837844	ORCPJMUKDPCWSR-GOSISDBHSA-N	400.906	4.760	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1cc(F)c(F)c(F)c1	742005412	WBMIZURBXPIJHR-UHFFFAOYSA-N	414.008	4.930	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(Cl)ccc2OC[C@H]2CCCO2)n1	743057958	XHQCXMYLOAXBMF-FCONWMNKSA-N	418.902	4.595	50	20	HJGD	
O=C(NNC(=O)c1ccc(C(F)F)cc1)Nc1ccc(Br)cc1Cl	743831098	IFMNBWAJHPZSKR-UHFFFAOYSA-N	418.625	4.507	50	20	HJGD	
Cc1cc(C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(C)n1-c1nccs1	744743270	SXDZMARHRNKKEL-QGZVFWFLSA-N	418.522	4.621	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc(C#N)n1C	746291007	HCDNLHIRIOGFAU-BOPFTXTBSA-N	424.957	4.549	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2cccc(CN3CCCCCC3)c2)cc1	747188443	KCBTXQVZGFLYIO-JJIBRWJFSA-N	417.553	4.685	50	20	HJGD	
O=C(NNC(=O)c1cccc2cccnc12)N[C@H](CCc1ccccc1)c1ccccc1	747463874	YWHNTYYNXCAAMV-HSZRJFAPSA-N	424.504	4.553	50	20	HJGD	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NNc1ccc(C)cc1	749194272	VBKQPOHFNUXKQW-UHFFFAOYSA-N	405.882	4.761	50	20	HJGD	
C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NNc1ccc(C#N)c(Cl)c1	753314803	BIWNJOBEXAGLKV-CQSZACIVSA-N	406.873	4.513	50	20	HJGD	
CSc1ccc2cc(COC(=O)/C(C#N)=C/c3ccc(O)cc3)c(Cl)nc2c1	754548698	FROAFBIWCAIGPM-OVCLIPMQSA-N	410.882	4.966	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)F)c(F)c1)C(=O)Nc1nc2ccccc2nc1Cl	754681208	ZWSJZHIJCZJMMY-YRNVUSSQSA-N	418.762	4.569	50	20	HJGD	
O=C(NN=Cc1cnc([C@H]2CCCO2)s1)c1ccc(-c2ccc(F)cc2)s1	755598931	LZUGRGLCZPIKOA-OAHLLOKOSA-N	401.488	4.626	50	20	HJGD	
CSCc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	759352189	OJKNURUJODBIHJ-FVIRYLMMSA-N	409.555	4.693	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC1=NNC(=O)c1cc2ccccc2o1	762448493	IECYJIUYPAJNEX-AEFFLSMTSA-N	411.502	4.718	50	20	HJGD	
N#C/C(=C\c1c(Cl)nc2ccccn12)c1ccc([N+](=O)[O-])cc1Br	765613526	NICZAMQPLXQJCQ-JXMROGBWSA-N	403.623	4.723	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)NCCC2=CCCCCC2)c(-c2ccccc2)n1	768553216	SVYWRXUXZBIARR-OQKWZONESA-N	413.525	4.768	50	20	HJGD	
COc1cc(/C(C#N)=C\c2c(C)nn(Cc3ccc(C)cc3)c2C)ccc1[N+](=O)[O-]	774560516	LHHKJPPHJTXSFQ-JAIQZWGSSA-N	402.454	4.838	50	20	HJGD	
CCc1ccc(-c2nc(CC(=O)NNc3ncc(Cl)cc3Cl)cs2)cc1	775275991	UZGSQSOHNQDSSR-UHFFFAOYSA-N	407.326	4.760	50	20	HJGD	
C[C@@H]1C[C@@H](CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO1	778065037	QUMDWBVIROSTJE-NEPJUHHUSA-N	409.442	4.828	50	20	HJGD	
Cc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782979163	HUYIPEKAGVTKLX-HNNXBMFYSA-N	417.421	4.664	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2Cl)cc1	787184477	SLKGICZZPBQMDZ-LUJRCDHRSA-N	420.900	4.627	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1cc(Cl)ccc1N1CCCCC1	790484313	XDAHQANTGGRREQ-UHFFFAOYSA-N	407.833	4.526	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1	792212093	LGLCIOZJFFFJNW-UHFFFAOYSA-N	407.421	4.605	50	20	HJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1	794874674	MYSQMVGWQIYMLV-WJDWOHSUSA-N	411.454	4.566	50	20	HJGD	
Cc1cccc(CCCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1	796004078	CRJGCRTUMMMJGF-UHFFFAOYSA-N	416.437	4.959	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1	797667537	LEACMIBQMFVSKM-UHFFFAOYSA-N	403.389	4.849	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@@H](F)c1ccc(C(F)(F)F)cc1	801929294	KHZBOGALQFTYCW-AWEZNQCLSA-N	410.289	4.800	50	20	HJGD	
C[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccsc1	802585663	LHIXRPFGGHFPOH-RFAUZJTJSA-N	422.881	4.783	50	20	HJGD	
CC[C@@H]1c2ccsc2CCN1C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	810146933	AASDLNYIZZKWIH-ZFDRCWCZSA-N	423.582	4.788	50	20	HJGD	
Cc1ccc(-c2csc(NC(=O)C(=O)NNc3c(C)cccc3C(C)C)n2)s1	813049724	NJVANJISLUVJCV-UHFFFAOYSA-N	414.556	4.694	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/C(C)=C\c2ccccc2COC)c1C	814187418	JDENDTXNJXQOAW-JABDDIKQSA-N	406.482	4.691	50	20	HJGD	
CCCC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccccn1	814702445	SKTBRUMVAZKAGZ-UHFFFAOYSA-N	419.554	4.715	50	20	HJGD	
COc1cc(NC(=O)NN=C(C)c2nc3ccccc3s2)c(OC)cc1Cl	814997256	YGGVFTYVSCHUIJ-UHFFFAOYSA-N	404.879	4.513	50	20	HJGD	
CCCCN(C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C)[C@@H](C)c1ccc(C)o1	914517851	BEWJTBGLLKKJPR-AHFVYKFHSA-N	411.546	4.950	50	20	HJGD	
CCCc1ccc([C@H](NC(=O)NNc2cncc(Cl)n2)c2cccs2)cc1	916195602	WLTPSBWTTRSMQK-SFHVURJKSA-N	401.923	4.560	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNC(=O)Cc1cccc2ccccc12	917546060	MNWZZHXCPBFZSX-UHFFFAOYSA-N	416.912	4.989	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N(C)[C@H](C)c3cccc(Cl)c3)cc2C1	918002425	JLBWDRKPOCQXRD-CHWSQXEVSA-N	405.951	4.574	50	20	HJGD	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cc1	1116206741	HMNNSCKFDMHSIF-UVTDQMKNSA-N	404.249	4.725	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](c2cccs2)N2CCCC2)c(C)n1CC(C)C	1251213477	YYRDLWZVRBDKHP-WCCCRJGXSA-N	424.614	4.683	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1nc(-c2ccc(F)cc2)n2c1CCCCC2	1325993281	YYHNCTPQOHASFQ-UHFFFAOYSA-N	418.394	4.590	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(C)n3)CCC2)cc1	1786444040	PHSGUVDTANNDKF-LJQANCHMSA-N	413.949	4.854	50	20	HJGD	
Cc1cccc2[nH]c(C(=O)NC3(c4ccc(NC(=O)[C@@H](F)Cl)cc4)CCC3)cc12	1788584597	FPSVTICROGYTSA-LJQANCHMSA-N	413.880	4.758	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccoc3)CCC2)cc1	1790488822	DVGGGYOSNKCGSG-KRNDSPITSA-N	421.324	4.663	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2ccccc2)n[nH]1	1823492516	XZFHXCQZUDXSQE-AYBZRNKSSA-N	416.953	4.613	50	20	HJGD	
CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)cc1	1824014728	WGHVNGLZEVARLZ-OAQYLSRUSA-N	419.009	4.747	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1	1824611587	MSYZDDAACZXIRH-PMACEKPBSA-N	408.970	4.537	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2C)CC1	1832567231	YSUAOGQHVMZDMZ-FGZHOGPDSA-N	419.009	4.944	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)cc2)cc1OC	6582866	CLVZTBQKVOSBCY-XQNSMLJCSA-N	412.489	4.637	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2ccco2)cc1OCC	212650547	ZDADMCQKDCULEQ-ZROIWOOFSA-N	402.244	4.795	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3c(C)cccc3s2)c1C	302897028	PGJZMOHZTKRJPQ-YQYFLZKSSA-N	408.527	4.776	50	20	HJGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	727169597	KQOHEZBLRUXVCP-IREQLNLFSA-N	419.308	4.630	50	20	HJGD	
COc1ccc(CCC(=O)NNc2cccc(C(F)(F)F)c2)cc1Br	727758947	MZNVOFXTAYGDPG-UHFFFAOYSA-N	417.225	4.552	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(C(F)(F)F)cc2)c1C	728314973	YWKUTEMYMHCPLR-PUMYGXPMSA-N	420.431	4.982	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ncc(-c3cccc(Br)c3)[nH]2)cc1	731938675	RCXYBRDAOCWVMV-XNTDXEJSSA-N	407.271	4.693	50	20	HJGD	
Cc1c(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)sc2ccc(F)cc12	732977932	WBANZABNFSITGH-UHFFFAOYSA-N	402.838	4.809	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCCO)c(C)n1-c1cccc(Cl)c1Cl	733377784	ONAQCXVQLSMJTB-WJDWOHSUSA-N	407.297	4.624	50	20	HJGD	
CC[C@@H]1c2ccccc2CCN1C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	733942983	OGZHARACWBJEIN-LWCUEARXSA-N	417.553	4.727	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccc(CSc2nc3ccccc3[nH]2)cc1	735698371	FPACCIURICQQDW-UHFFFAOYSA-N	410.449	4.890	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccc(SCc2cn3ccccc3n2)cc1	735698507	MLXDVEZYWSCVFS-UHFFFAOYSA-N	410.449	4.662	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	743407578	TVPNMBDEGVNVFE-UHFFFAOYSA-N	422.204	4.685	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](C)c2csc3ccccc23)c(Cl)c1	743597871	JSOGWDKDSASAGI-LBPRGKRZSA-N	402.907	4.960	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c3ccccn3)c2C)cc1	743655258	PAUVAPOXQCPDDZ-SLOMDMAXSA-N	414.509	4.624	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c3c(c2)OCCCO3)cc1Cl	744843336	IFCFXKBBGMCLNC-QPEQYQDCSA-N	419.264	4.709	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cc3c(s2)-c2ccccc2CC3)c1	745195961	ZFIAOFWRDODSKU-UHFFFAOYSA-N	411.527	4.593	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc(-c2ccccc2Cl)on1	748201382	VSRACXDKZUXPAM-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1OC	754149358	AEDDEUVKDCGQEU-UHFFFAOYSA-N	400.372	4.789	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1	760137841	YJUDBPRAXALJTC-UHFFFAOYSA-N	415.515	4.683	50	20	HJGD	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NNC(=O)c1ccc2ccccc2c1	767754641	LDQDDAGNYYBNGG-LJQANCHMSA-N	415.415	4.786	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(F)cc1-c1nc(C2CC2)no1	771166851	WITASTQFERZZNG-UHFFFAOYSA-N	405.792	4.694	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)C(=O)c3cccc(F)c3)cs2)cc1	772171082	CFMYDZCZQQOVNE-WJDWOHSUSA-N	421.453	4.765	50	20	HJGD	
COc1cc(/C=C(\C#N)c2cc(SC)ncn2)ccc1OCc1ccc(F)cc1	773170011	BWPZBPRIUGGLJG-RQZCQDPDSA-N	407.470	4.989	50	20	HJGD	
CSc1cc(/C(C#N)=C\c2cc(Br)cc(C)c2OC(F)F)ncn1	773176431	LZABFJOTXYCWHA-WCIBSUBMSA-N	412.259	4.935	50	20	HJGD	
COC(=O)c1csc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777645020	RMSIOOBRBGRHAK-UHFFFAOYSA-N	423.406	4.993	50	20	HJGD	
COc1ccc(OS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c(C=O)c1	777849291	JDTARDQYXNTXSG-UHFFFAOYSA-N	418.361	4.933	50	20	HJGD	
Cc1noc(C)c1COc1ccccc1C(=O)NNc1ccccc1OC(F)(F)F	779217657	RRFCVFDIIIJHGX-UHFFFAOYSA-N	421.375	4.526	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	780739040	IENGAPSKEGMBRU-UHFFFAOYSA-N	421.840	4.547	50	20	HJGD	
Cc1cc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n(CCC#N)n1	782910706	MFXVHWANRZIVDD-UHFFFAOYSA-N	416.397	4.563	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1sc2cc(Cl)ccc2c1Cl	788567146	ZSSSEXBBSBTMOR-UHFFFAOYSA-N	422.322	4.879	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl	791906084	NHJKCAPORIDZGW-UHFFFAOYSA-N	413.261	4.742	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1	792869112	AJPAEZJFHQGQPC-UHFFFAOYSA-N	417.670	4.588	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	799758408	KOBMKGHTWKRIIB-QFIPXVFZSA-N	400.478	4.769	50	20	HJGD	
O=C(Nc1ccc(CNCc2ccc(OCCCCl)cc2)cc1)c1ccncc1	811477216	JBFAEQYZXNBJDY-UHFFFAOYSA-N	409.917	4.631	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=C3CC[C@@H](C(=O)O)C[C@H]3C)c3ccccc3n2)cc1	814713593	DKJVUBFQUVECEL-SJLPKXTDSA-N	415.493	4.817	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ncco3)cc2C)c1C	820260379	CVKGNBQLDSOXBX-WCEBZYJUSA-N	418.497	4.821	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc([C@@H](C)CC)cc2)cc1	849205060	MZHNSOCLSZFDFM-TYSUYXETSA-N	406.482	4.688	50	20	HJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)o1	915843597	JHPWMKQABNRWFN-LGMDPLHJSA-N	400.434	4.896	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccs3)c(OC)c2)c1	917596210	MZFAOAUYDPYHNW-BOPFTXTBSA-N	420.490	4.890	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1C	917844449	UPNHKUPBAWCUFX-DDOBUTFKSA-N	409.505	4.598	50	20	HJGD	
COc1ccc(OCc2nc(C=NNC(=O)c3ccc(C(C)(C)C)cc3)cs2)cc1	920364807	FFNOMUPQIMAJKI-UHFFFAOYSA-N	423.538	4.792	50	20	HJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3ccc(Br)cc3)c(C)c2c1	932510646	UNAUWXQJEPYRSD-UHFFFAOYSA-N	415.287	4.782	50	20	HJGD	
CC(C)[C@H](NC(=O)NNC(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1	1318177240	NTRVCPJAQIQJMW-INIZCTEOSA-N	413.827	4.700	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3F)CCC2)cc1	1786012677	VIPIQXAVDUJQPM-UHFFFAOYSA-N	402.897	4.838	50	20	HJGD	
Cc1csc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Br)CCC3)cc2)c1	1786487927	OOSATUBSGKAGAO-CYBMUJFWSA-N	421.360	4.588	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CCC1	1789079098	WCQPXDDJVFURDU-QGZVFWFLSA-N	411.889	4.593	50	20	HJGD	
CCCc1ccc(C(=O)N2CCC3(CCCN(C(=O)C(C)(C)CCl)C3)CC2)cc1	1805261424	BOPLJRZIRYRIBV-UHFFFAOYSA-N	419.009	4.749	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3csc(C)c3C)CC2)C1	1806155923	GPDBHFUXGMOWBJ-GOSISDBHSA-N	411.011	4.617	50	20	HJGD	
Cc1scc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)c1C	1814694550	FEGMZOLHPCOWPK-INIZCTEOSA-N	422.982	4.659	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1	1814697380	CRAVMUKXDXBLMW-INIZCTEOSA-N	423.344	4.634	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824013246	STLBIJAAZMUSHD-IBGZPJMESA-N	411.030	4.864	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)s2)CC1	1824612344	YGXXKAOFENUXSZ-HOTGVXAUSA-N	414.974	4.528	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2)CC1	1830309198	HDXNRSAUBVCVEZ-RTBURBONSA-N	411.373	4.591	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1	1832389753	HMEWZLOSCNHVLN-RQOSSDEQSA-N	409.014	4.594	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)cc1OC	6209948	BQBAMZGSHIXMSS-DEDYPNTBSA-N	414.461	4.828	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OC(=O)c1cccs1	23723596	KGYOUYYTONXYDZ-RVDMUPIBSA-N	422.437	4.661	50	20	HJGD	
COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	33752999	QATGJABFXWKAIJ-HMAPJEAMSA-N	419.502	4.921	50	20	HJGD	
Cc1cccc(C(=O)NNc2ccc(F)c(F)c2F)c1NC(=O)c1ccccc1F	216821495	YCWYTZDEWXKZMO-UHFFFAOYSA-N	417.362	4.561	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2csc(-c3ccc4c(c3)OCO4)n2)c1C	728437808	JDENOKXRZHROTQ-LZYBPNLTSA-N	403.463	4.701	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(C)c1	730595978	IVPXIFFALWZLIT-LSDHHAIUSA-N	408.354	4.732	50	20	HJGD	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNc1ncccc1Cl	734247413	JHXFAFBWOMGMCA-UHFFFAOYSA-N	421.309	4.768	50	20	HJGD	
Cc1cc(NNC(=O)c2oc3ccccc3c2CSCc2ccccc2)ncn1	734256479	JUFWQFYZLMHGCU-UHFFFAOYSA-N	404.495	4.722	50	20	HJGD	
CCc1cc(NNC(=O)c2ccc(-c3ccccc3Cl)o2)nc(-c2ccccn2)n1	734357102	PNEUKDOYMZNRQQ-UHFFFAOYSA-N	419.872	4.771	50	20	HJGD	
COc1ccc([C@@H](NC(=O)NNc2cc(F)c(F)cc2F)c2ccc(F)cc2)cc1	734664238	PCVVOUNRBCXOEH-FQEVSTJZSA-N	419.378	4.667	50	20	HJGD	
COc1ccc(C(=O)NN=C2CCC[C@H]2Cc2ccccc2)cc1Br	735615579	PBMNCLYSATZUHY-HNNXBMFYSA-N	401.304	4.586	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1cc(F)cc([N+](=O)[O-])c1	742005941	LTXSKGTXTDPWCE-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
COc1cccc(-c2noc([C@H](C)NC(=O)CCCC[C@@H]3CCSS3)n2)c1	742925613	MGZRDUUFEKHSHZ-XJKSGUPXSA-N	407.561	4.637	50	20	HJGD	
O=C(NCC1(c2ccccc2)CCC1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	745408922	XEYXSSFYTYKJCT-UHFFFAOYSA-N	414.509	4.811	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NNc1ccc(OC(F)F)cc1	748655764	CKQJPIPAKVJHSE-UHFFFAOYSA-N	409.845	4.751	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1	751168296	JCPHENMZNYZGAH-UHFFFAOYSA-N	412.467	4.998	50	20	HJGD	
C=CCN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1	752971602	COTFJWXJEWLTIC-LBPRGKRZSA-N	420.425	4.551	50	20	HJGD	
COc1ccccc1SCC(=O)NNC(=O)Nc1ccc2c(c1)oc1ccccc12	755915966	NIIIOKLGQKFDFZ-UHFFFAOYSA-N	421.478	4.540	50	20	HJGD	
O=C(/C=C\c1ccc(Cl)nc1)NNc1ccc(Br)cc1C(F)(F)F	759038788	VVLACGKFADPNKG-KXFIGUGUSA-N	420.616	4.673	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2sc(C)nc2CC(C)C)c1C	760835687	HVYFKGDLGXRUOG-HNIBHBHRSA-N	414.575	4.821	50	20	HJGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNc1c(Cl)cc(Br)cc1Cl	764402717	YMQYBRUDNXLBRZ-SSDOTTSWSA-N	420.138	4.733	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1	767950965	XHOYPCNOGAEOOT-LSDHHAIUSA-N	406.324	4.600	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl	770815751	RQGXXIROSKDNEH-UHFFFAOYSA-N	413.836	4.662	50	20	HJGD	
O=C(NCCOCc1ccccc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773363195	QCZQHMSQRPAWJD-UHFFFAOYSA-N	424.391	4.616	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2coc(-c3ccccc3Cl)n2)cc1C(F)(F)F	776481568	HAZOLLZPILGZTO-UHFFFAOYSA-N	406.751	4.642	50	20	HJGD	
N#C/C(=C/c1ccc2cnccc2c1)c1nc(O)c2cc(Br)ccc2n1	780003920	AKRUIBRSZLSATJ-NVNXTCNLSA-N	403.239	4.710	50	20	HJGD	
Cc1cc(NNC(=O)c2c[nH]nc2-c2cc3ccccc3o2)ccc1Br	780951598	ZYMRRSROGCCTCU-UHFFFAOYSA-N	411.259	4.651	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)c1cccc(C(F)(F)F)c1	782369554	MXOOYMBANMKWSH-MKMNVTDBSA-N	411.339	4.614	50	20	HJGD	
CCCn1ccc2cc(NC(=O)C(=O)NNc3c(Cl)cc(F)cc3Cl)ccc21	784878765	KYOZKFJIJLYVTG-UHFFFAOYSA-N	423.275	4.579	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[C@@H]1CCCOC1	794881837	DRBMIDWXPCASAA-VGVSSDJJSA-N	412.829	4.943	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F	799759592	SDRSWBHPQSXMKH-UHFFFAOYSA-N	406.383	4.658	50	20	HJGD	
Cc1ccc(SC2(CNC(=O)NNc3ccc4c(=O)[nH]ccc4c3)CCCC2)cc1	806929945	GTGZDHGRYSUODZ-UHFFFAOYSA-N	422.554	4.568	50	20	HJGD	
CCOC1(C)CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)CC1	816787659	AKCUHYXORCLUHO-HMMYKYKNSA-N	409.505	4.558	50	20	HJGD	
C[C@@](Cc1nc2ccccc2s1)(C(=O)NNc1cccc(Cl)n1)c1ccccc1	817008586	YKAPFUCNSIMJHE-QFIPXVFZSA-N	422.941	4.988	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1	913627962	JPOCUOCMYPPOOG-OAQYLSRUSA-N	407.539	4.914	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1	916162357	MIFPTAUBNSYLAM-UHFFFAOYSA-N	401.260	4.686	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)c1	917560435	YLWAMMPODSTHMI-YBEGLDIGSA-N	421.453	4.765	50	20	HJGD	
CCc1nc2cc(NC(=O)/C(C#N)=C\c3cc(C)n([C@H](C)COC)c3C)ccc2o1	918639889	IWUIVRJOIIVGNJ-YQYFLZKSSA-N	406.486	4.562	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cccc(OCc4cccc(C(=O)O)c4)c3)nc12	1252080134	LKGJEBGSOXQFGL-VXLYETTFSA-N	410.433	4.608	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@@H]2OCCC[C@H]2C1	1253191126	VYVNZDKKZSEBRW-WHOFXGATSA-N	408.873	4.939	50	20	HJGD	
O=C(/C=C\c1cc(Cl)cc(Cl)c1)NNC(=O)c1c(Cl)cccc1Cl	1318424191	VIUKEYIXOUXTBV-PLNGDYQASA-N	404.080	4.775	50	20	HJGD	
Cc1ccc(F)cc1C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1785942140	OFZZEOUHOWCQAR-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)s1	1786011564	YZBFMQDKGCJHCY-UHFFFAOYSA-N	419.978	4.773	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1	1786904360	BPFGZMXSNJXHBX-FQEVSTJZSA-N	423.340	4.583	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1C	27601729	KHYQGHZLBCGKLJ-WOJGMQOQSA-N	420.340	4.624	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1)O[C@H](C)C2	206944433	PFAWDNVGNDGEDT-FKZYXTMDSA-N	402.372	4.583	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NCc1ccccc1	213358668	FJROIUHQVJWNRF-UYRXBGFRSA-N	415.880	4.816	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c1	727498541	WJMXLAXBUKWQBW-UHFFFAOYSA-N	420.563	4.546	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1cccc(OC(F)F)c1)[C@H](CC)c1ccccc1	728600026	WULSOZPZKNOJAR-GOSISDBHSA-N	405.445	4.506	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)c2cc(Cl)cc(Cl)c2)c1C	733227364	HTFGSOQBJZMZCU-PXNMLYILSA-N	406.313	4.628	50	20	HJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2csc(N(C(C)=O)C3CC3)n2)cc1	734306693	QCMHZMXIPPTVAW-SFQUDFHCSA-N	408.527	4.547	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2cc(F)c(F)cc2F)n1	734551836	BCXMBAQZGFKFTI-UHFFFAOYSA-N	409.458	4.918	50	20	HJGD	
CCO[C@@H](C)c1nc(COC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cs1	736743712	YJFDNUSNYZTXBT-DUPIZPNJSA-N	415.559	4.965	50	20	HJGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1c(F)cc(F)cc1Br	741977777	SUJCGUWWDGHESR-LLVKDONJSA-N	423.179	4.907	50	20	HJGD	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)NNC(=O)c2ccccc2C)cc1	743512140	RHLVGINGRBDOMK-SFHVURJKSA-N	417.509	4.718	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c(Cl)c1	743535934	DDFMICWYMHKMCR-AWEZNQCLSA-N	404.898	4.533	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c(C)c1	743762058	KOXQVRQFPSJPAH-UHFFFAOYSA-N	414.509	4.904	50	20	HJGD	
CCCOc1ccccc1[C@H](CC(C)C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	746425310	HUBBDOURCPNRRJ-NRFANRHFSA-N	422.529	4.688	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCCc2nc(-c3ccccc3)sc21	747042854	SEVYMRWSDGAETP-UHFFFAOYSA-N	400.507	4.691	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cccc([N+](=O)[O-])c3)c3c(C)noc3n2)c(C)s1	748005730	KXAXAYFDJONYDF-UHFFFAOYSA-N	423.454	4.542	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1Cl	753318069	ZGAOVYSPAUKWNL-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Br	765614751	ZTUSRQTZCZPXLQ-YHYXMXQVSA-N	408.595	4.983	50	20	HJGD	
O=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cccc2c1OCCO2	766549638	XXXSEOBJBSYXPQ-UHFFFAOYSA-N	417.377	4.916	50	20	HJGD	
O=C(NNc1ccccc1F)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1	770060971	CTRRZYIKSDXPCI-UHFFFAOYSA-N	418.881	4.619	50	20	HJGD	
Cc1nc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)c2ccccc2n1	770552652	CJEBXDGBCJWNMN-DRPFOCBESA-N	404.520	4.941	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccc(Br)c(Cl)c1	771675486	UKPFZQOARSRDPB-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CSc1cc(/C(C#N)=C\c2ccc(Br)c(Br)c2)ncn1	773176983	SFWGIENOLBALOH-WMZJFQQLSA-N	411.122	4.788	50	20	HJGD	
Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CO2	773399408	CLXBIGZQPMJXFW-AWEZNQCLSA-N	422.375	4.841	50	20	HJGD	
COc1cc(C=O)ccc1OS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777842953	KVRBCAYDSYUCET-UHFFFAOYSA-N	418.361	4.933	50	20	HJGD	
CC(C)Sc1cc(Br)ccc1C=NNC(=O)CCc1ccccc1O	779776084	LUDDGWDKRRWWJN-UHFFFAOYSA-N	421.360	4.738	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)ccc1Oc1cccnc1	784804715	RLPBRMDMEUFNQN-UHFFFAOYSA-N	418.497	4.562	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3F)co2)c1C	796009333	OOZYARDBRHDEEA-PACYTGELSA-N	422.460	4.652	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-]	805462729	RBZFKRFGJXWHSB-UHFFFAOYSA-N	421.482	4.560	50	20	HJGD	
CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(CO[Si](C)(C)C(C)(C)C)cc3)[C@H]2C1	808783207	LXTQEUKGYSZWPQ-RJGXRXQPSA-N	416.682	4.945	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@H]2c2cccs2)c1C	809290639	WVBYBQRUGFFSJX-NMHAHIIKSA-N	411.571	4.891	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)c(C(F)(F)F)c1	816703773	SIPPVFOSKBHBQO-UHFFFAOYSA-N	423.435	4.764	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)cc(C#N)n1C	816802384	KEGNAIBHOXSFLW-NVNXTCNLSA-N	419.847	4.605	50	20	HJGD	
COc1cccc(NNC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)n1	857483064	OGEAWROZMWUBLB-UHFFFAOYSA-N	406.244	4.960	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	916345694	ATTWZIJWXUVSFC-UHFFFAOYSA-N	413.430	4.626	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)Cc3cnc(C)s3)c2C)c1	916506415	DVBLIQWBJNDAFW-RGVLZGJSSA-N	404.539	4.733	50	20	HJGD	
Cc1cc(-n2c(C)cc(C=NNC(=O)c3sc(-c4ccccc4)nc3C)c2C)no1	917028166	NUIVFVGHSGZSKL-UHFFFAOYSA-N	419.510	4.586	50	20	HJGD	
CCc1oc2ccccc2c1CN(C)C(=O)NNC(=O)c1ccc2ccccc2c1	918013554	KVRGKKGUUSSODP-UHFFFAOYSA-N	401.466	4.635	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc(OC)c1	918713048	JHRSWWBFRHPOHU-XDHOZWIPSA-N	400.482	4.756	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C(=O)c2ccccc2)C(C)C)c1C	918818200	NMANJVILLGDTTH-RAUCFSQZSA-N	422.525	4.670	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1sc2cc(F)ccc2c1Cl	1116389429	AVDMMFOYOAZMTL-UHFFFAOYSA-N	400.660	4.608	50	20	HJGD	
CC(C)n1ncc2c1[C@@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)CCC2	1320261454	SWGMCYYQUWFXSJ-QFIPXVFZSA-N	403.530	4.762	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCc4ccoc4C3)cc2)CCC1	1786217805	JANLCZOTQQMRMN-APWZRJJASA-N	414.933	4.536	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3F)CCC2)cc1	1790488190	WDBRVOUOEYLXPO-HNNXBMFYSA-N	424.303	4.639	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1c(F)cccc1F	1791606831	DHUYLFNFIBBAKO-UHFFFAOYSA-N	413.251	4.516	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)CCC2)cc1)C(Cl)Cl	1791607170	KRGKOYXREBCNPV-QZTJIDSGSA-N	417.336	4.728	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1	1817135082	XKXQONXHBSWBKZ-BLLLJJGKSA-N	417.978	4.586	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2C)CC1	1824614430	BVEKDVUQNULFGD-RTWAWAEBSA-N	419.009	4.944	50	20	HJGD	
Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)oc2ccccc12	1827613864	VITNFWFGEOURJN-XLIONFOSSA-N	420.912	4.509	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2sc3cc(F)ccc3c2Cl)c1C	15428074	WPZLOOUHPQJUIQ-UHFFFAOYSA-N	407.923	4.942	50	20	HJGD	
O=C(NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cccc(Cl)c1	15475279	DPYRQYURCPRJFX-NRFANRHFSA-N	403.869	4.680	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccccc2Br)s1)C(=O)NCc1ccco1	23042659	IMASTGPMYSCUKZ-JLHYYAGUSA-N	413.296	4.994	50	20	HJGD	
Cc1cccc(COc2cccc(C(=O)NNC(=S)Nc3cccc(C)c3C)c2)c1	28615907	OQMOHIREONVPBW-UHFFFAOYSA-N	419.550	4.822	50	20	HJGD	
O=S(=O)(Nc1ccc(F)cc1Br)c1ccc(CCCCl)cc1	110204266	PHRGZHJCYRKJRC-UHFFFAOYSA-N	406.704	4.560	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCN(C(=O)CCC2CCCCC2)CC1	302925466	AECNXKDVNJJEOZ-IBGZPJMESA-N	412.665	4.732	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(-c2ccc(Cl)cc2)on1	727171350	DFSMKTMVEUJIPU-UHFFFAOYSA-N	414.918	4.750	50	20	HJGD	
O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1c(Cl)cccc1Cl	727793289	AJYWRAXKCVIFGZ-UHFFFAOYSA-N	413.304	4.977	50	20	HJGD	
Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C\c1cnn(CCCl)c1	728699298	FSLKFZLVAZWCJC-GZTJUZNOSA-N	422.941	4.813	50	20	HJGD	
O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1Cl	728782551	MMJCCUVNWQXBMY-UHFFFAOYSA-N	405.601	4.885	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NNC(=O)CC(C)(C)C	730141528	SENPKWSXURMNEL-LBPRGKRZSA-N	408.955	4.600	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3cccc(C(F)(F)F)c3)c3c2CCC3)c(C)c1	730275548	LWIGINXUVRSXJP-UHFFFAOYSA-N	414.431	4.754	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNC(=O)C(C)(C)c1ccccc1	731176324	PRQCENULMDXVLD-UHFFFAOYSA-N	419.959	4.572	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ncc(-c2ccc(Br)cc2)[nH]1	732714258	UWPHZILGBGTWOK-GDNBJRDFSA-N	407.271	4.693	50	20	HJGD	
O=P(CCN(CCc1cccc(F)c1)C1CC1)(c1ccccc1)c1ccccc1	733796211	ABMZWHHHDYERHX-UHFFFAOYSA-N	407.469	4.847	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)NNc2cc(F)c(F)cc2F)ccc1OC1CCCC1	734658719	UXIYXMXWTFSFNV-GFCCVEGCSA-N	423.435	4.821	50	20	HJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])c2)cc1	737803798	XYIZWUUCELGHEA-UHFFFAOYSA-N	407.817	4.620	50	20	HJGD	
CCCN(CCP(=O)(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	740884000	RPPZYSLMUHMVOB-WXFUMESZSA-N	411.526	4.526	50	20	HJGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)c1sccc1-c1ccccc1	742459054	DKGJEOAURRJQMR-UHFFFAOYSA-N	419.428	4.578	50	20	HJGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	743410290	UUNKHGZRIXDJDH-CQSZACIVSA-N	413.909	4.912	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](C)c1ccccc1C(F)(F)F	743821351	NDXMMTPDZGIFIA-ZDUSSCGKSA-N	409.477	4.698	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2nc3ccccc3s2)c(C)n1CC(C)C	744322522	YLXFRBXBYFBHDL-ODLFYWEKSA-N	406.555	4.936	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCc2nc3ccccc3s2)c1C	744388297	MUHMFDILSLSBJU-RGEXLXHISA-N	406.555	4.781	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1OCCCC#N	747361243	IZISRUWCKTWDEJ-DEDYPNTBSA-N	403.482	4.849	50	20	HJGD	
CCc1ccc(-c2nc(CC(=O)NNc3ccccc3Br)cs2)cc1	748058240	DGJXGBCXYWYRTP-UHFFFAOYSA-N	416.344	4.821	50	20	HJGD	
Cc1ccc(-c2nc(C)c(C(=O)NNc3ccc(F)cc3Br)s2)o1	748075082	UXEFJAMPEVZOQF-UHFFFAOYSA-N	410.268	4.678	50	20	HJGD	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)NNc1ccc(OC(F)F)cc1	748643752	OCAICQKJVVRBGU-UHFFFAOYSA-N	424.245	4.526	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccc(NC(=O)c2cccnc2)cc1	748753847	YNRSSFAGOQHFOO-IBGZPJMESA-N	415.584	4.664	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)o1	752883170	NGYDZDDGLSPVEZ-SFHVURJKSA-N	418.280	4.628	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	754485429	KWVSQCOPNNRSEI-UHFFFAOYSA-N	424.291	4.998	50	20	HJGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NNc1cccc(C(F)(F)F)n1	755819323	LIIMSWVVYRXECG-UHFFFAOYSA-N	412.220	4.575	50	20	HJGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)Nc1cccc(C(F)F)c1	756299300	ALAJVDCDYMKSSI-GFCCVEGCSA-N	411.836	4.515	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCO[C@H]([C@@H]2CCCO2)C1	762975159	KBDZQGABVODAPL-KBPBESRZSA-N	402.385	4.756	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H](Br)C(C)(C)C	767035621	ULQXIMICGNWGPN-KRWDZBQOSA-N	403.320	4.995	50	20	HJGD	
CC(C)n1ncc2cc(NC(=O)NNc3ccc(Br)c(F)c3)ccc21	771159824	WWDHGODEMYLORM-UHFFFAOYSA-N	406.259	4.667	50	20	HJGD	
CN(C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CCC(CO)CC1	772424297	UBPSVZQYZLUIMQ-QOZQQMKHSA-N	410.889	4.921	50	20	HJGD	
N#C/C(=C/c1cnc2ccc(Br)cn12)C(=O)c1ccc(F)c(Cl)c1	773160251	NKIRXBSNZNJUFC-WZUFQYTHSA-N	404.626	4.679	50	20	HJGD	
CSc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1C	775512876	ZPZXDCORXMZFBI-QDDTUJKSSA-N	409.555	4.860	50	20	HJGD	
COc1cccc(NNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)n1	780769057	AQOHNMDETGRMCI-UHFFFAOYSA-N	401.797	4.734	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3sc(C)nc3c2)c1C	781203467	RJKSKENGRVYVLK-BBSXFRJVSA-N	408.527	4.776	50	20	HJGD	
C[C@H]1CCC[C@H](C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783462902	KTBYKVNSFTXUJN-QWRGUYRKSA-N	407.426	4.975	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(O[C@@H]2CCOC2)cc1	788723511	ADYSPLUVSVQFJJ-CYBMUJFWSA-N	401.677	4.571	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cc(C#N)n1C	793824794	VIFQMLMXRMRBLT-CHHVJCJISA-N	407.886	4.528	50	20	HJGD	
CC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1coc(C(C)C)n1	799473997	UAJFMEJBPPLSHQ-UHFFFAOYSA-N	402.907	4.916	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)c1cn(C)c(C)n1	800804704	HZOOCNOXVTYSDR-UHFFFAOYSA-N	412.493	4.615	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(Sc2ccccc2C#N)cc1	805383764	OEKNFQOUHGINAO-UHFFFAOYSA-N	404.451	4.683	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1csc(-c2ccc(Cl)cc2Cl)n1	805460184	FOWKEBUKLRPEDM-UHFFFAOYSA-N	420.325	4.931	50	20	HJGD	
COCCOCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	809147749	UPBKCQKLRWUMJU-MHWRWJLKSA-N	405.281	4.702	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4cccc(Cl)n4)cc3)o2)c1	817006069	URNYWYZNZFSVBK-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(C(C)(F)F)cc2)c1C	817462176	HTOUMOXCJBRBNJ-YODDIOPGSA-N	415.484	4.647	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccccc1CSc1nc2ccccc2o1	825306529	OXPHTVMWDWKYJX-UHFFFAOYSA-N	420.450	4.785	50	20	HJGD	
CC(=O)Nc1ccc(OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	909606076	KOPBRNZYJIFAJL-CPNJWEJPSA-N	417.440	4.704	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCC#N)c(C)n1-c1cccc(C(F)(F)F)c1	913253018	VCIBQRYMOHXDIE-BOPFTXTBSA-N	401.388	4.867	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)N1CCCC1	915846004	BNHRFPVSVBWQGO-JXAWBTAJSA-N	402.885	4.722	50	20	HJGD	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(C)(=O)=O)cc1	916132384	BGFDXSXEAITBHR-DEDYPNTBSA-N	409.536	4.560	50	20	HJGD	
CC(C)[C@H](NC(=O)NNC(=O)c1ccccc1O)c1ccc(C2CCCCC2)cc1	916201954	NCPHIDVRMMIKBQ-QFIPXVFZSA-N	409.530	4.781	50	20	HJGD	
CC(C)c1ccc([C@@H](NC(=O)NNc2ccc(Cl)nn2)c2cccs2)cc1	916205631	IJQOINOXRTUAFV-GOSISDBHSA-N	401.923	4.731	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)Cc1ccc(Cl)cc1	916351032	XODGXADLHJIPMG-UHFFFAOYSA-N	421.715	4.834	50	20	HJGD	
O=C(NN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	916359840	BYUQACLUBWVWAU-UHFFFAOYSA-N	421.284	4.656	50	20	HJGD	
Cc1noc([C@H]2CCCN(C(=O)/C(C#N)=C\c3cc(C)n(C4CCCCC4)c3C)C2)n1	919851970	KQADNEAABXWGDV-IAFWPLRWSA-N	421.545	4.615	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c(C)n1CCC(C)C	1322112876	ZWVTVBVAOXQNDE-KEBDBYFISA-N	406.486	4.509	50	20	HJGD	
CCc1cc(NNC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)nc(-c2ccccn2)n1	1329019928	FPOVYJYALQNUAB-UHFFFAOYSA-N	415.541	4.573	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1	1786011423	OZEPJWXCHHOJGY-UHFFFAOYSA-N	415.921	4.565	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)CN(CC)CC)CCC2)cc1	1786445885	AHCMYAWVHAMFFE-YLJYHZDGSA-N	422.013	4.506	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cc2[nH]ccc2s1	1788584346	BHDRKKDITREYIR-INIZCTEOSA-N	405.882	4.512	50	20	HJGD	
Cc1cscc1C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Br)CCC2)cc1	1788747779	TYYCWPVBWXFPKC-ZDUSSCGKSA-N	421.360	4.588	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3sccc3OC)cc2)CCC1	1789932233	DDOQUOBRVFMXBU-OAHLLOKOSA-N	406.935	4.522	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4[nH]3)CCC2)cc1	1790486534	COQCSSVRSIMIGC-OAHLLOKOSA-N	415.946	4.995	50	20	HJGD	
CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@H](F)Br)cc3)CCC2)CC1	1790534330	LDJURMXYYOKBGL-PBHICJAKSA-N	423.326	4.557	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(F)c3F)cc2)CCC1	1792128838	DGKWRXFLVZKOPJ-INIZCTEOSA-N	424.850	4.869	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1	1824015434	PJZFBLXKMDBWFY-IBGZPJMESA-N	411.030	4.842	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1	1824609261	KLIZUSBTNQORBE-DLBZAZTESA-N	424.935	4.746	50	20	HJGD	
Cc1cc(C(=O)COC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c(C)[nH]1	23402597	SZJJEYWJYLNRRN-UDWIEESQSA-N	407.514	4.888	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ncccn3)cc2C)c1C	60106322	NASNEYDJADPLLC-ZHZULCJRSA-N	415.497	4.951	50	20	HJGD	
O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NNc1cccc(C(F)(F)F)c1	728716426	BQIJNDMWZDQKLF-UHFFFAOYSA-N	416.359	4.578	50	20	HJGD	
Cc1cccc(NNC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c1	729268960	HCTNNOUZYCDYHE-UHFFFAOYSA-N	410.524	4.950	50	20	HJGD	
COc1cc(C(=O)NN=c2cc[nH]c3ccccc23)cc(Cl)c1OCCC(C)C	730288606	OBEVXCUAIMYAID-UHFFFAOYSA-N	413.905	4.501	50	20	HJGD	
Cc1ccc2oc(C(=O)NNc3ccc(Br)cc3C(F)(F)F)cc2n1	731479484	VFVAAPDRCHZLAM-UHFFFAOYSA-N	414.181	4.674	50	20	HJGD	
C[C@H]1CCCCN1C[C@@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	733796046	ZKPAGIHYYZHWLM-BJKOFHAPSA-N	424.569	4.587	50	20	HJGD	
O=C(NNc1ncccc1Cl)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	734245932	XFXAMRDSOGBOMO-QGZVFWFLSA-N	405.857	4.990	50	20	HJGD	
Cc1c(COC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)oc2ccccc12	734290726	VOFCVWMPJODQBY-FVIRYLMMSA-N	418.493	4.989	50	20	HJGD	
O=C(NCc1ccc(COCc2ccccc2)cc1)NNc1cc(F)c(F)cc1F	734658898	NLRBWKLCHIYMBD-UHFFFAOYSA-N	415.415	4.647	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(Oc3ccc(C)cc3)CC2)c1C	735016144	MSGCAEOLBRAFSS-CJLVFECKSA-N	405.542	4.800	50	20	HJGD	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)NNc3ccccc3)c12	738506918	DBMUVTVXRCPXKC-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c1C	739781907	UCGAATJZEVYKBE-VYVDHXHBSA-N	402.498	4.954	50	20	HJGD	
Cc1ccccc1COc1cccc(CC(=O)NNc2cccc(C(F)(F)F)n2)c1	740128042	JDCKIYYIHGCETI-UHFFFAOYSA-N	415.415	4.674	50	20	HJGD	
C[C@](O)(CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1cccs1	740434411	IUHXPEUMKDVPER-HIFRSBDPSA-N	424.897	4.997	50	20	HJGD	
CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(CCCCl)cc2)s1	742303005	UMBXDUSOBKATNJ-AWEZNQCLSA-N	400.997	4.567	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3ncc(CC)o3)c2C)cc1	744455729	JZQOASFDZLZLLI-UNOMPAQXSA-N	419.481	4.694	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1C(F)(F)F	746894580	OIPWLOOADULCEC-UHFFFAOYSA-N	419.334	4.645	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ccccc1Br	748059247	JLMBMQDUPOEHLQ-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)c2C(C)C)cc1	748711468	ZRBQQIVTPYYSEY-UHFFFAOYSA-N	413.865	4.623	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1	749227212	CCEBVWUCCUQIEF-UNOMPAQXSA-N	417.440	4.635	50	20	HJGD	
O=C(CCc1nc2cc(Br)ccc2s1)NNc1ccc(Cl)cc1	749273633	QITXVWSOFDYZNS-UHFFFAOYSA-N	410.724	4.788	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)ccc1OCC(F)(F)F	750901350	RRRAZNKBKNJJDT-VIZOYTHASA-N	419.355	4.545	50	20	HJGD	
COCCOC[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752975037	SBCGWLMDGAYHRE-GFCCVEGCSA-N	404.401	4.861	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)n1	755321390	SAZMNSWKKFPYLL-LBPRGKRZSA-N	416.938	4.566	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1cccc(-c2cccs2)c1	756303192	ZLLIGHFSDNUZBE-UHFFFAOYSA-N	404.451	4.537	50	20	HJGD	
CSc1cccc(NC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1C	757903142	OPSKRKSHJSPIAI-UHFFFAOYSA-N	412.540	4.615	50	20	HJGD	
CC[C@H](C)n1ncc(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)c1C1CC1	762729628	TWXHCXQRZOBWLD-DVJYIIGMSA-N	423.561	4.903	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c(C)n1C1CCCCC1	765232043	UUXVHTGRKWPCJE-PUMYGXPMSA-N	408.550	4.636	50	20	HJGD	
Cc1ccc(-c2ncco2)cc1NC(=O)NNc1ccc(Br)c(F)c1	771176676	JPNXGBKVYQREMK-UHFFFAOYSA-N	405.227	4.700	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc3ccc(Br)cc3n2)cc1	771521270	SKPFYSMNDOZYQI-UVTDQMKNSA-N	408.255	4.552	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCOCC2(CCCC2)C1	773100453	IIMIWENUKMJWIF-UHFFFAOYSA-N	421.453	4.925	50	20	HJGD	
N#C/C(=C\c1cc2ccccc2nc1N1CCOCC1)C(=O)c1ccc(Cl)cc1F	773166034	WALHKEHAGKREDC-SFQUDFHCSA-N	421.859	4.654	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1-c1nc(C2CC2)no1	775658452	YIPXFGMXFMDEOP-UHFFFAOYSA-N	421.354	4.921	50	20	HJGD	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NNc1cc(Cl)ccc1Cl	778392936	WFBAEHPQHRFKPR-MRVPVSSYSA-N	409.239	4.616	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	781092329	UPGJJLGCLXBDBS-BVZFJXPGSA-N	422.388	4.884	50	20	HJGD	
CCCCSCC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783468379	AVDFDZGIVATCOL-UHFFFAOYSA-N	413.455	4.682	50	20	HJGD	
COc1cc(COC(=O)/C(C#N)=C/c2ccccc2)ccc1OCc1cccc(C#N)c1	785347559	YNTUCIUGCOPXHF-YDZHTSKRSA-N	424.456	4.796	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	787490908	WZZOBPDTDFSLMR-PYRJCGHNSA-N	400.400	4.770	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1C	790138084	KANFBWBOYQBJLC-BKQORJHRSA-N	419.447	4.555	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(/C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)cn1	800791740	FIHNLAGHBYSUCK-WQLSENKSSA-N	419.535	4.802	50	20	HJGD	
O=C(Cc1ccccc1Cl)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804209757	LZPDMRNKPPKMPX-UHFFFAOYSA-N	406.795	4.502	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(F)c(C(F)(F)F)cc1F	806359043	YRUHFQIQLNWKNK-UHFFFAOYSA-N	401.722	4.942	50	20	HJGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	814714268	ZJOSZSAYIMXTFE-GDBMZVCRSA-N	419.456	4.648	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(Br)cc2F)sc2ccc(C#N)cc12	815852380	RZDIJXYRPNXKLD-UHFFFAOYSA-N	404.264	4.740	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cccc(F)c1Br	816073328	QYBZDAQBICZTGS-UHFFFAOYSA-N	416.088	4.670	50	20	HJGD	
O=C(NN=Cc1ccccc1OCc1ccccn1)c1cc2c(s1)CCCCC2	819841324	WIFAXBFEUSQEAM-UHFFFAOYSA-N	405.523	4.755	50	20	HJGD	
CC(=O)Nc1cccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	914454352	SWABMWRRYCCWQU-QRAWFLTRSA-N	420.557	4.894	50	20	HJGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2sc(Oc3ccccc3)nc2Cl)c1	915942032	HTAYVHLOUZICKT-UHFFFAOYSA-N	415.902	4.735	50	20	HJGD	
CCOc1cccc2cc([C@@H](C)NC(=O)NNC(=O)c3ccc4ccccc4c3)oc12	918013549	KRWPXMILTNMQRA-OAHLLOKOSA-N	417.465	4.690	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3csc(COc4ccccc4)n3)cc2C1	918711199	GYKNBWOTQVASBD-AWEZNQCLSA-N	411.552	4.672	50	20	HJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)oc12	919880215	CWCVRCXQCZIANK-UHFFFAOYSA-N	418.449	4.605	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2)c1C	920006124	KRZITRSCQATBCX-ZFMLPXDISA-N	406.530	4.589	50	20	HJGD	
CCCNC(=O)NNC(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1	921042499	YOBIMDGGCLKNRE-UHFFFAOYSA-N	412.342	4.640	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2cccc(C(F)(F)F)n2)c1	1318658384	PICVUTOXYDJGBV-UHFFFAOYSA-N	408.811	4.918	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@@H](C(=O)NC3CC3)C2)cc1	1327716089	DSWHONAAAUWAFR-HXUWFJFHSA-N	402.655	4.699	50	20	HJGD	
O=C(NCc1ncc(-c2ccccc2)o1)NNc1nc(Cl)c(Cl)cc1Cl	1338541935	BTGFQSGVFKJUDY-UHFFFAOYSA-N	412.664	4.523	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]ccc4n3)CCC2)cc1	1786445156	VKEVJJUFGJSGCQ-KRWDZBQOSA-N	424.932	4.718	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C3(c4ccc(F)cc4)CC3)CCC2)cc1)[C@H](F)Cl	1788582248	HKFPIKBWLZTBEL-SFHVURJKSA-N	418.871	4.526	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H]3C)cc2)CCC1	1789214983	YWKVSSXNTYDENM-JLSDUUJJSA-N	421.379	4.730	50	20	HJGD	
C[C@H](Br)C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CC=CCC3)cc2)CCC1	1791994080	LLYPPPQIHIOHBT-YWZLYKJASA-N	419.363	4.650	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)cc2C)n[nH]1	1823315040	NUKCMJFLEIDFLU-FUHWJXTLSA-N	420.916	4.571	50	20	HJGD	
Cc1sc2ncnc(S[C@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)c2c1C	7124287	QFGUJGPPOAJNFU-GFCCVEGCSA-N	407.524	4.631	50	20	HJGD	
O=C1O[C@@H](C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)Cc2ccccc21	97089021	XRWLPCZSGPUTHS-DYVFJYSZSA-N	415.820	4.626	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1	725726267	SSNHPRAINLOVQH-DSTXGFKJSA-N	400.400	4.683	50	20	HJGD	
C=C(C)COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)c1	727330822	VUCSSFWBHQMGOH-NIQDBXHUSA-N	407.514	4.813	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3ccc(F)c(F)c3F)cc2)cs1	727760102	XLAOXICVPIKKBK-UHFFFAOYSA-N	409.458	4.918	50	20	HJGD	
Cc1cccc(-c2cccc(CNC(=O)NNC(=O)CCCc3ccccc3)c2)c1	727844017	AIUJGFBGOLWULL-UHFFFAOYSA-N	401.510	4.515	50	20	HJGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	727934165	BTMYLONYMAVWDC-YMTOWFKASA-N	406.861	4.831	50	20	HJGD	
CC(C)(C)C[C@@H](NC(=O)NNC(=O)c1cccc(OC(F)F)c1)c1ccc(F)cc1	728599434	HVANVEZSLITBMD-QGZVFWFLSA-N	423.435	4.549	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)ccc1C(N)=O	728836108	DFQNMRWBGKOTGV-CPNJWEJPSA-N	404.514	4.563	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)CC(=O)N3)c(C)n1C1CCCCC1	733779743	JVEYBHFVNALZOE-YBFXNURJSA-N	402.498	4.650	50	20	HJGD	
O=C(NN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccc2ccccc12	741465631	QODOUXOTHAQYRJ-UHFFFAOYSA-N	402.454	4.502	50	20	HJGD	
O=C(NNC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1c(Cl)cccc1Cl	742628089	OMZRJRLUJZIXBC-UHFFFAOYSA-N	418.255	4.633	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2cc(F)ccc12	747994905	JVMFUQAAMFISAD-UHFFFAOYSA-N	402.385	4.706	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cncc(-c2ccc3c(c2)CCO3)c1	748018301	OMBQHBLZXDNFBU-UHFFFAOYSA-N	400.265	4.747	50	20	HJGD	
Cc1cccc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)n1	750029105	ANGZUTJSGANEMX-DEDYPNTBSA-N	402.473	4.502	50	20	HJGD	
CC(C)[C@H](CNC(=O)NNc1nc(Cl)c(Cl)cc1Cl)c1cccnc1	751814173	RSWKTWGUKHFFES-NSHDSACASA-N	402.713	4.503	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1	757020829	BDHZMLYGJHMVFY-BOPFTXTBSA-N	408.841	4.962	50	20	HJGD	
O=C(NN=Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(Cl)cc1Cl	758095138	HQXUJUFAJRYODV-UHFFFAOYSA-N	409.166	4.838	50	20	HJGD	
COc1cc(/C=C(/C#N)c2ccncn2)ccc1OCc1ccc(Br)cc1	758911756	KQLAMWRMHBYLTF-YVLHZVERSA-N	422.282	4.891	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(S(=O)(=O)C(C)C)c1	769842693	HOOPDMUAEXMSHY-UHFFFAOYSA-N	416.568	4.819	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1C	770268730	TYBBXERBSSIUIR-QNGOZBTKSA-N	409.493	4.880	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1csc(-c2ccccc2F)n1	771674715	LBSSWHBKFJQNRU-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
COCC1(C)CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	773464161	CGBSSGMZFUVIKR-UHFFFAOYSA-N	416.412	4.558	50	20	HJGD	
C[C@H](CNc1ccccc1)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773669702	PCNCTTIITLHFAW-GFCCVEGCSA-N	423.407	4.899	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(N2CCCC2=O)c(Cl)c1	775469633	IZNVWJKSDQOYKP-UHFFFAOYSA-N	412.799	4.634	50	20	HJGD	
CCCCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)ccc1OC	787150515	COMVHDXMSZCVID-HDAKKWKLSA-N	408.498	4.667	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)c(C)cc2OC(F)F)cc1	787151456	MVLUTBHRVRPNDT-JQFNYASXSA-N	400.425	4.698	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=C3CCC3(C)C)c3ccccc3n2)cc1OC	788974569	GWANTLJDRTZAMP-UHFFFAOYSA-N	403.482	4.825	50	20	HJGD	
COc1ccc(SCCC(=O)NNc2cc(Cl)cc(Cl)c2)cc1OC	791723659	WLQUNIFVCYYWMU-UHFFFAOYSA-N	401.315	4.636	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)N(C)C)c2C)c1C	791908298	KEVGZIKLIOHHSN-ZHZULCJRSA-N	421.545	4.853	50	20	HJGD	
C[C@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H](C2CC2)O1	795207547	DCMDMVRFXOVKNS-HZMBPMFUSA-N	407.426	4.532	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	798983177	XVOLRLBMMDGVGX-JTQLQIEISA-N	401.310	4.843	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1F	799260948	GIBFNELRNOWGOL-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
Cc1ccccc1NNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1	865523634	OLYVKGWTETWEPU-OAQYLSRUSA-N	407.901	4.653	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c(C)n1CC(C)C	913138138	WAPCXATZLBDTSA-FAUWUSJQSA-N	421.541	4.864	50	20	HJGD	
Cc1cc2cc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)ccc2[nH]1	914763843	QYTRTSKATDMJLU-MOSHPQCFSA-N	420.476	4.799	50	20	HJGD	
CN(CCC#N)c1ccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1	916285168	WECWVUOTOBVVMF-UHFFFAOYSA-N	423.476	4.609	50	20	HJGD	
O=S(=O)(NC1(C2CC2)CCOCC1)c1ccc(S(F)(F)(F)(F)F)cc1	1116631433	ZAADDGAHZBNBDV-UHFFFAOYSA-N	407.426	4.582	50	20	HJGD	
COc1ccc(C[C@@H](C)N(C)CCP(=O)(c2ccccc2)c2ccccc2)cc1	1340785924	KVKPBGUAGFZHPZ-OAQYLSRUSA-N	407.494	4.572	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)c3ccccc3)CCC2)cc1	1790488052	SCDPSQQWMHMRPX-MOPGFXCFSA-N	402.897	4.849	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cc2ccsc2[nH]1	1790877411	QRVWVMAWJMVAJT-HNNXBMFYSA-N	405.882	4.512	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3sccc3s1)C2	1793680946	PQAVAAOJMRKGPG-CRWXNKLISA-N	410.992	4.622	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CC[C@H](CC)CC3)CC2)C1	1806162653	ROABVTUWAJCYFK-VAMGGRTRSA-N	411.030	4.842	50	20	HJGD	
CC1(C)CCC(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)CC1	1827610614	CQFXIWIKDNQZMI-QUCCMNQESA-N	414.993	4.747	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1	1829976581	ZXAYLTULKDWEIR-RBUKOAKNSA-N	411.373	4.591	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	1831475985	RHMXJDWZCSODIX-PMXSJFBMSA-N	423.041	4.697	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2Cl)c(C)n1C[C@@H]1CCCO1	24003784	YPXBGDPQJFGAGL-ROVCCESRSA-N	411.933	4.722	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1cccc(F)c1	137718453	MNQVJJVPUVHLPV-UHFFFAOYSA-N	400.413	4.507	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c(C)n1C1CCCCC1	261399620	PPLLIRNAHNVDLC-BWCLHNGZSA-N	405.546	4.646	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1ccc2c(c1)OCO2)c1nc(-c2ccc(C#N)cc2)cs1	728159052	ZTXSSZVFZYHLJL-REZTVBANSA-N	423.457	4.865	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)c2ccc(Br)s2)c1	732926735	TUMJACRIYHMGCV-POHAHGRESA-N	414.227	4.910	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2cccc(NC(=O)C(C)C)c2)c(C)n1CC(C)C	733172662	CTEQSYJJOCWIPX-RGVLZGJSSA-N	407.514	4.868	50	20	HJGD	
C[C@@H]1CCCCN1C[C@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	733796048	ZKPAGIHYYZHWLM-RPWUZVMVSA-N	424.569	4.587	50	20	HJGD	
Cc1ccc(C(C)C)c(Oc2ccc(C=NNC(=O)c3c[nH]nc3C)cc2[N+](=O)[O-])c1	735410404	DBKWCGMQZZBZPQ-UHFFFAOYSA-N	421.457	4.614	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cccnc1SCC1CCCCC1	740094903	CIORECUIODWIHC-UHFFFAOYSA-N	410.465	4.925	50	20	HJGD	
COc1cc(OC)c(C(C)=NNC(=O)Nc2ccc(OC(F)F)cc2)cc1Cl	741770915	IBJIMTCEQHJBTI-UHFFFAOYSA-N	413.808	4.504	50	20	HJGD	
CC(COc1ccc2cc(Br)ccc2c1)=NNC(=O)c1ccc(C#N)cc1	743437284	SKDVEMFDIPBIRV-UHFFFAOYSA-N	422.282	4.659	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1	744502444	QLZWQLVQHFKZIM-CLXYIWAZSA-N	407.857	4.834	50	20	HJGD	
O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NNc1ccc(Cl)cc1Cl	748007968	KFCHKWIJHWABGI-AWEZNQCLSA-N	416.717	4.593	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)NNc1cccc(C#N)c1	748044281	INHYTSQACMXHGD-UHFFFAOYSA-N	402.454	4.815	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H](c1ccccc1)N1CCOC1=O	748672356	FRXMEUBQCREAEE-FQEVSTJZSA-N	423.538	4.907	50	20	HJGD	
O=C(CCc1ccccc1)NN=Cc1cn(Cc2ccccc2)nc1-c1ccccc1	749747680	KQLWSURPYNSVCH-UHFFFAOYSA-N	408.505	4.681	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ncc(C)s3)c2C)cc1	750087215	CXIHSKDLGSUOGG-ZVCOJXFSSA-N	420.538	4.652	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1csc(-c2ccc(Cl)s2)n1	754469468	BHWKUGKNAOJFNX-UHFFFAOYSA-N	413.915	4.739	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2c[nH]c3ncccc23)c1C	767543785	UBNRUXSGBGQGSB-MIQLPHMESA-N	418.497	4.503	50	20	HJGD	
COC(=O)[C@H](C)Sc1ccccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	768012381	VPYJBOQWAGVPPJ-VIFPVBQESA-N	417.289	4.543	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cn(C)nc2-c2ccccc2)c(C)n1CC(F)(F)F	771521583	TXWQNBRPAOUWKN-YVLHZVERSA-N	412.415	4.858	50	20	HJGD	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)NNc2ccc3ccccc3n2)s1	775609624	ATGFJPRYGKOJAN-INIZCTEOSA-N	404.499	4.777	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cc(Cl)cc(C(F)(F)F)c1	777636437	SNNMOHJXMXPAIK-UHFFFAOYSA-N	411.594	4.740	50	20	HJGD	
O=S(=O)(N[C@@H](CCO)C1CCCCC1)c1cccc(S(F)(F)(F)(F)F)c1	777965146	YPCYGYWQTJJBFK-HNNXBMFYSA-N	423.469	4.954	50	20	HJGD	
CC1(C)[C@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@H]2CCCO[C@H]21	777976544	WCTVIGXOLZSUDU-MGPQQGTHSA-N	421.453	4.826	50	20	HJGD	
CCn1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)nnc1-c1ccccc1	779609759	UNUSIQXHDUUTBW-HKWRFOASSA-N	419.535	4.579	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c(C2CCCCC2)n1	783687801	FBFJOVKPUBCKTK-PTNGSMBKSA-N	413.319	4.776	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2csc(-c3ccc(F)cc3)n2)cc1	787154018	IIUQKJOOXNCGGG-MPMPPSQCSA-N	407.470	4.742	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2N(C)C)c1C	790138851	QDWZZIIYHCRFPX-ZNBBLSJYSA-N	414.937	4.577	50	20	HJGD	
COc1cc(/C=C(\C(=O)NNc2ccc(Cl)c(OC)c2)c2ccccc2)ccc1O	790180516	MLNZTRVUSBSTJX-PDGQHHTCSA-N	424.884	4.747	50	20	HJGD	
C=C(CBr)CN1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl	791475441	PGFVYOXREKEAOM-HNNXBMFYSA-N	406.151	4.738	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(C(F)F)c2)c1C	791761166	DRQKXJLDYAGPMC-ANQVYJHKSA-N	402.441	4.900	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(-c2noc(C(F)F)n2)cc1	807183226	NCKWWAFTEJUCSC-UHFFFAOYSA-N	417.174	4.877	50	20	HJGD	
COc1cc(NNC(=O)Nc2nc(-c3ccc(SC)cc3)ns2)ccc1Cl	809930555	QZHZALVSUGTLCX-UHFFFAOYSA-N	421.935	4.738	50	20	HJGD	
Cc1cccnc1NNC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1	811438782	GUNMPOJFTPXCKJ-UHFFFAOYSA-N	404.898	4.727	50	20	HJGD	
O=C(NNC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1)Nc1ccc(-c2ccccc2)cc1	814426376	SBOCMTZGTGTKEA-XYWHTSSQSA-N	418.472	4.775	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(C)n1C[C@H]1CCCO1	844145611	BDOGWKCJBJANTD-CHNNHVQOSA-N	421.516	4.694	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1C	912912860	JMWUCTZMUXEOLM-UZUMKDMXSA-N	401.457	4.901	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)c1ccccc1	916248838	OYNJQQHTTASGMN-UHFFFAOYSA-N	400.869	4.957	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1Br)c1cccc(OC(F)F)c1	916482230	PBBQPSBOQNRINF-SECBINFHSA-N	418.213	4.577	50	20	HJGD	
O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)NNc1ccccc1Cl	918102739	COLZNBLOOIKKJU-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
O=C(NCc1ccc(F)cc1C(F)(F)F)NNc1ccc(F)cc1Br	918203567	BHGHBOMNGQRHFN-UHFFFAOYSA-N	424.167	4.572	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(Br)o2)c(C)n1CC(C)C	919712439	KQTLVVSNGFSDMZ-RQZCQDPDSA-N	418.335	4.682	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2c(-c3ccccc3)nc3ccccn23)n1	920399743	XRONFLSRXJVNJP-FOWTUZBSSA-N	400.463	4.699	50	20	HJGD	
COc1cccc(CN(C[C@@H]2CCCO2)C(=O)CCCC[C@@H]2CCSS2)c1	920820992	NPVFDFYQWYHVJS-VQTJNVASSA-N	409.617	4.917	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)c(Br)cc1O	921262293	SOZBVYQBNVWRAP-VGOFMYFVSA-N	412.243	4.586	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(CCN3CCC(C)CC3)o2)c(C)n1CCC(C)C	1117222346	UTBBLFFNQWONOC-JCMHNJIXSA-N	409.578	4.873	50	20	HJGD	
Cc1cc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)[C@@H](F)Cl)CCC4)cc3)cc2s1	1790879531	IMBLWDBWPRFIOJ-QGZVFWFLSA-N	419.909	4.820	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)C3CCSCC3)cc2)CCC1	1792349106	KURPYRMNAQUANK-UHFFFAOYSA-N	408.995	4.529	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)cc2F)n[nH]1	1821022414	WYLZFDWCJKNSPI-YJBOKZPZSA-N	420.916	4.571	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(O)c(OC)c3)n2)cc1	7210343	OETYXJKWLCTJAA-LICLKQGHSA-N	405.479	4.632	50	20	HJGD	
Cc1ccoc1C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	17522526	UFLDLDCMAFQWQI-UHFFFAOYSA-N	405.841	4.531	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	34720326	HRADTGJAOLNBHE-SQFISAMPSA-N	403.394	4.799	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1C	303714329	UYPAWNKHBUEYKV-DHDCSXOGSA-N	421.385	4.765	50	20	HJGD	
C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	727099097	XCZRAVUOVSKPFB-MRVPVSSYSA-N	422.095	4.529	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2cc(-c3ccccc3)cs2)c1	728431419	RDEWMIVYOATQFW-UHFFFAOYSA-N	415.312	4.950	50	20	HJGD	
O=C(NNc1ccc(F)cc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2	730209001	RNGKPRFDKAAQQB-UHFFFAOYSA-N	405.260	4.564	50	20	HJGD	
CC1(C)CCc2cc(/C=C(\C#N)C(=O)Nc3nc(-c4ccncc4)cs3)ccc2O1	731563854	WTYBVXWLRBLJFI-LDADJPATSA-N	416.506	4.854	50	20	HJGD	
CCc1nnc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)o1	732317518	OBHPXAYSLWUTBG-MIQLPHMESA-N	404.470	4.559	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2Cl)c2c(C(C)C)noc2n1	733805789	NWQNKMFOFAKBEH-UHFFFAOYSA-N	423.698	4.827	50	20	HJGD	
O=C(COc1cc(Cl)c(Cl)cc1Cl)NNc1nccc2sccc12	734249228	OQQJEVPPQVVTTD-UHFFFAOYSA-N	402.690	4.779	50	20	HJGD	
O=C(CSc1cccs1)Nc1ccc(C(=O)NNc2c(F)cccc2F)cc1	735695487	FITIEIHBQXAIJE-UHFFFAOYSA-N	419.478	4.514	50	20	HJGD	
Cc1sc(CNC(=O)NNc2c(F)cccc2F)nc1-c1ccc(Cl)cc1	735757992	SAVGOVBIFFVMIK-UHFFFAOYSA-N	408.861	4.876	50	20	HJGD	
CC(=NNC(=O)COCc1ccccc1)c1ccc2c(c1)Nc1ccccc1S2	737436526	DQFMADNHRZEVQW-UHFFFAOYSA-N	403.507	4.952	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	739750876	JEGGOGCKEWAIMI-UDWIEESQSA-N	413.502	4.909	50	20	HJGD	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)cc1	741727317	JSAZURBSDBPFIV-VYZAVGSRSA-N	424.504	4.665	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@@H](c3ccccc3)C(C)C)cc2)cc1	743301063	RHOKHZSXNWESKA-HSZRJFAPSA-N	422.550	4.711	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2ccccc2F)cc1	748049345	SEUFWEQMXSXNAE-UHFFFAOYSA-N	404.420	4.883	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)/C(=C/c1ccc(F)cc1)c1cccs1	749466972	DCIRXSAFJDWZEA-SFQUDFHCSA-N	406.438	4.635	50	20	HJGD	
CCOc1ccc(C(=O)NN=Cc2cc(C(F)(F)F)ccc2Cl)cc1OC	753690387	MANFLLQDLJXROV-UHFFFAOYSA-N	400.784	4.530	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1cccc(OC(F)(F)F)c1	753949239	XSJOAXJDFKJUJH-JTQLQIEISA-N	405.323	4.574	50	20	HJGD	
CN(C)CCCN(CCC#N)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	754889989	QEIJYPZPPDGKCQ-HNNXBMFYSA-N	422.904	4.605	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)c(Br)c1O	761010904	FHAKBTNBQQUAFP-IZZDOVSWSA-N	410.626	4.746	50	20	HJGD	
Cc1cc(-c2noc([C@H](C)NC(=O)NNc3ccccc3C(F)(F)F)n2)ccc1F	761790510	KALJNTIYQNPIIL-NSHDSACASA-N	423.370	4.590	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](CCCO)c2ccccc2)c(C)n1CCC(C)C	761913504	JJGSIDDPBQAAFL-VOGGAGISSA-N	407.558	4.688	50	20	HJGD	
O=C1CN(C(=O)CNc2cccc(S(F)(F)(F)(F)F)c2)c2ccccc2N1	762531206	OBCSJVIBBQTANV-UHFFFAOYSA-N	407.364	4.741	50	20	HJGD	
C[C@@H](OC(=O)[C@H](Br)C(C)(C)C)C(=O)Nc1cc(Cl)ccc1Cl	766749525	MDZXRLOACMGGCF-PELKAZGASA-N	411.123	4.673	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)OCc1nc(-c2cccc(C(F)(F)F)c2)no1	766750682	SXTXDDVPGXRESR-GFCCVEGCSA-N	421.213	4.608	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1Cl)c1nc(O)c2cc(Br)ccc2n1	767716894	HAHUZFIAXPJPSA-BJMVGYQFSA-N	404.626	4.955	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	768242995	DSXHFZOJXDBGJF-UHFFFAOYSA-N	419.466	4.520	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	771152545	JVIVQIKNACOMSS-LJAQVGFWSA-N	411.502	4.732	50	20	HJGD	
N#C/C(=C\c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1F	773151065	RBZVOAKYUHRGIW-BJMVGYQFSA-N	409.598	4.940	50	20	HJGD	
CSc1cc(/C(C#N)=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)ncn1	773176199	KMSNQCJINORRSI-NTUHNPAUSA-N	411.487	4.543	50	20	HJGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc(Sc2ccc(Cl)cc2)cc1	773359060	DTWCORGWNMQGGS-UHFFFAOYSA-N	423.885	4.693	50	20	HJGD	
C[C@@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cccc(O)c1	773367843	QJFYYLNKPWDWHJ-SNVBAGLBSA-N	410.364	4.866	50	20	HJGD	
CC(=NNC(=O)c1ccc(NN=C(C)C2CCSCC2)cc1)C1CCSCC1	777421879	PJTBLRBSFQPHCO-UHFFFAOYSA-N	418.632	4.867	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	777477687	VPYSMSNJIQALLX-HSZRJFAPSA-N	423.472	4.754	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccccc1OC(F)(F)F)c1ccsc1	779208729	ADIMXEQWEVWXSI-UHFFFAOYSA-N	421.400	4.656	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N(Cc1cccnc1)C1CC1	779532084	XANCRIHTJYLSFH-UHFFFAOYSA-N	421.391	4.869	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccc(COCc2ccccc2)cc1	790507433	AETGDGQJMATNKW-UHFFFAOYSA-N	410.405	4.599	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12	790585769	YYDKCLBBXNWLML-UHFFFAOYSA-N	402.385	4.706	50	20	HJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1c(F)cc(F)cc1Br	805185723	NSILPTYDPLHVCK-NSHDSACASA-N	420.257	4.597	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc3sccc3c2)c1C	811589583	YEYPNTSGNUOWBZ-NBZOHKLQSA-N	407.539	4.750	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2C)C2CC2)c1C	914487162	GHKAFBICUCQFBL-QNDYCBLQSA-N	405.542	4.719	50	20	HJGD	
CCOc1cc(C=NNC(=O)CCSc2ccc(F)cc2)cc(Cl)c1OC	916345898	HNAJEWOIXGKNBH-UHFFFAOYSA-N	410.898	4.519	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC[C@H](N2CCCC2)C1	916677274	VJYKHSBFJDMXSH-BBRMVZONSA-N	421.916	4.998	50	20	HJGD	
O=C(Nc1ccc(-n2cccn2)c(F)c1)NN(Cc1ccccc1)c1ccccc1	916691818	HBJCTSIJVPEDBT-UHFFFAOYSA-N	401.445	4.755	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)oc2ccccc12	918084802	LRNKCLREKKQWCI-QGZVFWFLSA-N	423.513	4.871	50	20	HJGD	
C[C@@H]1CCC[C@H](N(C)C(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	918439578	SYORHASQQVTZPS-BWACUDIHSA-N	422.900	4.882	50	20	HJGD	
COc1cc(NNC(=O)c2csc(Cc3ccc(Cl)cc3)n2)ccc1Cl	1116862574	VMGJWTGWZMONMU-UHFFFAOYSA-N	408.310	4.806	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cn3)cc2)CCC1	1789732158	NKVGTTOZTLIYIK-UHFFFAOYSA-N	420.340	4.748	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831695656	DZXIPBZVKOMMSE-VMXMFDLUSA-N	411.030	4.840	50	20	HJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1)O[C@H](C)C2	23100888	PFAWDNVGNDGEDT-IWTIEGKHSA-N	402.372	4.583	50	20	HJGD	
COc1cc(/C=C(C#N)\C(O)=N\c2nccs2)ccc1OC(=O)c1ccc(F)cc1	33608179	AVWREHURBJLCJM-GDNBJRDFSA-N	423.425	4.705	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1)c1nc(O)c2cc(Br)ccc2n1	43782807	LRILYJBZTRPAON-YRNVUSSQSA-N	418.197	4.763	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cc(C)n(Cc2ccco2)c1C	207908112	HPHHRDMKKNHGFR-ODLFYWEKSA-N	419.481	4.658	50	20	HJGD	
N#C/C(=C/c1ccccc1OCc1ccccn1)C(=O)Nc1ccc(F)c(Cl)c1	210112809	MCNOVNSCXUSWKJ-WJDWOHSUSA-N	407.832	4.999	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c(Cl)c1OC	303343454	WCGJYQKHQNBXMM-XFXZXTDPSA-N	410.779	4.922	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCc2nc3c(s2)CCCC3)c1C	727095435	BQQDOVSRLKETBR-XMHGGMMESA-N	410.587	4.506	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c2c(c1)C[C@H](C)O2	727743769	HGWKONOPWIEIBX-RZBIUYHXSA-N	403.265	4.871	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1cccc(Cl)c1)c1ccc2c(c1)CCC2	729310911	YBXJEIQWGHWZAI-UHFFFAOYSA-N	411.914	4.899	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-]	730151984	WOELRUMGDHIVTC-GHRIWEEISA-N	415.405	4.941	50	20	HJGD	
Cc1noc(C)c1C[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	737667129	TWIYHXGOGPLADA-PCXKXAPESA-N	408.546	4.869	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	742874624	VKBKKYYJFJWWRX-GOSISDBHSA-N	410.561	4.679	50	20	HJGD	
CCn1c([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)nc2ccccc21	743730524	QOQPXSISBIPNLL-PKIWBCANSA-N	417.557	4.915	50	20	HJGD	
CCCC[C@@H](NC(=O)NNC(=O)Nc1ccc(C)cc1Cl)c1ccc(OC)cc1	745801836	NZILQGBLHZANLT-GOSISDBHSA-N	418.925	4.924	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	748008426	KSNZYCWSUWWSPJ-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
Cc1ccc(-c2nc(C)c(C(=O)NNc3ccc(OCC(F)(F)F)cc3)s2)o1	748704894	PJJAGZHVLHCZJB-UHFFFAOYSA-N	411.405	4.718	50	20	HJGD	
O=C(NC[C@@H](O)COc1ccccc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752989355	BSXARAGDJDIESA-CYBMUJFWSA-N	412.380	4.905	50	20	HJGD	
CC[C@H](NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@H](O)C(F)(F)F	766327224	QQNNFBGFIBYARH-BKDNQFJXSA-N	424.794	4.729	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1ccc2oc3ccccc3c2c1	773693950	FKGRRVSYNYSLEK-UHFFFAOYSA-N	414.248	4.975	50	20	HJGD	
C[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccc(-n2cccn2)cc1	775524075	PXDXCJJTBYSKFU-NRFANRHFSA-N	415.477	4.537	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ncc(C(C)C)s2)c(C)n1C[C@@H]1CCCO1	783476659	JQKRFPYTIYXMPR-XSORJCKLSA-N	413.543	4.514	50	20	HJGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(Cl)cc1-c1ccccc1Cl	788697716	UGHLMVHUSYMRPC-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
C=C(CBr)CN1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl	791475442	PGFVYOXREKEAOM-OAHLLOKOSA-N	406.151	4.738	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2ccc(C(F)F)cc2)cc(OCC)c1OCC	794455673	INQPLCBONQOZBA-UHFFFAOYSA-N	406.429	4.584	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc(Br)cc1C(F)(F)F	794487095	XAFJJSZEWFWDFR-UHFFFAOYSA-N	419.628	4.814	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)c1cc(F)cc(F)c1	794690794	KKEUCFLBPULRQP-LHHJGKSTSA-N	403.310	4.959	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cccc2cnccc12	801501906	ZQLBJSGSCACMHV-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)[C@H](F)c1ccc(C(F)(F)F)cc1	801928930	BKJBWRMUUNGPMO-CYBMUJFWSA-N	409.152	4.761	50	20	HJGD	
O=C(NNC(=O)c1ncsc1-c1ccccc1)Nc1ccc(Cl)cc1Cl	802086673	XZRINIDCOPHSRD-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cc(OC)c(C)c2C)c1C	809190228	DDQVFEXAGCZYMG-XYHOIZSOSA-N	409.530	4.792	50	20	HJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(/C#N)C(=O)Nc1ccc2c(c1)OCCO2	811687212	MAGRTJQQPWXPQH-JBBFUIBGSA-N	412.392	4.551	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2Br)nn1)C(=O)c1cc2ccccc2o1	811687937	KLGVTEDXQAZLSQ-ZROIWOOFSA-N	419.238	4.566	50	20	HJGD	
Cc1ccc(-c2nnc(S)n2CCC(=O)NNc2c(C)cccc2C(C)C)cc1	812764778	HAZLKUQWWSPFKM-UHFFFAOYSA-N	409.559	4.507	50	20	HJGD	
COCc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1	914741449	MQKZALWPJFUVRS-UCQKPKSFSA-N	405.542	4.980	50	20	HJGD	
CC(C)c1noc(CCC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n1	915145307	UNRZFQOERZLZFL-HNNXBMFYSA-N	407.845	4.984	50	20	HJGD	
O=C(Nc1cccc(N2CCCCC2=O)c1)NN(Cc1ccccc1)c1ccccc1	915347654	XBFIMXGNKABBJY-UHFFFAOYSA-N	414.509	4.947	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cnn(-c3ccc(Cl)cc3)c2)cc1Cl	915983576	NSYTYQPMXYUJBR-ZSOIEALJSA-N	413.264	4.733	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2cccc(C#N)c2)c1)C(=O)c1ccc2c(c1)OCO2	915990393	RXJKLRDPTYCMRW-FBHDLOMBSA-N	408.413	4.656	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccco3)cs2)c1C	916057678	SUDFKAQBBAKACZ-KDVQLTRESA-N	410.499	4.575	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1Br)c1ccccc1OC(F)F	916409627	JJHGRHUZMDMWJV-SECBINFHSA-N	418.213	4.577	50	20	HJGD	
CN1C(=C(C#N)C(=O)CCC(=O)Nc2ccc(C(C)(C)C)cc2)N(C)c2ccccc21	919686066	HGCUGHFNVMIKEH-UHFFFAOYSA-N	416.525	4.593	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1OC	920067256	DJGVVFSKLDDTGL-CAOOACKPSA-N	403.463	4.772	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c1C	929350290	ZMSJRXZOCLDWAF-UNOMPAQXSA-N	405.527	4.969	50	20	HJGD	
O=C(CSc1ccc(Br)cc1)NNc1cccc(C(F)(F)F)c1	1337236276	KGXQQHDQQWBCBF-UHFFFAOYSA-N	405.239	4.703	50	20	HJGD	
Cc1nnc(-c2ccccc2NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)o1	1337446730	RCBIMFNOQHEXKY-YBFXNURJSA-N	403.486	4.665	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OC[C@@H]2CCCC(F)(F)C2)c(C)n1C[C@H]1CCCO1	1345728862	BMSZPMYNGYLFLV-QOJQYCKNSA-N	406.473	4.560	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc(Cn3cccc3)cc2)cc1	1352095241	JZXXGDREKPKJBI-UHFFFAOYSA-N	406.555	4.510	50	20	HJGD	
O=C(CCc1ccc(F)c(F)c1)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1785990265	ITYPRECJZKTUQC-IBGZPJMESA-N	424.850	4.566	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4cn3)CCC2)cc1	1790489460	DKNPAVCIPOMMKY-KRWDZBQOSA-N	411.889	4.593	50	20	HJGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl)c1ccon1	1800012093	YTJQPJZCWZPRLM-REPLKXPHSA-N	423.985	4.676	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2C)n[nH]1	1814599956	XCOADMXWTBRNHJ-YOEHRIQHSA-N	423.344	4.695	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1	1825874592	ALXJWGTWUUTTNC-PMACEKPBSA-N	408.970	4.537	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2Cl)CC1	1829858351	JPWZAURYVIWYGJ-SJORKVTESA-N	415.361	4.574	50	20	HJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccncc1	7907211	PCCAPFRFYJSLDO-WSGMWJAYSA-N	411.509	4.536	50	20	HJGD	
CC(=O)Nc1ccc(S[C@H](C)C(=O)NN(Cc2ccccc2)c2ccccc2)cc1	71945119	ALRHLRSROJJPDK-GOSISDBHSA-N	419.550	4.864	50	20	HJGD	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)NNc1ccccc1C(F)(F)F	110167301	PHUWMYASYSOWTA-UHFFFAOYSA-N	409.795	4.915	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)cc1	728887446	VHCSPOKCJFVOPA-QGOAFFKASA-N	418.474	4.912	50	20	HJGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1	728898111	IPIJTECXNAIURI-LFHWXDKUSA-N	415.541	4.702	50	20	HJGD	
CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NNC(=S)Nc1cccc(Cl)c1	729864094	KGQGVUYPFAGRDE-XMXAVACDSA-N	403.935	4.548	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	730244481	WVPDCLPFPWYGJP-RDJZCZTQSA-N	416.653	4.852	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1)C1CCC1	731936080	FZIDXYVIXJMPQH-UHFFFAOYSA-N	423.314	4.552	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(c3ccccc3)CCOCC2)c1C	732744341	WRXDOIBXECKUHD-OQKWZONESA-N	405.542	4.634	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1csc(Cc2ccccc2)n1	733807396	DJTDOCIBTSISTP-UHFFFAOYSA-N	422.735	4.907	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2csc(-c3c(F)cccc3F)n2)c(Cl)c1	743825064	QJACTNGTXORVEH-UHFFFAOYSA-N	422.844	4.517	50	20	HJGD	
Cc1cc([C@H](NC(=O)NNc2ccc(Cl)nn2)c2ccccc2Cl)ccc1F	745857183	JDFMHBIBJXVNAX-SFHVURJKSA-N	420.275	4.647	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)ccc1OC1CCCC1	746893552	MGKKIUSMLDMBBQ-UHFFFAOYSA-N	419.403	4.664	50	20	HJGD	
Cn1ccc(C=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1	749853030	AQXZEUQQFCDZJM-UHFFFAOYSA-N	406.536	4.691	50	20	HJGD	
C=CCCC(CC)=NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	750913235	XJEWAMHGHZDXAZ-UHFFFAOYSA-N	419.934	4.603	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1	752390306	WHFQDEXLPYPRDT-CHLKZYANSA-N	404.466	4.679	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(C)cc2Sc2ccccc2)c([N+](=O)[O-])c1	752591470	GWLXSBLDTCHYEW-UHFFFAOYSA-N	409.467	4.820	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCN(C[C@H]2CCOC2)CC1	752976113	FCNVHFNKUZXWOH-CYBMUJFWSA-N	415.428	4.530	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccccc1F	755697958	FBRUZAHXGRJNCL-JYRVWZFOSA-N	410.836	4.732	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2ccc(F)c3cccnc23)cc1	759117781	YVOWORZDKDNJTL-QGOAFFKASA-N	411.440	4.722	50	20	HJGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)C(=O)Nc1nc(-c2ccncc2)cs1	761393588	RXKORTCQUWQUPL-YRNVUSSQSA-N	406.414	4.831	50	20	HJGD	
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)[C@H](Br)C(C)(C)C	767333561	VEMKMCQJOBEQBN-DYVFJYSZSA-N	409.368	4.615	50	20	HJGD	
N#CCCCn1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c2ccccc21	768093958	UZCQOBPBKHYWGL-UHFFFAOYSA-N	402.376	4.601	50	20	HJGD	
C[C@@H]1SCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@H]1C	773281848	FARNIOOCCNMLAZ-UWVGGRQHSA-N	404.426	4.635	50	20	HJGD	
CCSCC[C@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773352778	WQQJPGARUVPYCV-JTQLQIEISA-N	406.442	4.930	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(Cl)c(Br)c1	775670137	MBGBOOBRSHVJQT-UHFFFAOYSA-N	409.593	4.665	50	20	HJGD	
CCC(C)(C)NC(=O)c1ccc(NC(=O)NNc2ccccc2OC(F)(F)F)cc1	779404130	HBRXGKVCKJRRMO-UHFFFAOYSA-N	424.423	4.652	50	20	HJGD	
CCn1c(SCC(=O)NNc2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1C	780805938	KORYULAGARMTHP-UHFFFAOYSA-N	423.586	4.806	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1c[nH]nc1-c1cc2ccccc2o1	780951487	WIGNITKIPPFELJ-UHFFFAOYSA-N	416.359	4.521	50	20	HJGD	
CC(C)C[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	782827709	LKAZHAOYDURRHQ-CYBMUJFWSA-N	401.401	4.722	50	20	HJGD	
COc1ccc(O)c(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782981517	QFSXXJYJIDAICL-UHFFFAOYSA-N	419.393	4.537	50	20	HJGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1	784785418	WZDGSUYAIFCXMK-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1	784805900	UYUVSYGQXGGMNO-UHFFFAOYSA-N	408.527	4.553	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)c1C	790333328	SNTLGUWZBNCXIN-NZGQIRARSA-N	423.557	4.741	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3c(Br)c(C)nn3C)n2)cc1	790602800	HJVMFOOOPYLEEL-MDWZMJQESA-N	415.316	4.687	50	20	HJGD	
COC(=O)c1cc2c(/C=C(\C#N)C(=O)c3ccc4ncccc4c3)ccc(OC)c2o1	794885398	RHFWZBZNNDPOIT-LICLKQGHSA-N	412.401	4.566	50	20	HJGD	
CC(C)(CC(=O)NNc1ccc(OCC(F)(F)F)cc1)CC(=O)c1ccccc1	799706373	DFPOPCLHYPCAEC-UHFFFAOYSA-N	408.420	4.760	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC=C(c3ccccc3)C2)c1C	803682656	ZUCRJGHYDFYHRT-OEBVFIGYSA-N	403.526	4.535	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c(C)n1CCC(C)C	812774060	DOPFAHXVXVZSIQ-STZFKDTASA-N	418.541	4.589	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc(F)cc1OC1CCOCC1	812983879	KWQZMTPTESVAQI-UHFFFAOYSA-N	401.482	4.964	50	20	HJGD	
CC(C)[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1(CO)CCC1	813721087	OAGWYPARVMGDGX-AWEZNQCLSA-N	423.469	4.810	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c([N+](=O)[O-])c1	814318087	ZYUQOGJPFHCPAV-UHFFFAOYSA-N	421.331	4.639	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(Br)cc2Cl)c(C(F)(F)F)c1	816704260	MIDBSVKZOKWDIA-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918558261	CEHUGMDNPWUTSW-HNNXBMFYSA-N	420.796	4.832	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(F)cc2F)c1C	918817290	DTIGXYWOKHHGFB-JLYGDYLGSA-N	402.441	4.802	50	20	HJGD	
CC(C)(C)c1nc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cs1	920358938	OXXNCFFGJHUMQQ-UHFFFAOYSA-N	415.522	4.815	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2ccc(-c3ccccc3)nn2)c1	1322447526	NKLIUTHNPWULNP-UHFFFAOYSA-N	417.900	4.961	50	20	HJGD	
O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	1338307418	BLPWSDRIFLGGRW-JXFKEZNVSA-N	404.601	4.675	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C)s3)CCC2)cc1	1786444823	VTRNXCJYWABYNW-INIZCTEOSA-N	405.951	4.607	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H]3CCc4ccccc43)CCC2)cc1)C(Cl)Cl	1791607074	IBBQRHXYBDKAOS-SFHVURJKSA-N	417.336	4.654	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC2(CCN(C(=O)c3ccc4ccoc4c3)CC2)C1	1805264316	HXOYKGRZIHQBGS-UHFFFAOYSA-N	416.949	4.543	50	20	HJGD	
CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)[C@H](F)Cl)CC2)C1)c1ccccc1	1809158858	WJQXYYSGDODVPQ-SXLOBPIMSA-N	422.972	4.582	50	20	HJGD	
CCCn1c(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)nc2ccccc21	10236926	GXXJWTHUNPTTCG-NNIWKIFQSA-N	419.529	4.618	50	20	HJGD	
Cc1nc(-c2ncccn2)sc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	47195526	SHPFQTDKBOEAKZ-UHFFFAOYSA-N	414.705	4.626	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(O[C@H](C)C#N)cc2)c(C)n1CC(F)(F)F	303223376	SJRLPMYFQYSSCL-KDVQLTRESA-N	401.388	4.748	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1csc(-c2ccc(F)cc2)n1	727178240	QQODRGLKOCVXFD-UHFFFAOYSA-N	414.531	4.704	50	20	HJGD	
CC(=NNC(=O)COc1ccccc1C#N)c1sc(-c2ccc(Cl)cc2)nc1C	727648578	KXTNFUMIWCRVRA-UHFFFAOYSA-N	424.913	4.563	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1ccc2c(c1)OCO2)c1nc(-c2ccc(C#N)cc2)cs1	728159050	ZTXSSZVFZYHLJL-IDUWFGFVSA-N	423.457	4.865	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1C	733278527	PWGISJDSKKZOSU-LEWNJWSRSA-N	419.569	4.800	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)Cc2ccccc2)c1C	735263912	LJQAPYFFPNAKOL-QNDYCBLQSA-N	407.558	4.604	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)Cc3c(C)noc3C)c2C)cc1	737667149	UPJRDCFHHOLKAG-QPNANDPSSA-N	416.525	4.662	50	20	HJGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccc(O)c(CN2CCCCC2)c1	741462519	HZDSJVBFJWEOOM-UHFFFAOYSA-N	401.510	4.685	50	20	HJGD	
O=C(NNC(=O)Nc1ccc(Br)cc1Cl)Nc1ccc(Cl)cc1	743808218	OLBNHEXWZGVZED-UHFFFAOYSA-N	418.078	4.614	50	20	HJGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)s1	743825778	DJWFCHVXNHHNAW-UHFFFAOYSA-N	407.495	4.539	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2cccs2)on1)Nc1ccc(-c2ccccc2)cc1	743826541	LBTVGSFJEWIAMF-UHFFFAOYSA-N	404.451	4.537	50	20	HJGD	
CCc1ccc(-c2nc(CC(=O)NNc3cccc(Br)c3)cs2)cc1	748020886	SNEXSLWKGCWXKY-UHFFFAOYSA-N	416.344	4.821	50	20	HJGD	
COc1cc(C(=O)NNc2cccc(F)c2)ccc1OCc1ccc(Cl)cc1	748098848	GGEBQIYGXTWJKV-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cn(Cc2ccccc2)nc1-c1ccccc1	748770026	VZCSNOYTUVYMSF-UHFFFAOYSA-N	419.488	4.904	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)c(Br)c1O	761015581	NXOWKDBOZGGFPA-ZROIWOOFSA-N	412.243	4.586	50	20	HJGD	
CCNC(=O)c1cc(NC(=O)CCCC[C@@H]2CCSS2)nc2ccccc12	763236888	KEGUZIJOHDIPEW-CQSZACIVSA-N	403.573	4.637	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1csc(-c2ccc(F)cc2)n1	767034978	YMNQCFQJTSOVDJ-UHFFFAOYSA-N	405.907	4.845	50	20	HJGD	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NNc1ccccc1OC(F)(F)F	779403709	NZLJGTBVCUAQLO-UHFFFAOYSA-N	410.396	4.637	50	20	HJGD	
O=C(NNc1ncncc1Cl)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1	781837140	UTZQRVVZKDQOBN-INIZCTEOSA-N	423.300	4.899	50	20	HJGD	
CCN(Cc1ccncc1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	782816663	FVNBWDJLPNXHJL-UHFFFAOYSA-N	409.380	4.726	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NN(Cc2ccccc2)c2ccccc2)c2cccnc2c1C	782825613	UPFPOYSYAKIHTG-UHFFFAOYSA-N	424.504	4.528	50	20	HJGD	
CCc1cnc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)s1	782981462	PVAQHQYBAXIDHG-UHFFFAOYSA-N	408.439	4.841	50	20	HJGD	
COc1ccc(Sc2ccc(NC(=O)C(=O)NNc3cc(C)cc(C)c3)cc2)cc1	783356564	JFWCSDXOGHVFKQ-UHFFFAOYSA-N	421.522	4.545	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)NCc2cccc(C)c2)ccc1OCC(F)(F)F	786057288	ZAEYIPMPNVBZEV-ZDLGFXPLSA-N	418.415	4.558	50	20	HJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccncc2)cc1	788349255	HGHHFCWZEWCVBU-ISPGYRLHSA-N	424.508	4.918	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c1C	790078100	BCYABEYCZQUUOS-DUPVFGOHSA-N	400.548	4.612	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c(Cl)c1	794753033	ZWRLDTLXILWVHC-UHFFFAOYSA-N	405.841	4.921	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799696565	ZPXCDVGXPIBJIC-UHFFFAOYSA-N	423.479	4.508	50	20	HJGD	
CCc1cc(NNC(=O)c2sc3cc(F)ccc3c2C)nc(-c2ccccn2)n1	806838790	NPGDSALJQRBAGZ-UHFFFAOYSA-N	407.474	4.520	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1C[C@@H]2CCC[C@H](C1)C2=O	817014753	XFZMBPPLKCGLIO-ZACCUICWSA-N	408.342	4.563	50	20	HJGD	
CCCNC(=O)c1cccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	915353107	NJHOAOPWAXAIRI-UHFFFAOYSA-N	402.498	4.570	50	20	HJGD	
O=C(NN=Cc1sc(Nc2ccccc2)nc1Cl)c1cc2c(s1)CCC2	916314914	AQNZLYPJTIPESU-UHFFFAOYSA-N	402.932	4.854	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2Cc3ccccc3-c3ccccc32)c1C	916497304	PVNNJPQLKWJUFN-PXLXIMEGSA-N	411.505	4.872	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1OC(F)F	917030180	WEACDOWPGXZRKQ-UHFFFAOYSA-N	420.412	4.928	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)c3nc(N)c4ccccc4n3)c2)cc1	1248609400	XYVWMJWGKPYUAN-AQTBWJFISA-N	421.460	4.537	50	20	HJGD	
O=C(NC[C@H](CO)CC1CCOCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	1320822937	IOFRTKVYDHVXSD-CYBMUJFWSA-N	418.428	4.891	50	20	HJGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1nc(C(C)(C)C)cs1	1338686872	VNRPPNWHHNEDHY-CYBMUJFWSA-N	400.997	4.652	50	20	HJGD	
Cc1ccc([C@@H](C)C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)cc1	1788587642	KTQRQIGNEUCCIG-BEFAXECRSA-N	402.897	4.767	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)CN(CC)CC)cc2)CCC1	1791060605	AFTFEUHYYVZKND-YLJYHZDGSA-N	422.013	4.506	50	20	HJGD	
N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCCCCCCCCCl)CC1	1800011053	UKPONVLQBDEAKZ-ACDBMABISA-N	422.013	4.678	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C)CC1	1824618127	PNMSBTDEENVKJM-SFTDATJTSA-N	422.972	4.775	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1	1830011051	SRWFTWMYEYOZPS-LEWJYISDSA-N	404.982	4.554	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1O	33410522	ZUXRSBYLGOCEPJ-ATVHPVEESA-N	416.433	4.747	50	20	HJGD	
O=C(COC(c1ccccc1)c1ccccc1)NNc1ccccc1C(F)(F)F	301689709	WFSFCFYUYQOSLO-UHFFFAOYSA-N	400.400	4.955	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccc(F)cc2)C2CC2)c(C)n1C[C@H]1CCCO1	302662680	JRJHPWSJYRVARP-NIQJEMAJSA-N	421.516	4.521	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)c3c(Cl)cccc3Cl)cc2)oc1C	727840729	RMMUYIPXEVKQMM-UHFFFAOYSA-N	419.268	4.732	50	20	HJGD	
O=C(CCc1cccc(OC2CCCC2)c1)NNc1ccc(Br)cc1	727848484	MGESIYGCIDMWJZ-UHFFFAOYSA-N	403.320	4.846	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3nc(-c4ccccc4)no3)sc2C)cc1	728081150	BXGFVZKCXBSCHV-UHFFFAOYSA-N	406.467	4.539	50	20	HJGD	
COc1cc(C=NNC(=O)c2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1	728785156	XAURVZRUYAJFRQ-UHFFFAOYSA-N	419.868	4.563	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(OC(F)F)cc2)s1	730205553	IERSHFTWUUCVHY-UHFFFAOYSA-N	405.382	4.682	50	20	HJGD	
O=C(NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cccc2ncccc12	730272526	RUYUUZWDTCDHAC-DEOSSOPVSA-N	420.472	4.575	50	20	HJGD	
COCCCOc1cccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)c1	730437564	SJGWYMJXWFXAOT-UVTDQMKNSA-N	406.301	4.716	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2Cl)C(C)C)c1C	734340447	AEESHZXTROCVSV-OOIVEFLKSA-N	413.949	4.825	50	20	HJGD	
O=P(CCN1CCSC[C@@H]1c1ccccc1)(c1ccccc1)c1ccccc1	734487704	JNWRVPOIDRGOEJ-XMMPIXPASA-N	407.519	4.791	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1	742852414	STQXDLNNYHCMID-WOJGMQOQSA-N	406.873	4.529	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H](c1ccc(F)cc1)C1CCCC1	743627942	IVGMUKXMADTBOK-JOCHJYFZSA-N	405.473	4.854	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c1	744566593	AMZDWICKEVURAH-FBJMNJBLSA-N	423.856	4.534	50	20	HJGD	
CCCN(CC(C)C)C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	747003421	XDMSEKZXJNETNS-MRXNPFEDSA-N	410.889	4.739	50	20	HJGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1ccc(Oc2ccccc2)cc1	747982568	FGHKWINJSFWXFN-UHFFFAOYSA-N	423.476	4.577	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	748008647	OMRMZUSMROWOTH-UHFFFAOYSA-N	424.162	4.600	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc(C2CC2)nc2ccc(F)cc12	748722699	ZMTLJPLOCAXINQ-UHFFFAOYSA-N	400.797	4.570	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1	748809376	VFOLHOYGDWQZLZ-YVLHZVERSA-N	413.857	4.550	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(COc2ccc(F)cc2)o1	754142706	HYYLQUUYHWRFCI-UHFFFAOYSA-N	412.314	4.913	50	20	HJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)c1nc(O)c2cc(Br)ccc2n1	755404700	BCNALIFFNZFEOQ-BJMVGYQFSA-N	404.626	4.955	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1	755584028	SYLCPPSWPWTZJE-LJQANCHMSA-N	414.465	4.841	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccccc2F)c(C)n1-c1ccccc1F	755639714	FWXUXULEKYDRAZ-LDADJPATSA-N	420.415	4.705	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1	757036130	YLJHHSYYWXTLBW-YVLHZVERSA-N	408.841	4.962	50	20	HJGD	
COc1cc(C)cc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762671141	YEEVFLSFCZMXJS-UHFFFAOYSA-N	424.391	4.916	50	20	HJGD	
COc1ccc(NC(=O)NNc2c(C)cccc2F)cc1NC(=O)C1CCCCC1	771154057	PGVXEYTUKSVGNO-UHFFFAOYSA-N	414.481	4.810	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ccc(C(F)(F)F)cn2)cc1C	775242954	BKCDHRWIZBJDOM-UHFFFAOYSA-N	413.399	4.705	50	20	HJGD	
N#Cc1ccc(-n2ccc(NC(=O)NNc3ccc(C(F)(F)F)cc3)n2)c(Cl)c1	775722293	OXLHIFLTWPJUNN-UHFFFAOYSA-N	420.782	4.565	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	776632098	DPQKZBHVUZQMNV-WSDLNYQXSA-N	411.436	4.539	50	20	HJGD	
CC(C)CN1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1=O	779451242	CEHBPQMZWNPVFK-UHFFFAOYSA-N	401.401	4.676	50	20	HJGD	
O=C(NNc1ncncc1Cl)Nc1ccc(Oc2cccc(F)c2)c2ccncc12	782032906	FYIMYFKSQQDKCA-UHFFFAOYSA-N	424.823	4.758	50	20	HJGD	
Cc1ccc(NC(=O)NNc2c(Cl)cccc2Cl)cc1C(=O)N(C)C(C)C	786071763	ZUQBEHQOVMRHPP-UHFFFAOYSA-N	409.317	4.931	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	787154943	NJCGPVPTTZETTK-QLENYVDCSA-N	417.421	4.648	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)/C(C#N)=C\c3ccc(O)cc3)s2)cc1	787370367	QADHMLAFCSCWNZ-IIMQCXAKSA-N	419.506	4.617	50	20	HJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3cc([N+](=O)[O-])ccc3Br)oc12	800618434	BRQQDNQVDUYWEC-UHFFFAOYSA-N	418.247	4.786	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1	810685059	QKGQSOAUVGEKFS-UHFFFAOYSA-N	405.445	4.957	50	20	HJGD	
CON(C)C(=O)C1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	812962887	XWZWXZLDBHTCRJ-UHFFFAOYSA-N	417.400	4.608	50	20	HJGD	
O=C(NN=C1CC(c2ccc(Br)cc2)C1)c1cccc(Br)c1	814857818	YGAMHLCDAFMDPC-UHFFFAOYSA-N	422.120	4.875	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	816337535	YDXHWEYDWGZXPB-UHFFFAOYSA-N	421.350	4.797	50	20	HJGD	
COc1ccc(/C=C\C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1O	817015289	VRMIPBSOUMZURR-HYXAFXHYSA-N	420.309	4.595	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-n2cccn2)cc1	817016384	RZJQYWXSXZIDFG-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCOc2ccc(C(C)C)cc2)c1C	915710743	OAPJRUWUZILSRH-WQZUMXOESA-N	423.557	4.538	50	20	HJGD	
N#C/C(=C/c1ccc(OCCN2CCCC2)cc1)C(=O)c1c[nH]c2cc(F)ccc12	915991113	VDXDZNWUKQOCFW-AQTBWJFISA-N	403.457	4.571	50	20	HJGD	
N#C/C(=C/c1cc(Br)ccc1F)S(=O)(=O)c1ccc(Cl)cc1	916152839	ORIXZOHKYVPUFP-ZSOIEALJSA-N	400.656	4.580	50	20	HJGD	
COc1cc(C(=O)NN=C(C)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC	916290558	YIYCTZGBPGRTOB-UHFFFAOYSA-N	404.466	4.533	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(OC(F)F)cc1	916359500	DZWQZTIXXIUNLT-UHFFFAOYSA-N	400.381	4.614	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1	917217210	GFNUQJBCLCINCP-UHFFFAOYSA-N	409.829	4.545	50	20	HJGD	
Cc1noc([C@@H]2CCCN(C(=O)/C(C#N)=C/c3cc(C)n(C4CCCCC4)c3C)C2)n1	919851967	KQADNEAABXWGDV-DBRLUCFCSA-N	421.545	4.615	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)c1ccccc1C	1320277073	VYOZVLYJEVYXEN-SFQUDFHCSA-N	414.299	4.963	50	20	HJGD	
Cc1cnn(CC2CC2)c1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	1325337047	HZAQKTGMLCLGNY-JAIQZWGSSA-N	417.488	4.694	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2cccc(C(=O)O)c2)c1)C(=O)Nc1ccc(F)cc1	1326917857	YRANSWSMAWUNHH-YBFXNURJSA-N	416.408	4.649	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@](C)(Cl)CCl)CCC2)cc1	1786447422	VQKHRIZYRIGPHH-QAPCUYQASA-N	419.780	4.764	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1824613868	XIYILWZMYAGOLW-RTBURBONSA-N	414.993	4.686	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1	1824614389	MPVKKXHNJPNIAL-RMQQFATJSA-N	423.022	4.789	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1	7258117	LOLIGVORIBTLQP-UHFFFAOYSA-N	419.550	4.768	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2c(F)cc(Br)cc2[nH]1	303167878	GFWAZRKCMHPBJQ-UHFFFAOYSA-N	416.172	4.845	50	20	HJGD	
CC[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1OC(F)F	726705260	FJUUFGKRWHBQPI-AWEZNQCLSA-N	401.360	4.667	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C#N)ccc2OC(F)F)c(C)n1CC(C)C	728013870	FMJVDOYSVNUCIF-GIJQJNRQSA-N	412.440	4.780	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1csc(-c2cccs2)n1	728438925	CEUMYJDPGPRIAH-JYRVWZFOSA-N	411.508	4.783	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@H](c1ccccc1)C1CCCCC1	730118771	LVRVFMVXYDEHKR-JOCHJYFZSA-N	402.498	4.500	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC3CC3)cc2)c1C	733117713	PGVFPHVOEIOCCL-KKJJZKEWSA-N	407.514	4.647	50	20	HJGD	
C[C@H]1CCC[C@H](N2CCC(=NNC(=O)c3ccc(COc4ccccc4)o3)CC2)C1	733744820	SESOZLTWBMFGQK-ICSRJNTNSA-N	409.530	4.619	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(-c3ccccc3)nn(C)c2Cl)c1	734743745	IHTGZKRZEBXCBA-UHFFFAOYSA-N	424.932	4.701	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1csc(Nc2ccccn2)n1	736064216	GGRDUCHLYQMSMJ-UHFFFAOYSA-N	414.705	4.999	50	20	HJGD	
C[C@@H](CCC(C)(C)C)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	736258809	PKGZTNIJHIKLCN-BAOGPQIGSA-N	403.530	4.702	50	20	HJGD	
CCc1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)on1	741190093	DBKVHFKKNNLTOC-MFOYZWKCSA-N	408.889	4.521	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)c2ccccc2n1	743422117	RIMPWBGHCONSTD-SFHVURJKSA-N	423.900	4.518	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1	743442178	RYFSXWSUNJYVNX-WOJBJXKFSA-N	400.906	4.542	50	20	HJGD	
CC1(C)CCC(NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	743926249	YZVZNNJKESOUDU-INIZCTEOSA-N	422.900	4.929	50	20	HJGD	
CCC(CC)c1cc(CNC(=O)NNc2nc(Cl)c(Cl)cc2Cl)on1	745865906	CPVYTBWKSQRCCN-UHFFFAOYSA-N	406.701	4.760	50	20	HJGD	
CCCCNC(=O)NNC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34	746163984	BOXYCAQCRLBZPJ-UHFFFAOYSA-N	415.493	4.677	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1	748905431	IXCJMOFMOQBLIE-UHFFFAOYSA-N	413.430	4.651	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1	752739989	GWBJOFQWWWAKNZ-XFFZJAGNSA-N	424.304	4.902	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(=O)n(Cc2ccccc2Cl)c1	752812303	WFGBVEHZDQQKRX-UHFFFAOYSA-N	422.699	4.614	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=C2CC(c3cccc(Cl)c3)C2)c1	753922146	QEMUBOHMZZLBRH-UHFFFAOYSA-N	407.695	4.775	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc1	754321266	PJVYHIGBAHCXFG-OMNSNBSWSA-N	414.509	4.672	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(/C#N)C(=O)c2ccc(Br)s2)c1Cl	758931753	OPECOTCQDPUWLJ-XQRVVYSFSA-N	424.629	4.706	50	20	HJGD	
CCSCC[C@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762663969	GULMQLDTKMURLU-JTQLQIEISA-N	406.442	4.930	50	20	HJGD	
CC(C)CCn1nc(C(=O)NN=C[C@@H](C)c2cccc(Cl)c2)c2ccccc2c1=O	763354412	JKZOMSTVNPJBGX-MRXNPFEDSA-N	424.932	4.615	50	20	HJGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1c(Cl)cc(Br)cc1Cl	764402722	YMQYBRUDNXLBRZ-ZETCQYMHSA-N	420.138	4.733	50	20	HJGD	
Cc1cn(-c2ccccc2Cl)nc1C(=O)NNc1cc(C(F)(F)F)ccc1F	767099391	PJQFCAHHWHZMCF-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
CC(CCCC(F)(F)F)=NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	774333043	GEKFCZDYOSZAAD-UHFFFAOYSA-N	415.419	4.773	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cnc(C(C)(C)C)s2)c1C	774546375	ZOXUVBRUAUJKMR-QANDDYDISA-N	415.559	4.717	50	20	HJGD	
Cn1nc(C(F)(F)F)c(C=NNC(=O)c2cc3c(s2)CCCCCC3)c1Cl	781589007	ZLGAOPKBDTYWJT-UHFFFAOYSA-N	418.872	4.577	50	20	HJGD	
CC(=O)Nc1cccnc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	786639053	RXBJEAVJGXTPBN-UYRXBGFRSA-N	405.502	4.509	50	20	HJGD	
Cc1cccnc1NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1	791219798	VEJRZDRRXBQUJT-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(/C#N)c1nc(-c2ccc(C#N)cc2)cs1	801647410	CUFSLVHHSZDHPU-ODLFYWEKSA-N	408.490	4.944	50	20	HJGD	
CC(=O)c1ccc(NC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1	806086225	ZDECHJTZDYVUAF-UHFFFAOYSA-N	415.375	4.514	50	20	HJGD	
COc1cc(C(=O)NN=Cc2cscc2C(F)(F)F)ccc1OCCC(C)C	811634179	GCYJWVJFUXBMEQ-UHFFFAOYSA-N	414.449	4.964	50	20	HJGD	
CC(C)c1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1	914483482	ZCUXXEDWRPMTDA-HAHDFKILSA-N	423.520	4.811	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc(Cl)cc2OC)c(-c2ccccc2)cc1OC	915271497	YFZLZMUJLULMPD-UHFFFAOYSA-N	424.884	4.797	50	20	HJGD	
C[C@@H](Oc1ccc(F)cc1Br)C(=O)NNc1ccccc1C(F)(F)F	915292140	OIQKSSNTTIEOMC-SECBINFHSA-N	421.188	4.518	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3cccc(OCc4ccccn4)c3)cc2C1	915951928	LRYUCCFRUGGLMF-MRXNPFEDSA-N	405.523	4.611	50	20	HJGD	
CC(C)Oc1cccc([C@@H](C)NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1	916488683	GKUBJEQCIMPUKW-OAHLLOKOSA-N	415.559	4.509	50	20	HJGD	
CCCCN1C(=O)CC[C@@H](C(=O)NNc2cc(C)cc(C)c2)[C@@H]1c1ccc(OC)cc1	917155054	QFSKXXDHERXMOE-VWNXMTODSA-N	423.557	4.535	50	20	HJGD	
O=C(NNC(=O)c1cccc(F)c1Sc1ccccc1)c1ccccc1Cl	1319952620	LZPUUHFFPRMCMY-UHFFFAOYSA-N	400.862	4.705	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3nnc(-c4ccccc4)o3)o2)c1C	1324134817	PMDZNNRQKXVWLM-PDGQHHTCSA-N	400.442	4.679	50	20	HJGD	
Cc1ccc(Cn2ncc3c(C(=O)NNc4ccc(Cl)c(F)c4)cc(C)nc32)cc1	1339801558	BGMHBBBMYVGRLP-UHFFFAOYSA-N	423.879	4.646	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Br)CCC2)cc1	1789457879	DLYKQSSSGSAIJZ-QAPCUYQASA-N	419.363	4.672	50	20	HJGD	
Cc1ccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)s1	1791833039	DEADXCYDYAUTNS-QZEKMECESA-N	406.910	4.738	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OC(=O)c1ccccc1F	7155829	YFDRLGOUAIRWOU-QGOAFFKASA-N	401.393	4.843	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)n1	11274129	GTMUKZSCRJESFT-UHFFFAOYSA-N	401.392	4.613	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)c2ccoc2C)cs1)c1ccc(F)cc1F	17475729	MLIMCZAAUUNEOG-NTUHNPAUSA-N	413.405	4.797	50	20	HJGD	
CSc1ccc(COC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	23970078	BXGZQSDRVUCUNP-HNLWVNFGSA-N	410.539	4.656	50	20	HJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	206869209	FRJZRDSMUSZEEG-MDWZMJQESA-N	421.280	4.955	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)c1C	727335501	VYCPVRVKRBRELR-GZTJUZNOSA-N	412.465	4.768	50	20	HJGD	
COc1cc(C(=O)NNc2ccccc2Cl)cc(OC)c1OCc1ccccc1	732910968	LWTUCWKEMXFYCJ-UHFFFAOYSA-N	412.873	4.693	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1sccc1C	733745201	DVOVWYOJRPMQOB-UHFFFAOYSA-N	410.568	4.910	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(-c3ccsc3)nc2C)ccc1Br	734252897	DROTWGNHZBHJIP-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
Cc1ccc(OC2CCN(CCP(=O)(c3ccccc3)c3ccccc3)CC2)cc1	735078692	RKAVUNNIOWBZKE-UHFFFAOYSA-N	419.505	4.852	50	20	HJGD	
Cc1ccc(-c2ncc(C=NNC(=O)c3cccc(Br)c3)s2)cc1	741771047	YTECRZKHIRHFLA-UHFFFAOYSA-N	400.301	4.645	50	20	HJGD	
COc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1F	742006899	UWCRVAPAWIMUBV-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	746340311	FDQNXHNCKSIICL-LFIBNONCSA-N	404.388	4.666	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1	746883653	SQJYSEBXCXBMDO-UHFFFAOYSA-N	412.873	4.693	50	20	HJGD	
Cc1ccc(Cn2cc(C(=O)NNc3cccc(C#N)c3)c(-c3ccc(C)cc3)n2)cc1	748045700	CNSZFRSHLPDHME-UHFFFAOYSA-N	421.504	4.844	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1ccccc1Sc1ccc(Br)cn1	748087329	UDDUDXVOQBAUIQ-UHFFFAOYSA-N	418.291	4.891	50	20	HJGD	
CC[C@H](C)n1c(SCC(=O)NNc2ccc(F)cc2C)nnc1-c1ccccc1	748551977	RUQLPGJRDOAQAI-HNNXBMFYSA-N	413.522	4.599	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCCN(C(=O)[C@H](C)CC)C1	748673117	XBIKJPPGYFBLIB-QAPCUYQASA-N	401.576	4.608	50	20	HJGD	
CCc1nc(C(=O)NNc2cccc(Cl)c2)nn1-c1c(Cl)cccc1Cl	748706722	DOEHPPLZFAQYLT-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
CCCCc1ccc([C@H](NC(=O)NNC(=O)c2ccc(C)o2)c2cccs2)cc1	752835256	KLBSWRYLHLDHNV-FQEVSTJZSA-N	411.527	4.726	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)Nc1ccccc1SCC(F)(F)F	755593567	NUUQSMXSOWJEHE-UHFFFAOYSA-N	411.449	4.517	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3nc(Cl)cs3)cc2)cc1	758094363	ZKORFZNVYIPJTI-UHFFFAOYSA-N	415.902	4.538	50	20	HJGD	
COCCC1(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCC1	762672192	LGMZOIXJQYLWID-UHFFFAOYSA-N	416.412	4.606	50	20	HJGD	
N#C/C(=C/c1ccc(SC(F)(F)F)cc1)C(=O)N1CCn2c1nc1ccccc12	767899918	NVCQMNTVNZFBCS-KAMYIIQDSA-N	414.412	4.602	50	20	HJGD	
C[C@@H](c1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1)N1CCOCC1	770030792	MVRGMGFFGZSZET-ZDUSSCGKSA-N	409.317	4.535	50	20	HJGD	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1	775535519	AEUYOAZDEYVGEX-CQSZACIVSA-N	420.435	4.869	50	20	HJGD	
Cc1cc(NC(=O)NNc2ccc(C(F)(F)F)cn2)ccc1Oc1cccnc1	775561992	JINKNSRJDMSAHU-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)NNc3cccc(C(F)(F)F)c3)cc2)nn1	775640299	BLNYBUIBNOOFAB-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)CCCc2ccc3ccccc3c2)cc1	775782148	CJJGIJDIJJSKHW-UHFFFAOYSA-N	407.539	4.579	50	20	HJGD	
CC[C@H](C)n1nc(NC(=O)NNc2ccc(Br)cc2Cl)cc1C	776025579	CHBVEFMOVFIRMV-VIFPVBQESA-N	400.708	4.727	50	20	HJGD	
CCc1noc(CC)c1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782986682	ZTKHQOBXAZLSRS-UHFFFAOYSA-N	420.425	4.935	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)c(OC)s1)c1ccccc1	787141517	OJBNUROUHDKPLT-LRFDDAOPSA-N	405.317	4.694	50	20	HJGD	
CCc1cc(NNC(=O)CCC[C@@H](C)c2cccc(OC)c2)nc(-c2ccccn2)n1	790690049	MZMTZCRZGDWZNU-QGZVFWFLSA-N	419.529	4.527	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1nccc2sccc12	790719912	ZOCDUHBGUWRDTM-UHFFFAOYSA-N	412.515	4.719	50	20	HJGD	
N#C/C(=C\c1c(F)ccc(I)c1F)c1cnc2ccccc2n1	794944745	WDXIJZLKQYKNNR-JXMROGBWSA-N	419.172	4.577	50	20	HJGD	
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	799785690	NWDFTRIROJMQGZ-DLBZAZTESA-N	416.653	4.854	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cccc(C(=O)Nc2ccccc2)c1	802828667	DYZAUQNSYOWNOC-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)sc1-c1cccc(Cl)c1	803428229	WAUDYNWKNZBEEE-UHFFFAOYSA-N	409.898	4.975	50	20	HJGD	
C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	805110645	CCLLFWLZNNOVEQ-IUODEOHRSA-N	420.469	4.591	50	20	HJGD	
C[C@H](NCc1ccc(OCCCCl)cc1)c1ccc(NC(=O)NC2CC2)cc1	811474038	CMAWEEBKJOWDNH-INIZCTEOSA-N	401.938	4.829	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCCC(F)(F)C2)c(C)n1C[C@H]1CCCO1	814131734	KPADZBZURIFTTG-GUJZACONSA-N	419.516	4.523	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1	817015143	NQUCTYCZJJSSIX-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1C	897486181	OYUBPRBZXDORET-NVNXTCNLSA-N	402.401	4.637	50	20	HJGD	
Cn1ncc2c1CCCC2=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	915938270	DPXLFUWVPXKROD-UHFFFAOYSA-N	424.504	4.623	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C(/C#N)C(=O)Nc1nccs1	916150948	GRJCVUOAIFNYRH-JYRVWZFOSA-N	418.309	4.549	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)N[C@H]1CCSc2ccc(F)cc21	916221558	ZXXIWCQCQDKLGI-ZDUSSCGKSA-N	414.275	4.591	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(F)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1	916491820	IKUWFXKPBBSQCJ-HNNXBMFYSA-N	424.451	4.533	50	20	HJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1ccc(Br)o1	916657273	AOEZHMMBCBDYBB-UHFFFAOYSA-N	420.090	4.658	50	20	HJGD	
COc1ccc(Br)c(CNC(=O)CCCC[C@H]2CCSS2)c1	918111347	MCIQSGHQNVBQTP-AWEZNQCLSA-N	404.395	4.788	50	20	HJGD	
C[C@H](NC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(OC(F)F)cc1	918212490	IAAQNRABORSYME-QMMMGPOBSA-N	424.757	4.743	50	20	HJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCC(=O)N(C)C)n2)cc1	920398188	WSSGXDIQQNDHSB-XDHOZWIPSA-N	403.507	4.650	50	20	HJGD	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2ccncc2)cs1	920834167	XQOUSBZCCZCWKS-NTUHNPAUSA-N	400.366	4.779	50	20	HJGD	
C/C=C\COc1ccc(CCC(C)=NNC(=O)c2cncn2-c2ccccc2)cc1	1318010951	FFQHSVWVTKRAKX-LJXMXKSRSA-N	402.498	4.566	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cc(C)nc3cc(F)ccc23)cc1	1332333553	RUDCTNJEJBGJIK-UHFFFAOYSA-N	410.518	4.656	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1Cl	1337673107	ZKWQDYCESYJOGF-UHFFFAOYSA-N	406.294	4.793	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1	1790488918	OJOJEYLQVBCKRB-NHAYFPRASA-N	402.966	4.964	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cccc(F)c1Cl	1790667844	WZHCHHSBCWNJKM-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1	1827982428	RJEJJRVYNBAHEV-CVEARBPZSA-N	415.361	4.574	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(C)s2)CC1	1830314301	DJOSYAYBWYTBTK-RMQQFATJSA-N	423.022	4.707	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1OC	11295501	SEYSSIZEXAVSHK-OQLLNIDSSA-N	416.246	4.951	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc(Br)cc2F)cc1	15854706	IRZVXSOWZRKEPO-UHFFFAOYSA-N	424.339	4.562	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)c1c(Cl)cccc1Cl	728157787	HTIPIFBUGYFGHZ-WUXMJOGZSA-N	412.232	4.902	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H](Sc1ccc(F)cc1)c1ccccc1	730284597	OUQUYCRVGQTKCC-IBGZPJMESA-N	420.469	4.852	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C(N)=O)ccc2Cl)c(C)n1C1CCCCC1	732122913	ZPVXQDNCCADLGD-WOJGMQOQSA-N	424.932	4.908	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NNc3c(F)cccc3F)c12	735697865	MPHPNZBHVBJQDE-UHFFFAOYSA-N	401.461	4.653	50	20	HJGD	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	737767901	KBNPLFNDJREMKT-SNVBAGLBSA-N	419.230	4.652	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)cc1C	738556523	VPAIIDWVTQFMBR-CQSZACIVSA-N	409.477	4.834	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccn2)c(C)n1-c1cccc(Cl)c1	743723476	FTOOBMYJUHBKNN-JJBLJPBOSA-N	404.901	4.927	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2csc(-c3ccccc3C)n2)c(Cl)c1	743825149	VMAWDYVMEWPGNF-UHFFFAOYSA-N	400.891	4.547	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cccnc2Sc2ccccc2)cc1C(F)(F)F	746897320	UIZPJZJOCUVLRJ-UHFFFAOYSA-N	414.412	4.880	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1nccnc1-c1nc2ccccc2s1	747405375	COYBFLFRHUKZGO-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F	748584924	WNQROQJVOMCXEB-UKTHLTGXSA-N	405.332	4.558	50	20	HJGD	
CCOC(=O)Cn1ccc2cc(NC(=O)CCCC[C@H]3CCSS3)ccc21	748733816	VUTHXHXXOSDXTB-KRWDZBQOSA-N	406.573	4.857	50	20	HJGD	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1cc(F)c(F)c(F)c1	750247737	SVJUHMZQXSWSIC-SECBINFHSA-N	411.836	4.929	50	20	HJGD	
Cc1cccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)c1	752035662	PXIVFPCTUPZIDD-UHFFFAOYSA-N	412.493	4.574	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(COCc2ccccc2)cc1)c1ccccc1	756733181	NMRLRCKHVFXZOW-QHCPKHFHSA-N	417.509	4.750	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1C	758148102	DNZFVTWYLXAJRW-UHFFFAOYSA-N	410.930	4.650	50	20	HJGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	758418743	QZXJPYALWAIZNS-FKZYXTMDSA-N	404.249	4.724	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3nc(C)co3)c2)c1C	758878587	SULDMQLATVXBSJ-GVLJNOETSA-N	418.497	4.821	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cccc(Oc2cccc(C(F)(F)F)c2)c1	759293805	FVZZRACBLFORFF-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(C(=O)Nc2ccccc2)cc1	760123434	KEWBHJBMWZSPKU-UHFFFAOYSA-N	416.868	4.897	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4cc(C)ccc4F)cc3)o2)c1	760137022	MNGBYQQPKFESOY-UHFFFAOYSA-N	402.429	4.916	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@@H]1CCO[C@@]2(CCOC2)C1	762973412	XFKAMIZRACUYPB-DOMZBBRYSA-N	402.385	4.804	50	20	HJGD	
CNC(=O)CC1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762973612	CQPFQOZTRSQMDL-UHFFFAOYSA-N	401.401	4.724	50	20	HJGD	
N#C/C(=C/c1ccc(OCCBr)c(Cl)c1)C(=O)Nc1ccccc1	763101883	MTYWVJJNIOIQCV-UVTDQMKNSA-N	405.679	4.659	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cl)cc1	767717897	PIRYZOVFPFZPDK-MDWZMJQESA-N	418.678	4.607	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)cc2)c1	767903704	BBWJYAJFPCJKEI-UNOMPAQXSA-N	402.425	4.959	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1	768701341	FPYCAPKIVTXHDO-UHFFFAOYSA-N	413.264	4.596	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)c1	768704725	WXKKHOZWHMDPSX-UHFFFAOYSA-N	423.807	4.506	50	20	HJGD	
CCCCCCn1nc(C(=O)NNc2c(F)cccc2Cl)c2ccccc2c1=O	770203858	VNQNFFPAEUULPL-UHFFFAOYSA-N	416.884	4.526	50	20	HJGD	
C[C@@H](C#N)CSc1ccccc1NC(=O)NNc1ccc(Br)c(F)c1	771141975	COVTWNDWBNOVDL-NSHDSACASA-N	423.311	4.989	50	20	HJGD	
N#C/C(=C\c1cc(F)cc(C(F)(F)F)c1)C(=O)Nc1nc(-c2ccncc2)cs1	772808801	YTGISYRGSPEIFK-WLRTZDKTSA-N	418.375	4.909	50	20	HJGD	
CC[C@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C1CCOCC1	777983968	QPZOCHFXTLIDFH-AWEZNQCLSA-N	409.442	4.828	50	20	HJGD	
COCc1c(C(=O)NNc2ccccc2OC(F)(F)F)sc2cccc(F)c12	779210021	XTIDUXAAWHSYBI-UHFFFAOYSA-N	414.380	4.842	50	20	HJGD	
CCc1cc(=O)c2cc(NC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)ccc2[nH]1	781433037	VJMXPKZONZEGGX-GRSHGNNSSA-N	416.525	4.711	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)nc1	781520625	DEZHQLSZOHMOFB-UHFFFAOYSA-N	405.351	4.672	50	20	HJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	782522168	ACTQUGJUCNYPRG-VPDFPHFYSA-N	403.360	4.552	50	20	HJGD	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NNC(=O)C1CCC1	782579211	FYUBOUDWDAXBRD-UHFFFAOYSA-N	423.492	4.685	50	20	HJGD	
CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C12CCC2	782979623	IYRFQSYXBCVUKX-UONOGXRCSA-N	421.453	4.970	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(OC)c(OCCCC#N)c1)c1ccccc1	787144150	GWNGHKVGFNJZPX-LDVBQKTRSA-N	403.482	4.552	50	20	HJGD	
COc1cc(NNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)ccc1Cl	790171435	SZMCHEOXANEZRV-CCHVVGMOSA-N	402.844	4.941	50	20	HJGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cc(F)ccc1SC(C)(C)C	790288438	DQSQWGDCAUUPSE-UHFFFAOYSA-N	412.490	4.519	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccccn2)C2CC2)c(C)n1-c1ccccc1F	790896224	ZSQHTVWCEUIVJV-XSFVSMFZSA-N	414.484	4.726	50	20	HJGD	
O=C(NNc1nccc2sccc12)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1	793040674	FGQPSOJNLRASDG-UHFFFAOYSA-N	422.897	4.699	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1csc(-c2cccs2)n1	800427186	OGZLJBCPKUDNBJ-UHFFFAOYSA-N	422.919	4.854	50	20	HJGD	
O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)NNc1cc(F)c(F)c(F)c1	807258340	KOGXFLSJOPYDIC-UHFFFAOYSA-N	412.824	4.707	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2nccc(C(F)F)n2)c(C)n1C1CCCCC1	807891244	LXKPNAZXHBBZBR-BOPFTXTBSA-N	413.472	4.561	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2	813046656	FPUCMBGZVBAPHH-GOSISDBHSA-N	422.573	4.560	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2cccc(Cl)n2)cc1	817010138	NPWMPERPQAFKKB-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2c(-c3ccccc3)nc3sccn23)n1	920399337	TVNCDBQIOXGEGF-GXDHUFHOSA-N	406.492	4.760	50	20	HJGD	
O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)NNc1ccccc1C(F)(F)F	921244993	SJKZBFYBXZIBNG-ZDUSSCGKSA-N	412.843	4.511	50	20	HJGD	
Cc1ccc(Cn2ncc3c(C(=O)NNc4cccc(Cl)c4)cc(C)nc32)cc1	1248569075	YEODISJSCDSWTO-UHFFFAOYSA-N	405.889	4.507	50	20	HJGD	
COc1cccc(NC(=O)NNc2ccccc2OC(F)(F)F)c1Br	1343109440	HUGWDHWUBIWXKR-UHFFFAOYSA-N	420.185	4.505	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1	1791363773	QYDJBJQUFPCEAJ-YJBOKZPZSA-N	419.363	4.650	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C(C)C)CCC2)[nH]n1	1815323852	DHKQOTJPDGFRMK-NVXWUHKLSA-N	408.974	4.636	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c1C	15970248	YWGXMGANGPYNMA-CXUHLZMHSA-N	401.894	4.731	50	20	HJGD	
CCc1ccc(-c2csc(/N=C(O)/C(C#N)=C/c3ccoc3C(=O)OC)n2)cc1	28621420	QNCYXDDSKYFBFA-MHWRWJLKSA-N	407.451	4.947	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1csc(-c2ccccc2F)n1	727173349	UMOWLYCTGNBNEF-UHFFFAOYSA-N	414.531	4.704	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)CCc2ccccc2)c(C)n1C[C@@H]1CCCO1	727344075	WQHMRTXEFPKKTD-ZBDCHNAPSA-N	419.569	4.719	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1c(Cl)cccc1Cl)[C@@H]1CCc2ccccc21	727847272	VEOLSRDVGJZXPM-QGZVFWFLSA-N	406.313	4.747	50	20	HJGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	727865257	LEDPYHLBEDCLKP-UHFFFAOYSA-N	414.383	4.631	50	20	HJGD	
COc1ccc(O)c([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	729534867	DZWNVQMYPNIFLF-XNHPLOEXSA-N	409.530	4.650	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1	730830963	UUAVHVPFVPTVOI-MRXNPFEDSA-N	422.554	4.695	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3ccc(Br)c(C)c3)cs2)c1	734251604	TWQWXSRAKUGENS-UHFFFAOYSA-N	416.344	4.875	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c(Cl)c1	745310193	ASMNFQREGHIOII-OAQYLSRUSA-N	422.916	4.968	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc(C#N)cc1	749063706	PGGRWKMCAUVDBB-SDLXJUDFSA-N	421.460	4.547	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cn(-c2cccc(Cl)c2Cl)nn1	754683505	CLBCGMHWEDODAF-ZROIWOOFSA-N	412.280	4.737	50	20	HJGD	
Cn1ccc([C@@H](NC(=O)CCCC[C@@H]2CCSS2)c2ccc(Cl)cc2)n1	762678840	IAAQODSZPCJONN-APWZRJJASA-N	410.008	4.993	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1cc(-c2cccs2)nc2ccccc12	766675855	XRNUJUKKHBQBFI-UHFFFAOYSA-N	403.492	4.725	50	20	HJGD	
CCc1nc(-c2ccc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc2)n[nH]1	770746282	MHXPWBPIBUZEOZ-UHFFFAOYSA-N	410.692	4.751	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)ccc1NC(=O)OC(C)(C)C	772476962	YIKDCHYXOKUZEC-UHFFFAOYSA-N	416.425	4.574	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)Nc1ccc2nc(Cc3ccccc3)oc2c1	775667880	HHSVGXIIRYMQTO-UHFFFAOYSA-N	410.437	4.510	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cccc(NC(=O)c2cccs2)c1	779208813	CBMGRDQJOXIZEC-UHFFFAOYSA-N	421.400	4.656	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccc(O)cc23)c(C)n1C[C@H]1CCCO1	782751199	SEHVIUARQOWTTK-FNUHDPNESA-N	415.493	4.688	50	20	HJGD	
O=S(=O)(Nc1cnc(C2CC2)nc1)c1ccc(S(F)(F)(F)(F)F)cc1	782909730	CRMOXWPVEGZHDN-UHFFFAOYSA-N	401.382	4.812	50	20	HJGD	
CCc1nc(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cs1	782979400	MPAQDTSFKLEYRG-UHFFFAOYSA-N	422.466	4.884	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl	783445886	BCQKALSRJDUQFP-UHFFFAOYSA-N	413.836	4.662	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCO2)C(=O)c1ccc(Cl)s1	783686937	BXHXBVZNSPUCHJ-BJMVGYQFSA-N	410.676	4.725	50	20	HJGD	
CSCCCCCCNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	784458687	DWJGGLXIXHAVCT-UHFFFAOYSA-N	400.548	4.613	50	20	HJGD	
N#C/C(=C/c1cc(Br)c(Cl)s1)C(=O)NCc1ccc(F)cc1F	790101244	XHTAYQRAQYJKBA-OQFOIZHKSA-N	417.662	4.666	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cnn(CC)c2C(F)(F)F)c1C	798545122	XYNGLHSDWYBOHJ-MHWRWJLKSA-N	407.440	4.686	50	20	HJGD	
COCCCOc1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1OC	806623756	UZHGYTKYGUHSGN-UHFFFAOYSA-N	414.289	4.566	50	20	HJGD	
C=CCC(C)(C)CNC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	815796518	ZLCPWCNJSTWFRG-HNNXBMFYSA-N	408.873	4.563	50	20	HJGD	
C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	844131254	LRTCMBCUFYVPEV-ZNCULLJESA-N	424.482	4.878	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1cc(Cl)ccc1OC(F)F	915950241	FHRQQXPQTZVNML-UHFFFAOYSA-N	402.825	4.713	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc3ccccc3c3cccnc23)c1C	916163891	DWRUIDKROANGPU-UHFFFAOYSA-N	400.507	4.636	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cnn(-c3ccc(Br)cc3)c2)c1C	917145410	RTTAUUBOAALQTR-YVLHZVERSA-N	421.298	4.797	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccc(OCC(F)(F)F)cc2)cc1	918976711	MSYRQNNOZAKHRK-BOPFTXTBSA-N	405.372	4.677	50	20	HJGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1	1317744270	RBFBDHZQXGXRDV-MFOYZWKCSA-N	419.506	4.995	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)ncn1	1347600138	HUENDTUFOQHVGQ-UHFFFAOYSA-N	422.488	4.795	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@]3(F)CCCCC3(F)F)CCC2)cc1)[C@H](F)Cl	1788584692	HSLAAAYSEKNHTP-KBXCAEBGSA-N	420.834	4.573	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(C)s2)[nH]n1	1820861255	VTWJYXZHNFVUJC-PRHORXKJSA-N	420.966	4.503	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1	1824611248	INABWLYMXRWDQR-WWTANLFGSA-N	423.022	4.789	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C)CC1	1824617324	ROYGFBAQZZTNAM-SFTDATJTSA-N	404.982	4.636	50	20	HJGD	
O=C(/C=C/C1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)C(Cl)Cl)CC1	1831879280	XDVPMOQPCNMWFZ-QZEKMECESA-N	415.405	4.546	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)cc1	211706935	OOHAAQBASGABSM-SILNSSARSA-N	418.493	4.511	50	20	HJGD	
Cc1cccc(NNC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)c1	217887135	NWBCFNOVDHGFAX-UHFFFAOYSA-N	423.476	4.805	50	20	HJGD	
O=C(/C=C\c1cccc(OC2CCCC2)c1)NNC(=S)Nc1cccc(Cl)c1	727865346	QGRMBWJDQUXPGA-QXMHVHEDSA-N	415.946	4.692	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1nc(-c2ccccc2)no1	728079870	KCJXMMLAOHCJQW-UHFFFAOYSA-N	417.903	4.640	50	20	HJGD	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNC(=O)CC(C)(C)C	728431631	ZNAODYLTMQQMTB-UHFFFAOYSA-N	400.832	4.739	50	20	HJGD	
COc1cccc(COc2cccc(Cl)c2C=NNC(=O)c2cccc(C#N)c2)c1	728781649	SNILPEBOIMVQAA-UHFFFAOYSA-N	419.868	4.563	50	20	HJGD	
COc1ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)c(Cl)c1OC	730430048	BHCOJCUWOXDNGN-UHFFFAOYSA-N	424.884	4.553	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cs1)C1CC1	734307321	XBJIDLPYEPHSGH-YRNVUSSQSA-N	421.309	4.511	50	20	HJGD	
O=P(CCN1CCS[C@@H](c2ccccc2)C1)(c1ccccc1)c1ccccc1	735494882	JMSVJEQHCVXYGB-XMMPIXPASA-N	407.519	4.791	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCC[C@H]2c2ncon2)c(C)n1C1CCCCC1	737615165	GDVQCQBGGHMVGM-FNGUVFISSA-N	407.518	4.654	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1	741472187	TZYWATVTTGUJCW-HKWRFOASSA-N	411.461	4.866	50	20	HJGD	
O=C(NCc1ccco1)NNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1	741675696	LUBGMQISXRFBMQ-UHFFFAOYSA-N	420.252	4.523	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2)cc1	742096400	DLIBYQJAURDWSN-VKAVYKQESA-N	408.454	4.945	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	743059067	QZFBZARKXDNASS-XNTDXEJSSA-N	410.355	4.833	50	20	HJGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743619963	VYDWREYXLDWMNQ-PZJWPPBQSA-N	424.545	4.531	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Cl)nc2)c(C)n1-c1cccc(Br)c1	743815217	WFVJPTBYSLHKCI-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCc3c(NC(C)=O)cccc32)c1C	743833015	NRTCPEREWGZDHS-QNGOZBTKSA-N	418.541	4.750	50	20	HJGD	
Cc1nccn1CCCN(C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	747215290	UYYMTTIXNOOAKP-OAHLLOKOSA-N	420.888	4.965	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccccc2OCc2ccc(Br)cc2)c1	748035215	WWXLXBVMMQNFBA-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(N2CCc3ccccc3C2)cc1	748637600	UHEQNMNFRREVAB-UHFFFAOYSA-N	409.436	4.608	50	20	HJGD	
O=C(NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cc2ccccc2o1	749839850	IVICDMNTGGFHHF-HSZRJFAPSA-N	409.445	4.773	50	20	HJGD	
Cc1ccc(SCC(=O)NNC(=S)Nc2ccccc2-c2ccccc2)cc1	750976721	IYMGFEPDGQSELL-UHFFFAOYSA-N	407.564	4.772	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cccc(C(F)(F)F)c1F	753177242	WJFHFWFVCNYJBN-UHFFFAOYSA-N	405.189	4.926	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(C#N)c(Cl)c2)cc1NC(=O)Nc1ccccc1	753317400	UGNRKDZYKTYBQC-UHFFFAOYSA-N	419.872	4.921	50	20	HJGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)n1	753453130	ZPVJJECPQMGYOB-UHFFFAOYSA-N	414.705	4.504	50	20	HJGD	
N#C/C(=C\c1cc(Cl)ccc1F)c1nc(O)c2cc(Br)ccc2n1	753682104	ANEMQQQUVXQHDH-BJMVGYQFSA-N	404.626	4.955	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)c1	754220628	MTSWZJZEWJBEMA-UHFFFAOYSA-N	424.353	4.673	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ncnn2CC(C)C)c(C)n1C1CCCCC1	754437910	PPTUQPUQCYWPNP-RGVLZGJSSA-N	409.534	4.508	50	20	HJGD	
CCOc1cc(C(=O)NN=C[C@H](C)c2ccc(F)cc2)cc(OCC)c1OCC	756870256	IZFVSHQDJJLIKU-HNNXBMFYSA-N	402.466	4.541	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)c2ccc(OC)c(Cl)c2)c1C	757774325	ROMCIHWPULPYAU-PACYTGELSA-N	415.921	4.544	50	20	HJGD	
O=C(CNC(=O)c1ccc(F)cc1F)Nc1cccc(S(F)(F)(F)(F)F)c1	762603354	BSHLCTVDMVRSMH-UHFFFAOYSA-N	416.318	4.991	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(C(F)F)cc2)c1C	764490739	XCRMFASDZUPIQW-RKQRPNFGSA-N	402.441	4.900	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)ccc1OC	765612732	DLBMTBCJMVLICG-MDWZMJQESA-N	403.232	4.829	50	20	HJGD	
CC[C@H](C)n1ncc(NC(=O)NNc2ccc(F)cc2Br)c1C1CC1	770086768	HTYRHSKQDAMVNF-JTQLQIEISA-N	410.291	4.782	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ncc(Cl)cc3Cl)c(F)c2)cc1	775273763	QMXDHCNAWJCSHN-UHFFFAOYSA-N	406.244	4.960	50	20	HJGD	
O=C(NNc1ncc(F)cn1)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F	775567724	FJLLTNMTRYUTNY-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)nc1	781536170	SUMPALTZZUCNLV-UHFFFAOYSA-N	422.535	4.749	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2noc(-c3ccccc3)n2)c1C	784634581	IOVYWGUNYLZAQH-VJOZSWGJSA-N	404.470	4.776	50	20	HJGD	
CC(=NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C1CCC(F)(F)CC1	788703787	QXVQXDICYFFFGK-UHFFFAOYSA-N	423.467	4.866	50	20	HJGD	
N#C/C(=C/c1cnc(-c2ccc(Cl)cc2)s1)C(=O)NCc1ccc(F)cc1F	789147040	FSWPSPUPLVULTA-AUWJEWJLSA-N	415.852	4.965	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2oc3ccccc3c2C)c1C	791448764	IWRPSAXIXORIMY-IZQLPPHKSA-N	405.498	4.590	50	20	HJGD	
O=C(CCc1cnc2ccccc2c1)NNc1ccc(Br)cc1Cl	792267871	SROJLFDCZJLEHG-UHFFFAOYSA-N	404.695	4.727	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1nc2ccccc2[nH]1	798113485	HWCSTFXZYDRKIW-UHFFFAOYSA-N	402.241	4.590	50	20	HJGD	
C[C@H](C(=O)NNc1c(Br)cccc1Br)c1ccsc1	801502744	WFZBOMFXXKVVIP-QMMMGPOBSA-N	404.127	4.520	50	20	HJGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCO1	802072945	ULPJUDOLQRNLCI-YGRLFVJLSA-N	422.740	4.641	50	20	HJGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211088	LPYBCGFRJSOBOQ-HUUCEWRRSA-N	418.444	4.779	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(F)c2Cl)c(C)n1C[C@H]1CCCO1	809195974	NKJMRYZIUIJWOL-BRVCPTFNSA-N	401.869	4.622	50	20	HJGD	
CC[C@H](c1ccccc1OC)N(C)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	809281462	YDZRABARQTYUOG-UBTJMGRZSA-N	423.557	4.838	50	20	HJGD	
Cn1c(NNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)nc2ccccc21	816580030	PEIDGMJHCXNLKL-UHFFFAOYSA-N	406.873	4.563	50	20	HJGD	
CCOc1c(Cl)cc(C(=O)NNc2ccc(OC)cc2C(F)(F)F)cc1OC	816702220	DLMOQQXVIJMVTA-UHFFFAOYSA-N	418.799	4.532	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccccc3C)c3ccccc3n2)cc1OC	865538656	WKNNIIBPCQMJIM-UHFFFAOYSA-N	413.477	4.984	50	20	HJGD	
N#C/C(=C\c1cc2ccccc2nc1N1CCCCC1)C(=O)Nc1ccc(F)cc1	915842262	HYUIZVLMYYTXCI-XDJHFCHBSA-N	400.457	4.910	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3)o2)cc1OC	915983702	FYBZAKMVOSIEDU-HKWRFOASSA-N	416.477	4.538	50	20	HJGD	
N#C/C(=C/c1csnn1)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	915985990	RTDZBBJLQQBFBT-BAQGIRSFSA-N	408.295	4.514	50	20	HJGD	
CCOc1cccc2cc([C@H](C)NC(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)oc12	916201230	IURRCUZUVLLZCB-HNNXBMFYSA-N	423.513	4.834	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NNC(=O)c1cccc(N(C)C)c1	916280915	MTTSMNIEUVWMSK-UHFFFAOYSA-N	423.520	4.678	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2c(OC)ccc3ccccc23)cc1OC	916348369	KVRFOXCBANETSR-UHFFFAOYSA-N	406.482	4.800	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccccc1F	916645753	QMTDFXARZTXSQG-UHFFFAOYSA-N	418.403	4.647	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)c2ccncc2)c(C)n1CC(C)C	917370402	UVPWQDALJJRFNH-JIOFHBDDSA-N	412.537	4.969	50	20	HJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1	918735303	HFUQCHJRUZEGEM-NDENLUEZSA-N	413.477	4.655	50	20	HJGD	
O=C(Nc1cc(C(F)(F)F)cnc1O)NN(Cc1ccccc1)c1ccccc1	920061103	DGKHPKDJHZFLJC-UHFFFAOYSA-N	402.376	4.549	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccccc3Cl)c3ccccc3n2)o1	1321876045	LEPSACGLRBZYCO-UHFFFAOYSA-N	405.841	4.531	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3cnc(C)s3)CCC2)cc1	1786446486	KPVXWOFIJIKRBE-GOSISDBHSA-N	419.978	4.536	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nc(Cl)ccc3F)CCC2)cc1	1790488068	SEWHFMAINADALU-CQSZACIVSA-N	424.303	4.639	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc(OC)c3F)cc2)CCC1	1792203732	RGSWKQYLEFDGDC-KRWDZBQOSA-N	418.896	4.599	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1	1820592111	QPOHLTPMQAALSH-PKOBYXMFSA-N	416.953	4.856	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2C)CC1	1829945306	IKBDTMUCLIVWKY-FCHUYYIVSA-N	419.009	4.944	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(C)cc2)CC1	1831530771	XUEANBBMVJPXPZ-YUXAGFNASA-N	419.009	4.736	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3c(s2)CCCCC3)c1C	105529529	JKJTZIBYUWJJRY-GZQZNAIASA-N	412.559	4.583	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc1	214391002	RJIKZQHYNXYRBH-UYRXBGFRSA-N	406.482	4.606	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc([C@H](C)O)cc3)c2C)cc1	726193164	JWZIUJDDFCGQIH-PGLVWIQMSA-N	413.521	4.679	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	727263498	BDBYQJNGHNBBGX-AUWJEWJLSA-N	420.271	4.515	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C[C@@H](c1ccccc1)C(F)(F)F	728613646	CSQCANDRYROFMJ-INIZCTEOSA-N	409.477	4.611	50	20	HJGD	
Cc1ccc(C(=O)CCC(=O)CCC(=O)NNc2cccc(C(F)(F)F)c2)s1	728716535	QZSUFGSMBOHOPR-UHFFFAOYSA-N	412.433	4.531	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cc(C)c(C(=O)O)o3)cc2)c1	729937253	PMRINJMFNICMMO-PDGQHHTCSA-N	416.433	4.719	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(Cc3ccccc3)ns2)c1C	730513596	KHMAEYZJDJZTTJ-UYRXBGFRSA-N	405.527	4.503	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)C(=O)O)cc1)c1nc(-c2ccc(C#N)cc2)cs1	730730087	UBTRYVWDHVKTRE-SXGWCWSVSA-N	423.400	4.802	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1csc(C2CC2)n1	731477282	BJMPEQJEINAILW-UHFFFAOYSA-N	406.227	4.559	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1Br	731938563	VDRHIOVTZGICHG-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NNc1ccc(F)cc1F	733361924	IXJGKIRWKXTLEL-UHFFFAOYSA-N	422.410	4.642	50	20	HJGD	
C[C@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(C)(C)C	734337763	ZDPLFVZSJGTZTO-UWCCDQBKSA-N	423.948	4.823	50	20	HJGD	
Cn1nc(-c2ccccc2)c(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1Cl	734753646	ZKRLZONNTHKIGW-LFIBNONCSA-N	418.305	4.732	50	20	HJGD	
O=C(/C=C\c1nc2ccccc2s1)Oc1ccc([N+](=O)[O-])cc1Br	739317786	RZDSMAGYTJMLPK-FPLPWBNLSA-N	405.229	4.586	50	20	HJGD	
CC[C@H](c1ccncc1)N(CC)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	739660954	NBCRIKOOFKIDNY-OPFBELNWSA-N	408.546	4.614	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ccc(OCc2cccnc2)cc1	746749547	BZIDJWPGBOJAGN-CQSZACIVSA-N	414.868	4.840	50	20	HJGD	
O=P(CCN1CCC(OC2CCCCC2)CC1)(c1ccccc1)c1ccccc1	747837186	BQIOLUPHOUBJTN-UHFFFAOYSA-N	411.526	4.814	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1	748563020	OUSATRMJHPYNMA-UHFFFAOYSA-N	400.457	4.803	50	20	HJGD	
COc1ccc2sc(C(=O)NNc3ccc(OCC(F)(F)F)cc3)c(C)c2c1	748694595	PBGOLRODJFYGHT-UHFFFAOYSA-N	410.417	4.916	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(C)n(-c2nccs2)c1C	753176471	UQNCIRJRNSWLDQ-UHFFFAOYSA-N	419.348	4.632	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c(Br)c1O	761015442	MJFIJGFRFYCDCT-PTNGSMBKSA-N	423.266	4.862	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C1(c2ccc(Br)cc2)CC1	761584716	LJVCIXPJOMFFLT-UHFFFAOYSA-N	415.209	4.523	50	20	HJGD	
O=C(NCCc1cccc(F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762635045	MYMDOAAPTLNRKG-UHFFFAOYSA-N	412.355	4.781	50	20	HJGD	
O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762641140	NQCQVWIIBGCIQR-ZETCQYMHSA-N	413.195	4.593	50	20	HJGD	
Cc1ccncc1[C@@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762672345	RBCCMDXQYSNHHB-LLVKDONJSA-N	409.380	4.863	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@@H]1CCCCC12OCCO2	766325106	AXSCFRWCCXCJPF-ZIAGYGMSSA-N	424.872	4.713	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=CC1CCC(C(F)(F)F)CC1	767366502	LLITZNTWJDBJNW-UHFFFAOYSA-N	401.479	4.859	50	20	HJGD	
CC[C@H](C#N)Oc1cccc(CNC(=O)NNc2c(Cl)cc(F)cc2Cl)c1	768078412	MNBKRVNQXKKHLQ-CYBMUJFWSA-N	411.264	4.640	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(CCC(=O)NNc3c(F)cccc3Cl)c2C)cc1	770190497	ITSPGFUVBOOFTN-UHFFFAOYSA-N	414.912	4.725	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1nnc(-c2cccc(Cl)c2)s1	775817678	HFKNULQBIJWFPH-UHFFFAOYSA-N	415.693	4.709	50	20	HJGD	
Cc1ccc2nc(COc3cccc(C(=O)NNc4ccc5ccccc5n4)c3)cn2c1	777462201	CVCBTEQOPZZBLI-UHFFFAOYSA-N	423.476	4.527	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NNc3ccc4ccccc4n3)c12	777463880	WBFYKBCHPKTMQD-UHFFFAOYSA-N	414.513	4.677	50	20	HJGD	
Cc1ccc(Cl)cc1NC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	778233068	IXIRPHABQVIOMT-UHFFFAOYSA-N	422.798	4.668	50	20	HJGD	
COc1ccc2nc(/C=C(\C#N)c3nc(O)c4c5c(sc4n3)CCCC5)sc2c1	788733243	RSKHKZKKYHPEJW-DHZHZOJOSA-N	420.519	4.958	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	791149568	HQKJDKAOMVPBAY-OLZOCXBDSA-N	412.446	4.537	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cc(F)c(F)cc1C(=O)c1ccccc1	793780191	PORUJEWSCSCFIA-UHFFFAOYSA-N	403.388	4.501	50	20	HJGD	
COCc1nc(C(=O)NNc2cccc(C(F)(F)F)c2)c(-c2ccccc2)s1	799705021	PSMLMNPNIAWDRI-UHFFFAOYSA-N	407.417	4.732	50	20	HJGD	
CCOC(=O)/C(=C\c1cccc(CCl)c1)c1nc(O)c2c(C)c(C)sc2n1	799890776	XXYCTCGQKKOKMF-DHDCSXOGSA-N	402.903	4.856	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC23CCOCC3)c(C)n1C1CCCCC1	800195774	OWUHZUYGHHSWIS-HWYOBBEWSA-N	409.574	4.983	50	20	HJGD	
C[C@@H](CO)N(CC1CCC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	800940183	FMWPWHCXHQKMSP-NSHDSACASA-N	409.442	4.516	50	20	HJGD	
C[C@@H](C(=O)NNc1c(Br)cccc1Br)c1ccccc1F	801503626	LMRFOCGTUMNXOP-SECBINFHSA-N	416.088	4.598	50	20	HJGD	
C=CC[C@@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccccc1	804206516	HSDSNMDTAVPFJN-GOSISDBHSA-N	412.415	4.965	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc(OCc2ccccn2)c(Cl)c1	806240145	ULKYUHUWDDEHFW-UHFFFAOYSA-N	424.892	4.520	50	20	HJGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(N2CCCOC2=O)cc1	814356163	UAPISJYAFAICFC-YJBOKZPZSA-N	408.589	4.925	50	20	HJGD	
C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	814727485	PWSSCDNBRRSXAA-YOEHRIQHSA-N	414.889	4.526	50	20	HJGD	
O=S(=O)(NC[C@H](CO)C1CCCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	815074922	ITDSBYSKHRBAPB-CYBMUJFWSA-N	423.469	4.811	50	20	HJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1cc(C(F)(F)F)ccn1	857514562	RHOCUFKKVRMDLW-UHFFFAOYSA-N	407.417	4.985	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2F)C(C)C)c1C	914502371	RSVCQXLZBNCXDV-AIRTYWKNSA-N	411.521	4.796	50	20	HJGD	
CCN(Cc1ccccc1NC(=O)NN(Cc1ccccc1)c1ccccc1)C(C)=O	915350591	ZLSMKOBCXJXLKU-UHFFFAOYSA-N	416.525	4.798	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)[C@@H](C)c1ccc(F)cc1	916486219	DGHHCAVEGOQXSR-SYMRHICGSA-N	411.521	4.968	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc3ccccc3c2)cc1OCc1cccnc1	917545673	WYSGWZFABXTASC-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
Cc1c([C@H](C)NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)oc2ccccc12	918082120	KJLSYNFJCCGHIK-AWEZNQCLSA-N	411.527	4.777	50	20	HJGD	
N#Cc1ccc(Cc2cnc(NC(=O)NNc3ccccc3C(F)(F)F)s2)cc1	920928971	SVZMYOYWAUAPSL-UHFFFAOYSA-N	417.416	4.773	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1ccccc1Cl	1248410811	OHXAUZNLAPEEPA-UHFFFAOYSA-N	407.688	4.905	50	20	HJGD	
O=C(NN=Cc1ccc(OC(F)F)cc1OC(F)F)c1ccc2ccccc2c1	1323444966	RJMAJDBDNNALTG-UHFFFAOYSA-N	406.335	4.807	50	20	HJGD	
O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	1338307447	BLPWSDRIFLGGRW-OXQOHEQNSA-N	404.601	4.675	50	20	HJGD	
O=C(CCCc1ccccc1F)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788579936	GVAOITKLYWCHSK-HXUWFJFHSA-N	420.887	4.817	50	20	HJGD	
COc1cc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)ccc1C	1790320045	BOVIEVZPJQZWCU-UHFFFAOYSA-N	421.324	4.555	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCSC3)cc2)CCC1	1792285701	LIXZQGGSOQJECF-MAUKXSAKSA-N	408.995	4.671	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cnc3c(cnn3C(C)C)c2)c(C)n1CC(C)C	209213563	ARASAALCYAJNPU-UWVJOHFNSA-N	404.518	4.632	50	20	HJGD	
CCOc1ccc(C(=O)NN=C(C)c2csc(-c3csc(C)n3)c2)cc1OC	729144425	WIGRPXRSSFXUBY-UHFFFAOYSA-N	415.540	4.741	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1C	730587360	KPTIILULOUBEJS-CABCVRRESA-N	408.354	4.732	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1	732000230	GRLMMFKMRMKETI-VIFPVBQESA-N	421.111	4.650	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c(OC(F)F)c1	734094920	JALXTPHCZOLQQB-WQLSENKSSA-N	423.213	4.605	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3ncccc3C(F)(F)F)c2c1	740093219	JVIDVIUGRWFVKW-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccncc1	741587652	WSPHBYPEIOZVIW-CBIIRDDDSA-N	402.473	4.803	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc2[nH]c3c(c2c1)CCCC3	742108137	HFQGITDVZCOEHT-UHFFFAOYSA-N	420.257	4.844	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccccc1C(F)(F)F	743540595	RUYAGKMLCOHKGK-CYBMUJFWSA-N	401.388	4.564	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2(c3cccc(F)c3)CCOCC2)c(C)n1CC(C)C	744378127	VJUKAFRMKJFWNJ-BKUYFWCQSA-N	423.532	4.629	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cccnc1Sc1ccccc1	748073803	APONGCGNFIZFLO-UHFFFAOYSA-N	418.291	4.891	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)cc1	750112997	OFILRRQXGIBZJI-AUWJEWJLSA-N	416.264	4.690	50	20	HJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ccc(-c4ccccc4)nn3)c2c1	754471490	XZRIDXGSRPQQTH-UHFFFAOYSA-N	409.493	4.943	50	20	HJGD	
CC(C)Oc1cccc(CN(C)CCP(=O)(c2ccccc2)c2ccccc2)c1	756641758	GFVRHFIQFLRLBE-UHFFFAOYSA-N	407.494	4.920	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)n1	765999904	GRIJMIYMSJMAFI-UHFFFAOYSA-N	402.882	4.794	50	20	HJGD	
CCCN(C(=O)c1cccs1)C1CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CC1	769943507	SSRJJCDJFUSBNY-ZBKNUEDVSA-N	424.526	4.538	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2ccc(Br)c(F)c2)s1	771682177	IPKWWVRILPYLIV-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1Br	774116871	BFBJYVONROYZFL-YRNVUSSQSA-N	406.623	4.556	50	20	HJGD	
CCCN(CCC)C(=O)c1cccc(C(=O)NNc2nc3ccccc3cc2C)c1	777476439	FZGRRGQMSVYIGW-UHFFFAOYSA-N	404.514	4.562	50	20	HJGD	
CC1(C)C[C@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C(C)(C)O1	778059765	YMPPPSVQLTZAIQ-LBPRGKRZSA-N	409.442	4.968	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NNc3cc(Cl)ccn3)s2)cc1	778670142	NHSMHUJYCDSUCQ-GFCCVEGCSA-N	417.922	4.563	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1	793034510	GUOUMCJPANIIKH-UHFFFAOYSA-N	422.897	4.699	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccnn1CC1CC1	807473764	NGKZGJVPHZATAR-UHFFFAOYSA-N	410.368	4.528	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)Cc1ccc2ccccc2c1	915975612	FCUKAWYAVOTDDV-UHFFFAOYSA-N	402.885	4.680	50	20	HJGD	
O=S(=O)(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(CCCl)cc1	917861523	CNHOESNETQTXTP-IBGZPJMESA-N	409.935	4.736	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ncc(-c3ccccc3)o2)c1C	918114407	IZRHBOFNFOPSCS-FYJGNVAPSA-N	402.498	4.783	50	20	HJGD	
COc1ccc(CCC(=O)NNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1	919832713	GPOKCSVXUNAJQA-UHFFFAOYSA-N	423.321	4.611	50	20	HJGD	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN(C)C(=O)OC(C)(C)C)cs1	920381047	JPPSWXCNYDMNCE-UHFFFAOYSA-N	408.911	4.682	50	20	HJGD	
CCCNC(=O)NNC(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1	921042565	AFODLRYIRFCAPM-UHFFFAOYSA-N	412.342	4.640	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1	1789356964	INXQZCRYRYDBJJ-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
C#CCCCC(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845125265	IHFUKWLAPXGRHE-UHFFFAOYSA-N	409.014	4.743	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nc3ccccn23)cc1	102926604	QJPKKOOLUSOECX-MNDPQUGUSA-N	408.461	4.946	50	20	HJGD	
Cc1cccc(-c2cccc(CNC(=O)NNC(=O)c3cc(C)nc4ccccc34)c2)c1	726851703	VLLTXHXRBHNCFO-UHFFFAOYSA-N	424.504	4.663	50	20	HJGD	
COc1ccc(S[C@@H](C)C(=O)NNc2ccc(Br)cc2Cl)cc1	729276699	KOFQXBQGPIIAJC-JTQLQIEISA-N	415.740	4.735	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](N3CCCCC3)C2)c(C)n1C1CCCCC1	730795198	VHROHUMYUBNMIE-KZVLXBEFSA-N	408.590	4.604	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)N(CC(F)(F)F)C1CC1	732715146	MMLRVGCMFXLVGI-LDADJPATSA-N	400.400	4.726	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccc(Cl)s1	734070336	XVKADWUUHUOPQY-GFCCVEGCSA-N	418.371	4.629	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)Cc3c(C)noc3C)c2C)c1	737664510	FFYXJXCMEJFTAB-QLPFJNHISA-N	416.525	4.662	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(N3CCCCCC3)c2)c1C	740801273	UEOVSTNCYACWHD-CJLVFECKSA-N	420.557	4.677	50	20	HJGD	
CC(C)CCC(=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1	741768528	WORMSDIUQHYSRL-UHFFFAOYSA-N	421.950	4.706	50	20	HJGD	
Cc1c(NNC(=O)c2ccccc2Sc2ccccc2C#N)cccc1[N+](=O)[O-]	748670210	PMAHSTZFMDTJKS-UHFFFAOYSA-N	404.451	4.683	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1cc(NCc2ccccc2)nc2ccccc12	750236311	PPSCIWALIXMVRH-UHFFFAOYSA-N	420.476	4.547	50	20	HJGD	
COc1ccc(-c2noc(CCCC(=O)NNc3cc(Cl)ccc3Cl)n2)cc1	752810890	WMQCVTGJOSFNFC-UHFFFAOYSA-N	421.284	4.518	50	20	HJGD	
CC(C)c1ccc(C2(O)CCC(=NNC(=O)c3ccc(O)c(Cl)c3)CC2)cc1	753933508	YVHIUEAZZXBGPB-UHFFFAOYSA-N	400.906	4.717	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3cccnc3Cl)c(-c3ccccc3)n2)cc1	754484113	ZYDDUNKYHGUJRI-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)Cc3cccc4ccccc34)cc2)cs1	755549344	IJYNAUWMUHWXDG-UHFFFAOYSA-N	416.506	4.667	50	20	HJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NN=Cc3cnc([C@@H]4CCCO4)s3)cc2C1	755571513	CCQVDBAMPBZFDY-HOCLYGCPSA-N	417.600	4.971	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cnccc2-c2ccccc2)c1C	759721541	FBMSIXLVCXQJAE-ZFJBLLOBSA-N	414.509	4.920	50	20	HJGD	
C=CCCC(CC)=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC	764768888	QLRPHMRZERDDHK-UHFFFAOYSA-N	405.955	4.559	50	20	HJGD	
O=C(CSc1nccc2ccccc12)NNc1c(F)cc(F)cc1Br	765659733	AZDHEVCRXVBQCO-UHFFFAOYSA-N	424.270	4.511	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1C(F)(F)F)C(=O)Nc1nc2ccccc2nc1Cl	771841574	OYONQLVANCIYMP-XFFZJAGNSA-N	420.753	4.987	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1	773155166	RNBWGNXHOWPILT-ZSOIEALJSA-N	410.792	4.578	50	20	HJGD	
Cn1cnc2cc(NC(=O)C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)ccc21	773674966	SLFUNSBUSSECSI-UHFFFAOYSA-N	420.363	4.808	50	20	HJGD	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(Br)c1	775544813	KJWNXFMXCACMGW-UHFFFAOYSA-N	410.293	4.615	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(Br)c(Cl)c1	775680437	RSLSJALWFIIXMH-UHFFFAOYSA-N	409.593	4.665	50	20	HJGD	
C[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(C)(C)CN(C)C	782986653	YUSHCZTUIBUHRP-NSHDSACASA-N	410.474	4.599	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]	787465375	LOVHGJXANSSYST-UHFFFAOYSA-N	415.808	4.723	50	20	HJGD	
COc1cc(NNC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)ccc1Cl	788689927	WYRVFGZOHXNADC-UHFFFAOYSA-N	412.302	4.613	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)c(Br)c1	794697403	ZPGVFCFDVTXYGY-SDQBBNPISA-N	416.300	4.849	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1cccc([N+](=O)[O-])c1	797744551	JSAAGTZJIHXKHX-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
COc1ccc(NC(=O)NNC(=O)c2ccccc2SCc2cccs2)cc1	802059980	BFTRGJMHELOZFL-UHFFFAOYSA-N	413.524	4.516	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	803537184	VUGBRNBUDCPYJQ-IFMALSPDSA-N	404.645	4.825	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1cn(CCOc2ccccc2Cl)c2ccccc12	804773871	UIAQMCZNEHXWBT-UHFFFAOYSA-N	424.863	4.665	50	20	HJGD	
Cc1noc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n1	806185224	UIOANWNONRCMAS-RISCZKNCSA-N	420.844	4.966	50	20	HJGD	
N#Cc1cc(Oc2ccc(NC(=O)NNc3ccc(C(F)(F)F)cc3)cc2)ccn1	810284236	NEDGIMGJZIJCRE-UHFFFAOYSA-N	413.359	4.913	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cc(F)c(F)cc1N1CCCCC1	810308824	FBWWDSAUTUBWAZ-UHFFFAOYSA-N	415.366	4.518	50	20	HJGD	
CCOC(=O)c1csc([C@H]2CCCN2Cc2ccc(OCCCCl)cc2)n1	811495096	CLLHNPFQEHXSAM-GOSISDBHSA-N	408.951	4.665	50	20	HJGD	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)N1CCCC1	915846337	PNJYOUUERNEGEM-PDGQHHTCSA-N	411.299	4.557	50	20	HJGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)o2)cc1	915847598	FQDGMZTXEHPPFD-UYRXBGFRSA-N	400.434	4.896	50	20	HJGD	
CC[C@H](C)C(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1	915976795	KCVFDFXCKDZUFD-KRWDZBQOSA-N	400.482	4.841	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H](c1ccccc1)c1cc2ccccc2o1	916228178	XCFMTEPZLDQNLX-NRFANRHFSA-N	419.868	4.820	50	20	HJGD	
CCCCC/C(C=NNC(=O)c1nn(CC)c(=O)c2ccccc12)=C\c1ccccc1	916321671	WGZCOAPFLBMIPP-FAVMWONFSA-N	416.525	4.796	50	20	HJGD	
Cc1ccccc1C(=O)NN=Cc1c(C)nn(Cc2ccccc2Cl)c1Cl	916362230	WYKOZSWGGLQIFL-UHFFFAOYSA-N	401.297	4.619	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1	916614020	SOGCLGGACRYZPX-IACVWBKYSA-N	407.510	4.709	50	20	HJGD	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)CCCC[C@@H]1CCSS1	918954811	GLYSGHLPMRLPKH-DZGCQCFKSA-N	417.543	4.742	50	20	HJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	919811177	LIUNRJMYOPNTCZ-UHFFFAOYSA-N	417.771	4.811	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cnn(C)c1	920827517	XABWACRRLXBDMS-UHFFFAOYSA-N	424.504	4.820	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc(Br)cc2)cc1OCCC	932522642	VWVFPVWITDIGGN-UHFFFAOYSA-N	407.308	4.784	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc2ccc(C(F)(F)F)cc2[nH]1	1116447609	OXGDYLUVMWQNMT-UHFFFAOYSA-N	416.172	4.845	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3c(C)cnn3CC3CC3)c2C)c1	1251448008	RMVKZAOZORWWOB-UUYOSTAYSA-N	413.525	4.863	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3Br)cc2)cn1	1326879394	IWGIPZQTCSIENN-OVCLIPMQSA-N	409.243	4.822	50	20	HJGD	
C[C@@H](C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1ccccc1	1791608171	GYYQSPSCCGLWDI-CQSZACIVSA-N	405.325	4.728	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1	1830913256	UMVALYOBFQXZDK-VQTJNVASSA-N	416.949	4.684	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2C)c1C	7459905	GIRSCBHPZKVEPD-DBRLUCFCSA-N	407.514	4.609	50	20	HJGD	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNC(=O)c1c[nH]c2ccccc12	10999901	BPHBBWQQRAMEKK-ZRDIBKRKSA-N	405.454	4.510	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)cc1	726743423	GTXRTNKGZRMXKE-APSNUPSMSA-N	415.276	4.544	50	20	HJGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1sc(-c2ccc(C)cc2)nc1C	727648427	DSOBBXRWMSVBDR-UHFFFAOYSA-N	420.538	4.523	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](n3ccnc3)C2)c(C)n1C1CCCCC1	728543054	UEHVVCJESRPLGR-XOYGFPHKSA-N	405.546	4.577	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NNC(=O)OC(C)(C)C	730142259	VRGUEXCLYNJEQX-NSHDSACASA-N	410.927	4.572	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2cccc(OC(C)C)c2)c(C)n1C[C@H]1CCCO1	730930838	JGSCATAHXZBLQY-GAISBVLPSA-N	408.498	4.584	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)n(-c2ccccn2)n1	730969957	URIJJWWMEOECJK-KGENOOAVSA-N	416.529	4.586	50	20	HJGD	
CCc1nnc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)o1	732310920	PSZMOVQHCGAOKR-LSPINASFSA-N	404.470	4.559	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c(OC(F)F)c1	734095616	DANDOIUKDJDTDW-KPKJPENVSA-N	408.788	4.504	50	20	HJGD	
Cc1cc(CC(=O)NN=Cc2c(Cl)cccc2Oc2c(C)ccc(C)c2C)n[nH]1	734746469	LNLKCDXQSJAWOB-UHFFFAOYSA-N	410.905	4.782	50	20	HJGD	
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1	735477120	LLBMNDQEKGUERD-SJLPKXTDSA-N	422.616	4.647	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)c(C)c1	738556502	VBWLQNCSNDBZRZ-ZDUSSCGKSA-N	409.477	4.834	50	20	HJGD	
C[C@@H](CSc1ccccc1)C(=O)NNc1c(F)cc(F)cc1Br	741979881	MKXZJUSCAMUKQW-JTQLQIEISA-N	401.276	4.599	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](COCc3ccccc3)C2)c(C)n1CC(C)C	742017795	JQYKZFUXUWRMBE-SKZKPWFZSA-N	419.569	4.733	50	20	HJGD	
CCN(CC1CCN(c2ccccn2)CC1)C(=O)CCCC[C@@H]1CCSS1	742942183	IWLXDYGAYCORHU-LJQANCHMSA-N	407.649	4.861	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cc3ccccc3o2)c1C	746560041	JTVKHJSEDBTLRO-QREGZJMFSA-N	405.498	4.624	50	20	HJGD	
CC(C)c1nnc(CCC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)o1	747294262	KXYAWVGLNBCLBI-HNNXBMFYSA-N	407.845	4.984	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cccnc1Oc1ccc(Cl)cc1Cl	748005293	YXHNEROTRYLAJG-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNc3ccc(C#N)cc3)cc12	748113083	HRBKUHDHGIIWIR-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1C	748686208	SNKLIHULCARPKM-UHFFFAOYSA-N	403.438	4.508	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3cccc4cnccc34)cs2)cc1	748766833	GICCGEYHKCXDPI-UHFFFAOYSA-N	404.495	4.904	50	20	HJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC	749452558	OZBHKBDLZSSMNG-DZBQEORWSA-N	405.903	4.864	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@@H]1CCCOc2ccccc21	750339448	WWHQUSGZZLIDDM-GFCCVEGCSA-N	401.681	4.582	50	20	HJGD	
Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)s1	752033182	BGRIMMRUYOZUQM-UHFFFAOYSA-N	418.522	4.636	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3oc(CCOC)nc3c2)c1C	753318311	JWQYNIYDEGWBGH-UYRXBGFRSA-N	420.513	4.781	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc1	754306452	GNBHHZZDADUGGI-HMMYKYKNSA-N	417.534	4.783	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc1	754321247	PJVYHIGBAHCXFG-MLPWYGTASA-N	414.509	4.672	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC(=O)CCCc2ccccc2)c1	759653170	LXPODZJFCXWSCO-UHFFFAOYSA-N	418.541	4.787	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	760853557	FANVHQRKAYDJIH-UHFFFAOYSA-N	403.413	4.525	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(C2CC2)nc2ccc(F)cc12	761584694	KTTFALNJCJVPRX-UHFFFAOYSA-N	405.351	4.907	50	20	HJGD	
COC(=O)N1CCC[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762975885	NZFAHUGWKHCABQ-NSHDSACASA-N	403.373	4.696	50	20	HJGD	
CCOCCN1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762977984	HYZBLRZYRQQFCP-UHFFFAOYSA-N	403.417	4.530	50	20	HJGD	
O=C(NN=CCCC1CCOCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	764885269	KAOJYSGZISCOOB-UHFFFAOYSA-N	422.554	4.778	50	20	HJGD	
COC[C@H]1CCCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	767300694	MPQPBADKWZWFMK-LBPRGKRZSA-N	409.442	4.781	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OC[C@@H]2CCO[C@H]2c2ccccc2)c1C	769348901	PJHRZDMAKIVVHL-ZHJDUARSSA-N	422.525	4.540	50	20	HJGD	
C[C@@H](CBr)COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1	770386500	WWFRMJZQQFPKHQ-VIFPVBQESA-N	420.090	4.764	50	20	HJGD	
C[C@H]1C[C@@H]1c1cc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n[nH]1	773747996	UAFXPLXOYNGBKA-KWQFWETISA-N	410.368	4.768	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(SC2CCCC2)cc1	773763227	NEPJRMKSEDHDDC-UHFFFAOYSA-N	423.460	4.822	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1	774918176	BVNYCGSPUAGBSE-DHZHZOJOSA-N	402.813	4.682	50	20	HJGD	
C[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccc(-n2cccn2)cc1	775524077	PXDXCJJTBYSKFU-OAQYLSRUSA-N	415.477	4.537	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1cc(F)ccc1OC[C@@H]1CCCO1	775610797	SXWTYIZOWYNPJD-HNNXBMFYSA-N	413.371	4.551	50	20	HJGD	
C[C@@H](CCO)C1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCC1	778059492	ZRBARSMAHKQOMS-LBPRGKRZSA-N	423.469	4.811	50	20	HJGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1	778285793	DWUUGGZWGVTWLD-UHFFFAOYSA-N	410.377	4.736	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(-n2cnc3ccccc32)cc1	779201781	WWTJTXZLSWUVAQ-UHFFFAOYSA-N	412.371	4.681	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1CCC(F)(F)F	783366799	GLCXBCPQUGTGJW-UHFFFAOYSA-N	420.218	4.570	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c(OC)c1	783714598	MFJBNGSAHCQOFP-UITAMQMPSA-N	412.692	4.971	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cn(C)nc1C(C)(C)C)c1ccc(Cl)cc1Cl	787144964	NHEZPLUZDCVJLO-OXBCTQFSSA-N	405.329	4.809	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(Oc3cccnc3)c(C)c2)cc1	787156433	ZJJNPPRHKCRYKB-ALDSOSFCSA-N	413.477	4.975	50	20	HJGD	
O=C(NCc1ccnc(Oc2ccccc2F)c1)NNc1c(F)cccc1Cl	787383246	KNOZSHFPJLWQTA-UHFFFAOYSA-N	404.804	4.632	50	20	HJGD	
N#C/C(=C\c1ccccc1OCC(=O)NCC1CC1)C(=O)c1cc2ccccc2s1	788333384	ZAGYYUGQEABLBS-YBFXNURJSA-N	416.502	4.596	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)cc1)c1ccccc1	788532315	BVXOENDWQMRCSS-INIZCTEOSA-N	423.900	4.624	50	20	HJGD	
COc1cc(NNC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)ccc1Cl	790169770	AEXAJXCLVGQSEM-UHFFFAOYSA-N	424.810	4.823	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1cccnc1-c1ccc(Cl)s1	790533206	RBMRYFKMFZCNTQ-UHFFFAOYSA-N	407.814	4.659	50	20	HJGD	
O=C(CN1CCc2ccccc2C1=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	790974785	LZFNPWWYYMOAJQ-UHFFFAOYSA-N	406.376	4.981	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Nc1ccc(F)c(F)c1	796588689	XCTDICFIQMONRW-UHFFFAOYSA-N	409.318	4.589	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1coc(C(C)C)n1	799466797	QLCNVFSXWQMVSE-UHFFFAOYSA-N	423.542	4.651	50	20	HJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)Oc1ccc([N+](=O)[O-])cc1Br	805884851	ALCXUKWCMLABHX-LBPRGKRZSA-N	415.243	4.690	50	20	HJGD	
CC(=NNC(=O)CSc1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F	812395817	IKKPGUKCLXKUMT-UHFFFAOYSA-N	408.861	4.717	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(OC)cc2C(F)(F)F)c(OCC(C)C)c1	816703891	XRUDAVSPWVLCKJ-UHFFFAOYSA-N	412.408	4.514	50	20	HJGD	
COC(=O)Nc1ccccc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014505	LPCNLSCYNGQSRJ-UHFFFAOYSA-N	421.297	4.659	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)Cc3cccc4ccccc34)c2C)cc1	839424457	KWFLADPOZBUNKR-UHFFFAOYSA-N	410.521	4.703	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](c2ccco2)N2CCCC2)c(C)n1CCC(C)C	864335394	NZTNOFZILOVLQS-VKIDYWOHSA-N	422.573	4.604	50	20	HJGD	
CSc1nc(-c2ccco2)nc(C)c1C(=O)NNc1cccc(C(F)(F)F)c1	879297984	SZWDEBYRIBHCOO-UHFFFAOYSA-N	408.405	4.543	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)cc(OCC)c1OCC	916290573	ZMKMIPQGZPWSPB-DLBZAZTESA-N	402.535	4.959	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)Nc1cccc2ccccc12	920241790	UEKGXYVGUBWDSH-YVLHZVERSA-N	408.417	4.504	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c(Br)cc1O	921258774	BKTVQHVGDWMPCU-NTUHNPAUSA-N	411.255	4.743	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Br)c1)c1nc(N)c2ccccc2n1	1320480067	LKVUBRDFFXNOEI-XFFZJAGNSA-N	417.213	4.640	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)nn1	1321936717	CBAZZAQXYOMSSF-UHFFFAOYSA-N	402.498	4.547	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC(c2ccccc2)c2ccccc2)c1C	10412339	GEVDBEOIBGAQCT-JJIBRWJFSA-N	413.521	4.564	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccn2)n1	25198638	IUSJTOREVMZQDT-SFQUDFHCSA-N	418.522	4.960	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)sc1-c1cccc(Cl)c1	726522142	CDWYWXSNHDDHPW-UHFFFAOYSA-N	423.925	4.862	50	20	HJGD	
C=CCCC(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	726651427	RQXTTYBKVJOOOQ-UHFFFAOYSA-N	404.388	4.582	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cnn(CCCl)c2)c(C)n1-c1ccc(Cl)cc1	728696450	ROEKQMNBIZPMMJ-YVLHZVERSA-N	413.308	4.973	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1ccccc1	731997725	SZNNRRXEOJTKHL-GCFJHJGGSA-N	408.498	4.769	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1)c1ccccc1	732001335	VXVJXBZQFSYGHN-NRFANRHFSA-N	421.566	4.817	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NNc3ncccc3Cl)c2C)cc1	734246293	MZPBXUMNJNSXGB-LDADJPATSA-N	405.889	4.501	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc3ccccc3n2C)c(C)n1CCC(C)C	736218220	JJIBMFHZDIZVLE-ALDSOSFCSA-N	417.557	4.822	50	20	HJGD	
Cc1ccccc1[C@@H]1CN(C(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)CCO1	741724703	XFIVIWHWGWLLJX-MFUBYVTQSA-N	405.542	4.576	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1OC	743601736	HPTNVNJXQSTJNJ-NRFANRHFSA-N	418.497	4.849	50	20	HJGD	
CC(C)(CNC(=O)NNC(=O)c1cccc2ccccc12)c1ccc(F)cc1Cl	743609521	XVIZMLOVALUUNH-UHFFFAOYSA-N	413.880	4.554	50	20	HJGD	
Cc1ccc(C(=O)NNc2c(F)cc(F)cc2Br)cc1Br	746863374	VNJLUKYKQGKOOY-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1	752238004	MYSIISOCJKDICC-LGMDPLHJSA-N	415.405	4.941	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2cc(F)cc(F)c2)c(C)n1C[C@@H]1CCCO1	755400324	QPUIMYIVJKYQHR-QQDCUAHVSA-N	414.452	4.774	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NN=Cc2c(C3CC3)nc3sccn23)cc1	755531658	HOPOTHPSVINOKX-UHFFFAOYSA-N	410.543	4.996	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	756029648	JNZQKIAVOSCHRG-ZDUSSCGKSA-N	416.374	4.706	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1cccc(C(F)F)c1	756300506	VJWCKBXZZPKNJV-UHFFFAOYSA-N	402.426	4.523	50	20	HJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	759781958	RGUXKRCDFKBHSX-SDNWHVSQSA-N	403.935	4.548	50	20	HJGD	
CN(CCOc1ccccc1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762635705	GFDIHLNXXDJBEX-UHFFFAOYSA-N	424.391	4.820	50	20	HJGD	
COc1ccc(/C=C2/N=C(SC/C=C\C#N)N(c3cc(C)cc(C)c3)C2=O)cc1	763299357	UPHOTUWEERWBDI-KHQWPXLISA-N	403.507	4.869	50	20	HJGD	
C[C@@H](C=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1cccc(Cl)c1	763344698	CTABJBGZNGZWHA-ZETCQYMHSA-N	406.100	4.797	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(C)ccc12	774127467	WDLSRZNALIMFNS-GDNBJRDFSA-N	412.898	4.713	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(C(F)(F)F)cn3)c(F)c2)c(F)c1	775243623	OPOOFQQYKFGDFV-UHFFFAOYSA-N	423.341	4.811	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2ccc(Br)c3cccnc23)c2ccccc2n1	777877123	HTTLXEIBBPQPTH-UHFFFAOYSA-N	419.282	4.618	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N(CCO)Cc1ccccc1	777949221	KSRTYFJOGGDCRC-UHFFFAOYSA-N	417.421	4.527	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1oc2cc(OC)ccc2c1-c1ccccc1	780730134	BFGMZROCKBCCKL-UHFFFAOYSA-N	416.433	4.652	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1	780803600	JCQNTPOSRSXPTJ-UHFFFAOYSA-N	419.447	4.887	50	20	HJGD	
CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NNc3ncncc3Cl)c2C1	781818670	FMRBFSZIXQGIAA-CYBMUJFWSA-N	409.921	4.586	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(C(F)(F)F)c(F)c1	784121357	ZNYUORPPIMBWAP-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
C[C@H](NC(=O)COC(=O)CCCC[C@@H]1CCSS1)c1ccccc1Cl	786595885	QLAGVMWLAKGTBY-UONOGXRCSA-N	401.981	4.775	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(Cl)s1	786619013	DXRRBUULHOKHJE-RKDXNWHRSA-N	405.785	4.575	50	20	HJGD	
COc1cc(NNC(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)ccc1Cl	788605509	ABNQSABYKRVDDP-UHFFFAOYSA-N	404.898	4.790	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2c(C)cccc2CC)c1C	801069028	RNIXNGKPLVAJIM-HMAPJEAMSA-N	421.541	4.865	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)Nc1ccccc1	801990308	DVCYXLKZCOXSCV-UHFFFAOYSA-N	400.413	4.507	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@H](CCc1ccccc1)c1ccccc1	806464621	JNWFWHOEECOJSH-HSZRJFAPSA-N	412.493	4.528	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12	810199886	DEGZCNIPWSDEJK-WJDWOHSUSA-N	409.367	4.886	50	20	HJGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)c1cc(F)ccc1Br	814220742	HOKXZUWBSYIRFB-XMAVDCBISA-N	405.267	4.554	50	20	HJGD	
Cn1c(NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)nc2ccccc21	816577706	XEBABEUCVMTMSW-UHFFFAOYSA-N	411.440	4.685	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NNc1cccc(Cl)n1	817011674	FGVNCKRPMWJEKH-UHFFFAOYSA-N	413.717	4.851	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c(C)n1C1CCCCC1	818788387	IVXHDRQCFNHQJO-NLZIUFDSSA-N	421.585	4.935	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1C	863857169	GIKALBORIISYTB-HMAPJEAMSA-N	420.557	4.526	50	20	HJGD	
CCOc1ncccc1CNC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	914457617	JANZOMPLMRZAGN-STZFKDTASA-N	406.530	4.627	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC	915850673	NKUGJUUGHTVKCO-UVTDQMKNSA-N	407.495	4.747	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	921261144	JAXDIGGEFIAHHT-NTEUORMPSA-N	420.271	4.515	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2Br)c1C	1320461398	JFHZESNDWOTFSX-LFIBNONCSA-N	416.319	4.832	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1ccc(C(C)(C)C)nn1	1344498920	BALSAGXVFAEMLY-UHFFFAOYSA-N	420.300	4.801	50	20	HJGD	
Cc1ccccc1CCC(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788587246	DEIFZYJIXZMSCM-FQEVSTJZSA-N	402.897	4.596	50	20	HJGD	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@](C)(Cl)CCl)CCC2)cc1	1791300472	SBEJGUKWUKQWMZ-KRWDZBQOSA-N	419.299	4.568	50	20	HJGD	
CC/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)[C@H](Br)CC)CCC2)cc1	1792065222	OAONWRHUNPHYTD-OEXZBZRSSA-N	407.352	4.650	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Cl)c(C)c1Cl	1847866829	HKDACAVTPSCWPW-JYJNAYRXSA-N	417.764	4.525	50	20	HJGD	
CCCn1c(C)c(C(=O)NNC(=S)Nc2ccc(C)cc2C)c2cc(OC)ccc21	28616805	ZJDTWFODIILUJR-UHFFFAOYSA-N	424.570	4.617	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1O	89424056	BECKGXWEYLMCBE-DHDCSXOGSA-N	423.266	4.862	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1	725869171	KLZIJKACNQWPOW-KRWDZBQOSA-N	404.470	4.884	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNC(=S)Nc3ccc(C)c(C)c3)c(F)c2)cc1	730291719	RQRYNQNRPKDAMQ-UHFFFAOYSA-N	423.513	4.750	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)c2ccc(Br)s2)o1	734297130	SXLQKESNYLXCET-UHFFFAOYSA-N	407.264	4.982	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc1	741473910	UTCBBRTWXTUQST-MOSHPQCFSA-N	424.460	4.696	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(N(C)c3ccccc3)cc2)o1	746491032	YMVVCRKQJLYIMM-UHFFFAOYSA-N	404.514	4.653	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cnn1-c1cccc(Cl)c1	748696097	XVCVCALIWBGAIQ-UHFFFAOYSA-N	424.810	4.532	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-]	748703372	IWUHSDTUGYLEIO-UHFFFAOYSA-N	411.380	4.590	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc(C(F)(F)F)cs2)c(C)n1CC(C)C	751615488	XVADUEIYYFBKAV-UUASQNMZSA-N	411.449	4.887	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1	755756005	KQCZYQISYAUPBT-DHIUTWEWSA-N	412.493	4.689	50	20	HJGD	
CC(C)c1ccc(N2Cc3ccc(NC(=O)NNC(=O)C4CCCC4)cc3C2)cc1	757893083	XOIMOJUMRPUGRQ-UHFFFAOYSA-N	406.530	4.673	50	20	HJGD	
CC(C)c1nn(-c2ccc(Br)cc2)cc1C=NNC(=O)c1ccccc1	763338368	JGQWPEPAHYQPBR-UHFFFAOYSA-N	411.303	4.522	50	20	HJGD	
COc1ccc(NNC(=O)c2cccnc2Sc2ccc(C)cc2C)c([N+](=O)[O-])c1	768327499	AUTZKATUTWFPFT-UHFFFAOYSA-N	424.482	4.523	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1cccc(NC(=O)c2ccoc2)c1	769993895	LOFZISCKTRJUBI-UHFFFAOYSA-N	404.348	4.699	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2ccc3ccccc3c2)ccc1NC(=O)OC(C)(C)C	772218321	KRZXMRMZUUVNHM-UHFFFAOYSA-N	419.481	4.570	50	20	HJGD	
CCOc1cccc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	772891191	USPMFBWWTQSOFU-UHFFFAOYSA-N	424.391	4.998	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])c(Cl)c1	774120265	LFGFTARLPIAARS-WUXMJOGZSA-N	406.225	4.764	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCC(C)C	775255485	QHKAGJYAKXAQDV-UHFFFAOYSA-N	417.815	4.554	50	20	HJGD	
CCN(CCc1ccccn1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777909317	WXNPIUOZTBTVOK-UHFFFAOYSA-N	416.437	4.992	50	20	HJGD	
C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	782074083	VTCMKDUOTVFKSD-LBPRGKRZSA-N	417.444	4.653	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)c(C2CCCCC2)n1	783683148	GXSOFCGWMDIQJL-PTNGSMBKSA-N	420.904	4.610	50	20	HJGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1c(Cl)cccc1SC(C)C	786037574	ITVGEZNBUUDZSD-UHFFFAOYSA-N	400.935	4.649	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)C1(c2ccc(Cl)cc2)CCCCC1	788556788	SPQLYOHVBVNLTL-UHFFFAOYSA-N	413.934	4.599	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3c(C)cc(C)cc3s2)c1C	789941697	KDNLQUXBCUQOSG-WQRHYEAKSA-N	408.527	4.524	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(c2cnc3ccccc3c2)C(C)C)c1C	791027579	BKGZNQITWGZQBW-XKZIYDEJSA-N	416.525	4.648	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1nccnc1-c1nc2ccccc2s1	791714956	CYDZRQGXOUONPM-UHFFFAOYSA-N	416.293	4.817	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	794692321	VVVAEYKFEOWLSH-UVTDQMKNSA-N	412.280	4.737	50	20	HJGD	
Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)NNc3ccccc3C(F)(F)F)c2)o1	796988526	FZPAZXHQHHNQGI-UHFFFAOYSA-N	417.387	4.664	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccc(COCc2ccccc2)cc1	806303070	PYFGXZPRHQCSRM-UHFFFAOYSA-N	406.442	4.769	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@H](c1ccc(Cl)cc1)c1ccsc1	806533131	ZTHMNBZDWUUMIG-LJQANCHMSA-N	424.913	4.659	50	20	HJGD	
Cc1cc(Cl)ccc1Cc1cnc(NC(=O)NNc2nccnc2C(C)C)s1	806793955	XKYWALQEWSJGAJ-UHFFFAOYSA-N	416.938	4.758	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])c2ncccc12)c1nc2ccccc2cc1Br	808743132	TUTDNKKVSMJZIT-UHFFFAOYSA-N	424.210	4.673	50	20	HJGD	
COCCCCc1cccnc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	813319874	HWKLZDHGTROEOH-HMAPJEAMSA-N	408.546	4.671	50	20	HJGD	
CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCO1	815891590	PETFPDQRECFXNQ-CQSZACIVSA-N	416.412	4.556	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cc3c(cc2Br)OCO3)c1C	915856871	GTHMSVJFNPYXSM-CHHVJCJISA-N	413.271	4.572	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cc1	916651411	JNOAUUPAPSHORQ-OAQYLSRUSA-N	407.901	4.636	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2	917144146	AFIBDUBFLYOEGQ-CXUHLZMHSA-N	405.841	4.661	50	20	HJGD	
N#C/C(=C\c1cc2c(cc1Br)OCO2)c1nc(-c2ccncc2)cs1	920069217	JPUJKLKFZKEGRD-WLRTZDKTSA-N	412.268	4.760	50	20	HJGD	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)CCBr)cc2)CCC1	1787673921	AVSZLDDYRVUBEW-UHFFFAOYSA-N	407.352	4.652	50	20	HJGD	
O=C(CCc1ccccc1Cl)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788582490	HMHVCQMREQKZMS-LJQANCHMSA-N	423.315	4.941	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C3CC3)CCC2)cc1	1790485484	CGBYIOUQYNMRCX-MRXNPFEDSA-N	417.962	4.786	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(C)c2C)[nH]n1	1815317833	KAEBNFTXKAYEND-WBVHZDCISA-N	422.982	4.801	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1815322282	NMZCJSWPYKDFJI-LNJMBMCMSA-N	420.985	4.946	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)[nH]n1	1820850693	ABKKEVYLBLJCAB-HSYXRWIHSA-N	420.966	4.584	50	20	HJGD	
CCCCn1c(C)cc(/C=C(C#N)/C(O)=N/c2nc(CC(=O)OCC)cs2)c1C	21529844	QNSUJPSVPVVCNV-LICLKQGHSA-N	414.531	4.662	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)N1CCCC1	211874361	VJNQJWFFYNBDNF-RGEXLXHISA-N	408.461	4.815	50	20	HJGD	
CCC(=NNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(Cl)cc1Cl	254488536	XIZKQDVBPMROJI-UHFFFAOYSA-N	411.285	4.563	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1cccc(Br)c1)c1ccccc1Cl	727493000	FREXWWSWHNSEKR-PKNBQFBNSA-N	424.751	4.524	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(O)c3c(C)c(C)sc3n2)c(Cl)c1OC	730433906	JXSJNADIDIZHNH-KPKJPENVSA-N	401.875	4.749	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1C	731501375	RKJPDKWDHYQMGB-UHFFFAOYSA-N	422.535	4.805	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ncc[nH]2)c(C)n1-c1cccc2ccccc12	732092744	AWTMDQCWCYGKSO-KGENOOAVSA-N	409.493	4.536	50	20	HJGD	
CCn1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cn1	732529298	UUCOHPQYOHDZCV-ACAGNQJTSA-N	418.309	4.879	50	20	HJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1F)C(=O)Nc1nc2ccccc2nc1Cl	733206487	LSUHVCXJNBKRLV-YRNVUSSQSA-N	420.753	4.987	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cnn(-c3ccccn3)c2)c1C	739656014	HSCZBTLCHLSDFZ-BKUYFWCQSA-N	422.492	4.529	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1cccc(C(F)(F)F)n1	740132506	IXGYMBMEUHEEOA-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@H]1CCC[C@@H](C(F)(F)F)C1	741976975	AECXPLFHJOPBQR-JGVFFNPUSA-N	401.173	4.539	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](C)c2ccccc2OC(C)C)c(Cl)c1	743537079	LNMVCCOWSYPDEN-CQSZACIVSA-N	404.898	4.533	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1ccc2ccccc2c1)[C@@H](C)c1ccccc1OC	746213353	VBSHIDWKYFNGJW-KRWDZBQOSA-N	405.498	4.676	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C[C@H]3CCc4ccccc43)cc2)n1	755487144	KOSVAYTWCPDSHV-OAQYLSRUSA-N	416.550	4.831	50	20	HJGD	
COc1ccc(CCC(=O)NNC(=O)Nc2ccccc2SC2CCCC2)cc1	755722366	QSGVJDHWBRVRBQ-UHFFFAOYSA-N	413.543	4.515	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1ncc(C2CCCCC2)s1	756178469	UNTORIBUJGIUBG-UHFFFAOYSA-N	413.330	4.579	50	20	HJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c1	764268434	SPJQCPKGISBSGY-UHFFFAOYSA-N	417.225	4.764	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(F)F)ccc2Cl)c1C	769337675	MSBQKNRIRUCMFA-SXGWCWSVSA-N	407.848	4.888	50	20	HJGD	
CCOC(=O)Nc1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1C#N	770073190	DXWRDUGWYXWFIL-UHFFFAOYSA-N	408.245	4.582	50	20	HJGD	
CCOC(=O)N1CC[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	771195861	ULNBMYJKNZCNNF-LLVKDONJSA-N	403.373	4.696	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3sc(C)nc3c2)c1C	781203519	RJKSKENGRVYVLK-WXARJGPPSA-N	408.527	4.776	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Br)cc2C)cc(OC)c1C(C)C	781348384	GERXRFWAOYIPPG-UHFFFAOYSA-N	407.308	4.655	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c3nnc(C)s3)c2C)cc1	782347095	HNVFKSKOLALKSX-VXIUPONVSA-N	406.511	4.774	50	20	HJGD	
C[C@H](Cc1cccc(O)c1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982512	XHBVMQODIMYEST-LLVKDONJSA-N	417.421	4.959	50	20	HJGD	
Cc1ccc2cc(C=NNC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc2n1	783508070	QJRWTKXCUFLGHN-UHFFFAOYSA-N	417.472	4.917	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c(OC)c1	783714600	MFJBNGSAHCQOFP-WEVVVXLNSA-N	412.692	4.971	50	20	HJGD	
Cc1sc2nc(CC(=O)NN=CC3CCC(C(C)(C)C)CC3)nc(O)c2c1C	783805405	HUQKYBHIWAEUDJ-UHFFFAOYSA-N	402.564	4.511	50	20	HJGD	
COC(=O)c1nc([C@@H]2CCCN2C(=O)CCCC[C@H]2CCSS2)sc1C	792556551	NWJHFLHXIMYYAK-KBPBESRZSA-N	414.618	4.616	50	20	HJGD	
C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	805111600	ZOVSYABZKURLNW-IUODEOHRSA-N	420.469	4.591	50	20	HJGD	
CC[C@@H]1CCC1=NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12	807954899	HWWBOZIAYZYSNU-OAHLLOKOSA-N	403.482	4.825	50	20	HJGD	
CC(C)[C@H](NCc1ccc(OCCCCl)cc1)c1nc(-c2ccncc2)no1	811487466	XZBMDAXHMSGUBG-IBGZPJMESA-N	400.910	4.626	50	20	HJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)C(=O)Nc1nc2ccccc2nc1Cl	811626352	HEKDEOPAOGYAQT-WZUFQYTHSA-N	418.762	4.553	50	20	HJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Br)c1ccc(Cl)cc1	811629548	VZWPUVKHBUHZJG-UHFFFAOYSA-N	405.601	4.885	50	20	HJGD	
CCCn1nc(C(=O)NN=C(CC)C23CC4CC(CC(C4)C2)C3)c2ccccc2c1=O	811633753	XAHZYIWYAWDXSC-UHFFFAOYSA-N	420.557	4.519	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3cn(C)nc3C(F)F)n2)cc1	812241149	DMXRHDAADHGDIH-RIYZIHGNSA-N	413.453	4.589	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1C[C@H](CO)c2ccccc21	814402085	CPCJAVFLYFCRAU-LLVKDONJSA-N	415.405	4.629	50	20	HJGD	
COc1ccc(NCC(=O)NN=C(C)c2ccc3c(c2)Nc2ccccc2S3)cc1	915916164	MQGTVONVPQTEGD-UHFFFAOYSA-N	418.522	4.856	50	20	HJGD	
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(CSC(F)F)o1	916254308	BPFDDHWQHPVITK-UHFFFAOYSA-N	409.241	4.571	50	20	HJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1C	917218131	XFPWEKYINOQBDX-UHFFFAOYSA-N	423.856	4.853	50	20	HJGD	
CC[C@H](C)c1ccc([C@@H](NC(=O)NNC(=O)CC(F)(F)F)c2cccs2)cc1	918059772	MHOJYRLHQAAAMQ-YVEFUNNKSA-N	413.465	4.634	50	20	HJGD	
Cc1nccn1-c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cn1	918587488	FAALVSPTUDSBDY-FYJGNVAPSA-N	416.529	4.586	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1	921036423	LEXVXVHHFYZLEE-ZBFHGGJFSA-N	400.560	4.621	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-n3cccc3)ccc2F)c1C	1318210215	OOFDEAHUMXUBLB-BRLDDBHUSA-N	420.488	4.788	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1ccc(F)cc1F	1791607318	XYRDPMDZTCUEHS-UHFFFAOYSA-N	413.251	4.516	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)ccc2F)n[nH]1	1821101365	BKARZEXQNYPGPA-YJBOKZPZSA-N	420.916	4.571	50	20	HJGD	
O=C([C@H]1C[C@H]1C1CC1)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124254	UEIAEPHIOUEGPG-SFTDATJTSA-N	423.041	4.986	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(F)cc1	213145328	BLQDKEUPZIOETB-AQTBWJFISA-N	416.408	4.599	50	20	HJGD	
N#C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(OC(F)(F)F)cc1	731197021	LNQHOPNTLGTVRI-CABCVRRESA-N	404.479	4.980	50	20	HJGD	
CC(C)NC1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	732416462	NBBFHEZHUSBLON-HNNXBMFYSA-N	409.905	4.900	50	20	HJGD	
COc1cc(CCNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)ccc1O	734175233	VFDNPFKPCHJVBH-RCCKNPSSSA-N	421.541	4.590	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(F)cc1Br)c1nc2ccccc2s1	734218222	HUQXLPOFYYZLCO-VIFPVBQESA-N	409.284	4.585	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	734246169	ZLZSPXUGXLZZNV-UHFFFAOYSA-N	424.291	4.998	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@@H](CO)c1cccc(F)c1	734644854	FOJCFOHKCCOVPU-DZGCQCFKSA-N	422.831	4.900	50	20	HJGD	
Cc1cccc([C@@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1	737339242	KPLZLZKQSAHMMY-MLPWYGTASA-N	410.477	4.984	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3ncccc3C(F)(F)F)cc2)n1	740099910	HDCXKRAAOSUVMC-UHFFFAOYSA-N	424.473	4.915	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ccc(Cl)c(F)c3)cc(-c3ccco3)nc21	746697076	JDCBLSXEXJQBPC-UHFFFAOYSA-N	413.840	4.822	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cccc(-n2nccc2-c2ccccc2)c1	746702397	VJMNHVFIFAEGRZ-UHFFFAOYSA-N	408.383	4.714	50	20	HJGD	
Cc1nnc(SCc2c(C(=O)NNc3ccc(F)cc3)oc3ccccc23)s1	749188084	HVWAFSFBWHVMBU-UHFFFAOYSA-N	414.487	4.781	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H](c1ccccc1)c1cccc(Cl)c1	749552839	CBTJTBUWFVNOAR-NRFANRHFSA-N	419.868	4.820	50	20	HJGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NNc1ccc(C#N)c(Cl)c1	753319249	YRZCILJSDFXZOF-UHFFFAOYSA-N	412.902	4.866	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C(F)(F)F)ccc2Cl)cc1	753683137	NWYOWESIEIGGCC-MDWZMJQESA-N	407.779	4.863	50	20	HJGD	
COC(=O)c1ccc(NNC(=O)c2sc3cc(C(C)C)ccc3c2Cl)nc1	759724696	CTOSUJIXAQHPHD-UHFFFAOYSA-N	403.891	4.617	50	20	HJGD	
C[C@@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1cccc(O)c1	760360078	RRTWTXBWBMAIIP-SNVBAGLBSA-N	410.364	4.866	50	20	HJGD	
CC(C)Cn1cnc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762456983	OBICZPXWIPTBIM-UHFFFAOYSA-N	405.414	4.997	50	20	HJGD	
Cc1cc(CSc2ncccc2C(=O)NNc2c(Cl)cccc2Cl)no1	763617611	PQKXKHBXLJSPJQ-UHFFFAOYSA-N	409.298	4.734	50	20	HJGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)C1	766331054	FEJCYHPNJYBTFM-ZBFHGGJFSA-N	415.361	4.910	50	20	HJGD	
N#CC1=CCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1	767156517	GWYAKINDNXORLU-UHFFFAOYSA-N	400.265	4.542	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2SCc2cccs2)c1	768696522	XXSIVBBFWOJIDY-UHFFFAOYSA-N	400.916	4.717	50	20	HJGD	
C[C@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1nc(-c2ccc(Cl)cc2)no1	769925262	KVQBZDSMYNLSHW-DDWFUNMISA-N	424.726	4.521	50	20	HJGD	
C[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1cccc(OC(F)(F)F)c1	769973841	JJCONYVLJVOWRY-YHYOWMERSA-N	406.242	4.716	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2Cl)c(C)n1C[C@H]1CCCO1	775256405	YPXBGDPQJFGAGL-UKVUBRARSA-N	411.933	4.722	50	20	HJGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1NC1CCN(c2cnccn2)CC1	777622195	SZLIKPHLUUGHOV-MRXNPFEDSA-N	402.873	4.777	50	20	HJGD	
CC(C)N(CCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(C)C	777856879	MCNOGZLUNQTCEC-UHFFFAOYSA-N	410.474	4.741	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1cccnc1Nc1cccc(C(F)(F)F)c1	778447361	RCDYMIPAQXWEBA-UHFFFAOYSA-N	407.783	4.649	50	20	HJGD	
COc1cc(C(=O)NNc2cc(Cl)ccn2)ccc1OCc1ccccc1Cl	778453246	GQPLYGDKJSFIEP-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
COc1ccccc1[C@@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1ccco1	779645643	YMPLWIYTDFDIOS-GOSISDBHSA-N	421.375	4.603	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1	780950817	NWEGGNHAZSWMKK-UHFFFAOYSA-N	422.282	4.509	50	20	HJGD	
COc1ccc(NNC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)nc1	781536941	IJRKZGUQYXZKMO-UHFFFAOYSA-N	404.253	4.946	50	20	HJGD	
CCCCn1nc(C(=O)NN=C2CC(c3ccc(Cl)cc3)C2)c2ccccc2c1=O	783806794	OIMLFHWHRNXNKG-UHFFFAOYSA-N	422.916	4.513	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1coc(-c2ccc(Br)cc2)n1	785377322	SFLSAIXBSXYOLA-YBEGLDIGSA-N	409.239	4.754	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2)c(C)n1C1CCCCC1	786426084	DMEIXGQBKWRARC-ZHZULCJRSA-N	405.498	4.699	50	20	HJGD	
C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNc1cc(Cl)cc(Cl)c1	791730571	AWKFKWVYJHUNJS-QMMMGPOBSA-N	421.111	4.562	50	20	HJGD	
CN(CCCN1CCCC1)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	799205913	JGKGSJSFKNIOES-HNNXBMFYSA-N	409.905	4.856	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1	799399411	IHLXAIHKUUHJDX-UHFFFAOYSA-N	407.474	4.545	50	20	HJGD	
O=C(/C=C\c1ccc2[nH]ccc2c1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804210136	GOYQZZSNLSQYHY-UITAMQMPSA-N	423.398	4.800	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H](C)Cc1cncc2ccccc12	805175684	KDHMVCGXOOLAED-MRXNPFEDSA-N	406.555	4.555	50	20	HJGD	
ClCCCOc1ccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1	811460048	WELDBLCAKUSYKE-UHFFFAOYSA-N	412.921	4.519	50	20	HJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1Br)c1nnc2n1CCCCC2	811626416	HXXKLVKRYPJRGB-XYOKQWHBSA-N	411.225	4.850	50	20	HJGD	
C[C@](CC(=O)NNc1c(Cl)cc(Cl)cc1Cl)(C(=O)O)c1ccccc1	814323203	LQSXAQCJPMAXGL-QGZVFWFLSA-N	401.677	4.523	50	20	HJGD	
O=C(NN=C[C@H]1CCCOC1)c1ccc(CSc2nc3ccccc3s2)cc1	814698194	VCADORYMUXRDIO-MRXNPFEDSA-N	411.552	4.731	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1sc2ccc(Br)cc2c1C	816662918	CXQZYCSMFWNJLY-UHFFFAOYSA-N	420.288	4.946	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3cccc(Cl)n3)c2C2CC2)cc1Cl	817010677	MARISSYXIUCYLU-UHFFFAOYSA-N	402.285	4.517	50	20	HJGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)c3ccc(COc4ccccc4)o3)sc2n1	874089889	MLIKHKKJGOUESC-UHFFFAOYSA-N	420.494	4.552	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc3ccccc3c2)c1C	914482882	NEKKSWOCWWIUNW-QJTDOHDFSA-N	401.510	4.689	50	20	HJGD	
COc1cccc2cc(/C=C(/C#N)c3nc(O)c4cc(Br)ccc4n3)oc12	914599389	HAHFKVAPYZRPAI-WQLSENKSSA-N	422.238	4.917	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(O)c3c(C)c(C)sc3n2)cc1Br	915853302	CXCURGDNSPMJEJ-WUXMJOGZSA-N	416.300	4.849	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccccc4)no3)o2)c([N+](=O)[O-])c1	916132112	USCMOQNAYNHPSU-PTNGSMBKSA-N	414.377	4.978	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(-c2cccc3cccnc23)cc1	1328866185	ZGEWZPMGOZWSCM-UHFFFAOYSA-N	401.853	4.630	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(C)(C)C(C)(F)F)cc2)CCC1	1786454927	MDNBTVTYGABLMU-HNNXBMFYSA-N	400.897	4.819	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](NC(C)C)C(C)C)cc2)CCC1	1788121180	KWYJMUDKEJXKKW-VQTJNVASSA-N	422.013	4.551	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](F)Br)cc2)CCC1	1790536684	XSRHLJIBQOASST-SJORKVTESA-N	423.326	4.579	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2C)CC1	1824612302	WZDPRKYWFNIRPB-ZWKOTPCHSA-N	411.011	4.697	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	17706705	ZWFPMKQSDSBTFF-SWLSCSKDSA-N	423.516	4.963	50	20	HJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(C(F)F)cc1	726495333	NEQYQMMBZDJVIJ-UHFFFAOYSA-N	417.239	4.551	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1C	728082379	VIEKJNACTCQNBV-LTGZKZEYSA-N	418.541	4.687	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1	729272674	XUGAFRZETUMCOT-UHFFFAOYSA-N	407.499	4.506	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(OC(F)(F)F)cc1	729275870	WVRSPJVNXKVJQP-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
CC(C)(C)OC(=O)NC1CCC(=NNC(=O)c2cc3c(s2)CCCCC3)CC1	731925089	PNHBWMCRVIMQGE-UHFFFAOYSA-N	405.564	4.570	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ncc(-c3cccc(Br)c3)[nH]2)c1	731936533	AMLHEZDFPTYPAB-XNTDXEJSSA-N	407.271	4.693	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1sc(-c2ccc(Cl)s2)nc1C)c1ccccc1	731999215	MZBISEOASSSDBT-ZDUSSCGKSA-N	419.959	4.788	50	20	HJGD	
N#CCc1ccc(Oc2ccc(C(=O)NNC(=O)c3ccc4ccccc4c3)cc2)cc1	732058869	KBQFXNMQEKVHSL-UHFFFAOYSA-N	421.456	4.773	50	20	HJGD	
Cc1cc(NNC(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)ncn1	734254363	RTHOTRXROJTUDW-UHFFFAOYSA-N	416.506	4.849	50	20	HJGD	
Cc1ccc([C@H]2COCCN2C(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)o1	735025112	MMZYVWSXIZJDPC-MUIAGPEESA-N	409.530	4.560	50	20	HJGD	
Cc1cc(NNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)nc(C)n1	736716936	XFPPGJOMYWZPMV-UHFFFAOYSA-N	401.392	4.613	50	20	HJGD	
COc1cccc(C[C@@]2(C(=O)NNc3cccc(C(F)(F)F)n3)C[C@H]3CC[C@H]2C3)c1	740132467	IBYWXBNHKWXPBO-CKJXQJPGSA-N	419.447	4.601	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2OCC2CC2)c1C	740808800	MOYWPLBQDWYLSZ-KKJJZKEWSA-N	407.514	4.647	50	20	HJGD	
O=C(NCCc1ccccc1Cl)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743566999	MDQHGMPSZYHCKJ-UHFFFAOYSA-N	408.889	4.585	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NNc1ccc(Cl)nc1	743818938	SSBNELYXNGWCBM-UHFFFAOYSA-N	424.719	4.530	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1ccc(C)cc1C)c1cccc(C(F)(F)F)c1	743819903	KGYSAUZFQYHIHE-JLHYYAGUSA-N	407.461	4.743	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](O)c2ccccc2F)c(C)n1C1CCCCC1	746710281	DHVFGKIHQUPXBV-FOYGFLCZSA-N	409.505	4.506	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNc3ccc(F)cc3Br)c2)cs1	748074340	YHPHJEIFEOTYRA-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)n1	748339570	WYZOOXMPEQXMNT-UHFFFAOYSA-N	410.833	4.525	50	20	HJGD	
CC(C)OCc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)oc2ccccc12	748722588	VKUKZRXNHSYSOJ-UHFFFAOYSA-N	403.822	4.676	50	20	HJGD	
CCCOc1cn(-c2ccccc2)nc1C(=O)NNc1cc(Cl)ccc1Cl	752813177	RXPGNRBAGFEWRL-UHFFFAOYSA-N	405.285	4.725	50	20	HJGD	
C[C@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)c1noc(-c2ccccc2)n1	768097837	FDPUIFPJHUPDAO-VIFPVBQESA-N	410.236	4.570	50	20	HJGD	
Cc1ccccc1[C@@H](CO)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777981707	DGBGEYWRGANBCY-OAHLLOKOSA-N	417.421	4.664	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)n2)c(C)n1C[C@@H]1CCCO1	782850684	RPSRZHFCBXVNEQ-LRQZKABGSA-N	419.312	4.531	50	20	HJGD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)/C(C#N)=C/c1ccc(F)cc1	785113207	YMPBMZLQHGKIBA-GXDHUFHOSA-N	420.271	4.527	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1	785154707	QAANFAHBCMHVKN-UHFFFAOYSA-N	420.538	4.660	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1c(F)cccc1OC(F)(F)F	789130902	SHDUEVQLWGMLTH-WQLSENKSSA-N	424.350	4.636	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1	790597167	UMIQDMCUKIQZCU-UHFFFAOYSA-N	407.421	4.605	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F	799844198	LYBSZNBQLAKYBX-UHFFFAOYSA-N	413.877	4.607	50	20	HJGD	
O=S(=O)(Nc1cccc(Br)c1Cl)c1ccc(CCCl)cc1	802754999	KDWLLASOTLQOGL-UHFFFAOYSA-N	409.132	4.685	50	20	HJGD	
CSc1cc(/C(C#N)=C/c2cc(Br)cc(Br)c2)ncn1	809157913	UCNQJJRNBRGMBW-WTDSWWLTSA-N	411.122	4.788	50	20	HJGD	
Cc1cc(OC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)ccc1[N+](=O)[O-]	809786837	MLSOOFOIWCAZDL-UHFFFAOYSA-N	406.398	4.708	50	20	HJGD	
C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCC1(F)F	810440486	WDQPAUGYZBKMEA-VIFPVBQESA-N	408.339	4.786	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1	813046674	FYOSQJFCOYUHSD-UHFFFAOYSA-N	422.529	4.930	50	20	HJGD	
CC(=O)Nc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F	817014841	ASKYFJUNFRCJIZ-UHFFFAOYSA-N	423.288	4.579	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3ccccc3)C2)c(C)n1C[C@H]1CCCO1	817105665	BEEQMOSSLSDZIL-FWGXQJBFSA-N	417.553	4.597	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1	817896114	PNPRARQJAWKVBE-UHFFFAOYSA-N	414.465	4.868	50	20	HJGD	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NNC(=O)c1c[nH]c2ccccc12	840550363	BPHBBWQQRAMEKK-BENRWUELSA-N	405.454	4.510	50	20	HJGD	
COc1cc(F)cc(NNC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)c1	857473898	JQQOMENNXCWDNL-UHFFFAOYSA-N	414.864	4.753	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccccn3)c(C)c2)c1	915043864	BRFFTPNPFIVZGB-DEDYPNTBSA-N	413.477	4.832	50	20	HJGD	
Cc1nc(-c2ccccc2NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)no1	915867653	NXYHZCXDBGGZNR-ODLFYWEKSA-N	403.486	4.665	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)c2ccsc2)cc1	915989520	IWOZLUUAOXUCKG-NDENLUEZSA-N	403.459	4.904	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCCc3ccccc32)c(C)n1C[C@H]1CCCO1	916560037	LMRXZQLABXHKLQ-RWBTYFOCSA-N	417.553	4.727	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2cccc(C(=O)O)c2)c1)C(=O)c1ccccc1F	1116005199	SDEOCSUVQNLCQN-ODLFYWEKSA-N	401.393	4.893	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)C(c1ccccc1)c1ccccc1	1319048056	SVRUAHTWZUYOCU-MRXNPFEDSA-N	407.901	4.505	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c(C)n1CCC(C)C	1322112875	ZWVTVBVAOXQNDE-JMIUGGIZSA-N	406.486	4.509	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1	1824609267	KLIZUSBTNQORBE-IRXDYDNUSA-N	424.935	4.746	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1Br	71923778	VIZSFMDWBJYPFD-VKAVYKQESA-N	410.315	4.985	50	20	HJGD	
CC1(C)CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1	726958360	RYEXKVUBIHKPGA-JXAWBTAJSA-N	421.932	4.673	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cnn(-c2ccccc2)c1C1CC1	729516528	YTLMCSLYIQTLBG-UHFFFAOYSA-N	403.873	4.708	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1	730551996	IJEUNKNAGFKGBQ-UEIJICEPSA-N	403.507	4.993	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)CC2CCC(c3ccccc3)CC2)cc1	731050150	DYYJXARDPLGZJC-UHFFFAOYSA-N	411.571	4.767	50	20	HJGD	
O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NNc1ccccc1C(F)(F)F	732911392	XQBOJAJWYBHJJK-UHFFFAOYSA-N	424.426	4.789	50	20	HJGD	
CC[C@H](c1ccncc1)N(CC)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	739660945	NBCRIKOOFKIDNY-BNAVABCISA-N	408.546	4.614	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC(=O)c1cccc(Cl)c1	740761066	HECHUANOHMNAKF-UHFFFAOYSA-N	401.297	4.619	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)C[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1	741929255	IBCIAHRERXTDEN-ZEQRLZLVSA-N	400.522	4.744	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3cccc(C#N)c3)c2C)cc1	743777893	ZBXIEWIASVPHLE-UEIZDATPSA-N	424.504	4.759	50	20	HJGD	
COc1cc(C(C)=NNC(=O)c2cccc3cccnc23)ccc1SC(F)F	747357390	PDXZDCALHHZOCJ-UHFFFAOYSA-N	401.438	4.712	50	20	HJGD	
CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	750264837	MCLMSXQXTQIYEA-DOMZBBRYSA-N	408.873	4.539	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccccc1	750660276	AYEVNPJBSMNYJJ-MNTXUITRSA-N	412.445	4.537	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H](CC1CCCC1)c1ccccc1	752699808	HESVYXQXXMUXPK-QFIPXVFZSA-N	402.498	4.500	50	20	HJGD	
CC(C)(C)n1ncc(C(=O)NNc2ccccc2Br)c1-c1ccccc1	754274150	JOQMPIKFBHOZPC-UHFFFAOYSA-N	413.319	4.825	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(-c2ccc(F)cc2)cc1F	754468968	BHJQMPCOFIYGMY-UHFFFAOYSA-N	402.404	4.846	50	20	HJGD	
Cc1cc(NC(=O)NNC(=O)c2cccc3ccccc23)ccc1Oc1cccnc1	756213829	VVRBPRGZJHKPIG-UHFFFAOYSA-N	412.449	4.802	50	20	HJGD	
O=P(CCN1CCc2c([nH]c3ccccc23)C1)(c1ccccc1)c1ccccc1	759342576	BKEGHVKPZQIIAI-UHFFFAOYSA-N	400.462	4.540	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCOC3(CCC3)C2)c1C	768939075	WEFSZAZEMSYGTK-BHJKQYKASA-N	403.526	4.527	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@@H]1CCOC2(CCCCC2)C1	769175250	LRWPDSVRXTYWEE-SNVBAGLBSA-N	407.729	4.550	50	20	HJGD	
Cc1ccc([C@H](O)CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	770414983	FCAZXUQMSHZURV-OAHLLOKOSA-N	417.421	4.664	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)N[C@H]1CC12CCCCC2	771222276	IWYVOBHITUMMEC-XJKSGUPXSA-N	420.884	4.683	50	20	HJGD	
CC(C)c1ccc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cn1	772218292	JDNKDDMGZWXFKE-UHFFFAOYSA-N	416.856	4.509	50	20	HJGD	
O=C(NN=Cc1cc(F)cc(C(F)(F)F)c1)c1cc(F)ccc1Br	772841780	JTFOKXVEPWUIIT-UHFFFAOYSA-N	407.136	4.510	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(C(=O)Nc2ccccc2)cc1	775582099	SYRBGPXJEAXGFE-UHFFFAOYSA-N	416.268	4.789	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(Oc2ccc(Cl)nn2)cc1	775621482	ZHLCKKUTGCQCTM-UHFFFAOYSA-N	406.833	4.619	50	20	HJGD	
CNC(=O)c1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	782911363	YXKYDOLJBAYEIM-UHFFFAOYSA-N	416.393	4.504	50	20	HJGD	
CC(C)(C)CN(CCCO)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978596	DNHOKKMDNCJYDF-UHFFFAOYSA-N	411.458	4.763	50	20	HJGD	
Cc1ccc(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c(F)c1	783463537	SFJWHRLPNWSBIM-UHFFFAOYSA-N	419.368	4.910	50	20	HJGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NNc1ccc(OC(F)F)cc1	784309211	ZHSJRLLTINKHRQ-UHFFFAOYSA-N	423.485	4.569	50	20	HJGD	
O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)NNc1ccc(F)cc1	786729023	MHESUTWSFYYWFN-UHFFFAOYSA-N	409.248	4.649	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCC#N)cc1)c1ccc(Cl)cc1Cl	787146560	ZMNNLTGTQKRDRZ-NWFCWYBLSA-N	400.265	4.680	50	20	HJGD	
Cn1cc(C(=O)NNc2cccc(C(F)(F)F)c2)c(-c2ccc(Cl)s2)n1	789817325	LJJALQBUNXUDFQ-UHFFFAOYSA-N	400.813	4.578	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccnc(Oc2ccccc2Cl)c1	790507548	CENXLHKKDAIHHN-UHFFFAOYSA-N	417.784	4.723	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)c(Cl)cc2OC)c1C	792635581	SACMAPQKDRRRAV-NVNXTCNLSA-N	422.312	4.612	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2sc(N3CCCC3)nc2s1	793779222	LCMDODJSTXCMKI-UHFFFAOYSA-N	409.540	4.572	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1	794948698	MXMRTKVJTNSUQE-UHFFFAOYSA-N	413.477	4.676	50	20	HJGD	
CSc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	798733621	VFKUEFLVHVFONJ-OVNDKOCRSA-N	423.582	4.790	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2sc3ccccc3c2Br)c1	810548788	BXQDCGCOYNKCLS-UHFFFAOYSA-N	420.357	4.604	50	20	HJGD	
CCCCCC/C(C=NNC(=O)c1nn(C)c(=O)c2ccccc12)=C/c1ccccc1	812420163	UTQBZIXHCQUKQW-GPUCESTJSA-N	416.525	4.703	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc3ccccc23)c1C	914478327	HPKKUIZMISCOPH-ZMPUUUETSA-N	401.510	4.689	50	20	HJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC(=O)C3CC3)c(OC)c2)c1C	915860317	RPDIOGAVOFSNER-UNOMPAQXSA-N	406.482	4.629	50	20	HJGD	
Cc1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2C)cc1	916326922	ZHMRVWFCGKEJHS-UHFFFAOYSA-N	424.504	4.685	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)C2CCCC2)c1C	916496513	GQISQFQPBRVCHJ-HDMRQQGGSA-N	405.542	4.706	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc(Oc3ccccc3)nc2)cc1	918678766	FSMFIUXUGASCPU-UHFFFAOYSA-N	420.538	4.848	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1	918713715	QMGBDXCDGRYSKS-OVCLIPMQSA-N	422.872	4.601	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	920046023	AJQKKDPRNJJPFT-KRWDZBQOSA-N	420.321	4.789	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2cccc(C(=O)O)c2)c1)c1ccc([N+](=O)[O-])cc1	1318308013	MAQDMJOTBARCDF-RGVLZGJSSA-N	400.390	4.936	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(Oc2ccc(Cl)cn2)cc1	1320054962	MPYYUQGVYQSAMF-UHFFFAOYSA-N	405.788	4.886	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc4c(c3)CCC4)cc2)n1	1329968089	YQQMIQZKJSKCEQ-UHFFFAOYSA-N	416.550	4.638	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NNc3c(F)cccc3Cl)cc2C1	1338562851	CSBANCANLUSUJQ-UHFFFAOYSA-N	419.884	4.529	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)c(C)n1CC(C)C	726511002	SMAQEMDDNSMZAC-YBUWHMKRSA-N	405.542	4.704	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NNC(=O)CCc1ccccc1O	729935215	NQSZSOKHZUBZFN-UHFFFAOYSA-N	424.504	4.636	50	20	HJGD	
O=C(Nc1ccc(C(=O)NNc2ccccc2)c(O)c1)c1ccc(Cl)c(Cl)c1	732265508	ILXRFDNEPHYRLD-UHFFFAOYSA-N	416.264	4.708	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1cc(-c2ccccc2Cl)nc2ccccc12	734261626	QHWCVWYWSQKGQP-UHFFFAOYSA-N	410.264	4.756	50	20	HJGD	
Cc1ccc([C@H](O)CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)o1	741397799	WJDYTKPUCASYRP-BXUZGUMPSA-N	408.829	4.662	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1cc(C)ccc1F)c1cccc(C(F)(F)F)c1	743822258	AWJJYRNBTPVMTF-XFXZXTDPSA-N	411.424	4.574	50	20	HJGD	
COc1ccc(NNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)cc1	746883737	UWDRFRLEFWMNCZ-UHFFFAOYSA-N	412.493	4.672	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(CNC(=O)c2cccs2)cc1	748017763	QUOCITGZFGUXRG-UHFFFAOYSA-N	420.321	4.742	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccccc1Br)c1ccsc1	748065450	BMXCBBHYSYNIGI-UHFFFAOYSA-N	416.300	4.520	50	20	HJGD	
Cc1nc(CCC(=O)NNc2cccc(F)c2)oc1-c1ccc(Br)cc1	748088224	BZCUPHSSDATQHQ-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2)s1)C(=O)Nc1ccc2c(c1)OCCO2	750893705	SGHAAIPHSRYTCQ-PTNGSMBKSA-N	406.438	4.871	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1ccc(Oc2cccc(Cl)c2Cl)nc1	754480439	RODMHHFABQWHAC-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
N#Cc1cc(F)c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c(F)c1	755350928	ZUCNTJCOIXBKMY-UHFFFAOYSA-N	421.028	4.663	50	20	HJGD	
O=C(NN=Cc1cnc([C@@H]2CCCO2)s1)c1cc(-c2ccco2)nc2ccccc12	755535318	XWDKDBVACXAXNB-FQEVSTJZSA-N	418.478	4.567	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1)c1ccccc1	756774983	NAWIHCZWGQUWRE-HXUWFJFHSA-N	418.497	4.837	50	20	HJGD	
CN(C)CCC1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	758539186	XFCABFJUDSRZHT-UHFFFAOYSA-N	422.485	4.696	50	20	HJGD	
CCOc1ccc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762639419	GCTSONNXBSZHON-UHFFFAOYSA-N	424.391	4.998	50	20	HJGD	
O=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cn2c(n1)CCCC2	766547288	IWXXLLGPZKOWIK-UHFFFAOYSA-N	403.398	4.678	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cl)cc1OC	767717194	IUEIZMBIWDUVHC-KPKJPENVSA-N	421.678	4.665	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccccc2F)cc1NC(=O)C1CCCCC1	770031557	CMEIDUBNMTZPLB-UHFFFAOYSA-N	400.454	4.502	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	774334864	FXULLNAUHNNLJO-OAHLLOKOSA-N	405.848	4.577	50	20	HJGD	
CC(C)c1noc(-c2ccc(NC(=O)NNc3ccccc3OC(F)(F)F)cc2)n1	779419094	IEADYOIQNWNCHK-UHFFFAOYSA-N	421.379	4.907	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cccc(Cl)c1OCC	779798743	NRCWQYZFUNQYNS-GDNBJRDFSA-N	400.862	4.650	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H]1CN1CCCC1	782978340	GRZFZKNCBAYYDF-CYBMUJFWSA-N	420.469	4.593	50	20	HJGD	
COCCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	786669945	PPLHXMRDAGZRFN-QNGOZBTKSA-N	417.484	4.968	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2csc(-c3cccc(OC)c3)n2)cc1	787153482	DXHFYXUVMCCECP-JQFNYASXSA-N	419.506	4.612	50	20	HJGD	
CCc1cccc(Cl)c1C=NNC(=O)CSc1nc2ccccc2n1CC	788717812	BQGHKLFXMQRGTD-UHFFFAOYSA-N	400.935	4.514	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1-n1cncn1)C(=O)Nc1cccc(Cl)c1Cl	794930520	DJHXNFAEGYIQQA-SDQBBNPISA-N	418.671	4.773	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccccc1	804210554	GCBZDIOANFLRHL-UHFFFAOYSA-N	400.404	4.583	50	20	HJGD	
CCCN(NC(=O)c1cc(-c2cccnc2)nc2ccccc12)C(=O)OC(C)(C)C	804592623	RTRMECLGPZFFFB-UHFFFAOYSA-N	406.486	4.589	50	20	HJGD	
O=S(=O)(NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1cccc(S(F)(F)(F)(F)F)c1	813722349	QSVNIXGTSSTYMM-SLEUVZQESA-N	421.453	4.564	50	20	HJGD	
Cc1ccccc1-c1cc(C(=O)NNc2cccc(Cl)n2)c2cnn(C(C)C)c2n1	817009047	SDGHTNWETCILMK-UHFFFAOYSA-N	420.904	4.793	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1c(F)cccc1Cl	912567610	FLQJYDOSKXDYAA-UHFFFAOYSA-N	419.843	4.769	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3cccc(C#N)c3)c2C)cc1	914490770	IENHDFWRBPTRTN-UCQKPKSFSA-N	424.504	4.540	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(CCc2ccccc2)C2CCCC2)c1C	914519300	ZMTWJPQRDHMFPC-HKOYGPOVSA-N	419.569	4.672	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)cc1	915863651	DVQAPUVTXVDWTN-STZFKDTASA-N	412.493	4.907	50	20	HJGD	
Cn1c(-c2ccccc2)c(C=NNC(=O)CNc2ccccc2F)c2ccccc21	915918927	DVGWJTOISCNEEI-UHFFFAOYSA-N	400.457	4.547	50	20	HJGD	
CCOc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(F)F	916152846	QCYVAPYMUGKHOK-DHDCSXOGSA-N	413.829	4.678	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)cc(OCC)c1OCC	916290576	ZMKMIPQGZPWSPB-SJORKVTESA-N	402.535	4.959	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1	916491821	IKUWFXKPBBSQCJ-OAHLLOKOSA-N	424.451	4.533	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(-c3ccc4ccccc4n3)o2)c1C	1257663026	WFZCBLKJDKOXFG-DDLUMYACSA-N	413.481	4.975	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1	1824616348	KBWRRPDUASLYMO-VXKWHMMOSA-N	419.009	4.944	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)c1C	205774034	RAEXTXYGIKKIPU-SYHWEURASA-N	405.498	4.637	50	20	HJGD	
C=CCOc1ccc(C=NNC(=O)c2ccc(F)cc2Br)cc1Cl	727255002	HFWQEYGCBQWHAO-UHFFFAOYSA-N	411.658	4.570	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)C(=O)c1ccc2c(c1)OCO2	731317677	CUBAQIGSDFOLTC-FBHDLOMBSA-N	408.413	4.656	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(OC(F)F)c(Cl)c2)c1C	731489633	ILEIOCUKOYMQHG-QPEQYQDCSA-N	422.815	4.853	50	20	HJGD	
CC[C@@H](C)CN(C)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	731998712	ZUUYSUJVUMBSBU-UWCCDQBKSA-N	409.921	4.529	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1	733922486	FREXDRZIJCHWLF-UHFFFAOYSA-N	403.954	4.546	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(-c2ccccc2)nn(C)c1Cl	734752275	CSUGSEZSZHTDCK-DTQAZKPQSA-N	406.873	4.685	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(Br)cc2Cl)cc1Cl	741463477	CDFBLEPEOCJWMD-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
CCCc1ncc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)s1	742005313	SZJAMILURHBYPA-UHFFFAOYSA-N	409.136	4.922	50	20	HJGD	
CC[C@H](NC(=O)NNc1c(F)cc(F)cc1Br)c1ccccc1OC	745506050	MFEJFLRZYJQWCW-AWEZNQCLSA-N	414.250	4.513	50	20	HJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1	750801577	PLVBVVXVMMOVQB-SCDVKCJHSA-N	401.844	4.833	50	20	HJGD	
CN(CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CC(F)(F)F	752979391	AIFJVMNPBCFKHJ-UHFFFAOYSA-N	401.323	4.960	50	20	HJGD	
O=C(NCc1ccco1)NNC(=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1	759163357	CDOLWHHGZXBCDM-UHFFFAOYSA-N	420.252	4.523	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCOCC2(CCC2)C1	759931380	OBOABVVYDFKLTP-AWEZNQCLSA-N	408.873	4.940	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@@H](c1cccnc1)C1CC1	762666619	DXWLVCISPOGDRC-OAHLLOKOSA-N	421.391	4.945	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	769971220	RCSSAWCNHOLYOO-UHFFFAOYSA-N	418.350	4.644	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2ccoc2)c1	769992322	FJVJBNQTFMDMQN-UHFFFAOYSA-N	405.241	4.987	50	20	HJGD	
COc1cc(CCC(=O)NNc2c(F)cccc2Cl)ccc1OCC(F)(F)F	770197984	NJLXVCPEFOMJLW-UHFFFAOYSA-N	420.790	4.505	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(Br)n1	771453945	QDIQMYJTHSFCFG-MFOYZWKCSA-N	415.335	4.773	50	20	HJGD	
O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NNc1ccc(OCC(F)(F)F)cc1	772818697	XJKPAHPJTKMDSZ-HNNXBMFYSA-N	423.218	4.501	50	20	HJGD	
CN(C1CCC(CO)CC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778008513	QTXIUVUWAXBICW-UHFFFAOYSA-N	409.442	4.516	50	20	HJGD	
C[C@@H](CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1nccs1	778073922	POWCJJVTZZSKDG-VIFPVBQESA-N	408.439	4.883	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1C	778130285	PKOXYQIHUWFHQH-SJJURFEFSA-N	413.484	4.703	50	20	HJGD	
CCC[C@H]1C[C@H](C(=O)NNc2c(Cl)cc(Br)cc2Cl)CCO1	779921276	BEBQSHVIPXWZJT-KOLCDFICSA-N	410.139	4.794	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)c(C)n1CC(C)C	781060419	UWKITWUKDFYRDP-IMURNMJZSA-N	407.562	4.639	50	20	HJGD	
COc1ccc(NNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)nc1	781537861	WYIUKZWNVBPWAY-UHFFFAOYSA-N	401.797	4.734	50	20	HJGD	
Cc1nc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)sc1C	782979167	HWFMMUOTDRGJLU-UHFFFAOYSA-N	408.439	4.896	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2F)cc1OC	786052693	HHVNRMFNHPRBHA-VIZOYTHASA-N	420.843	4.639	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1C)c1ccc(Cl)cc1Cl	787177484	KRDKSKDVGKTTRS-CBVZUMJXSA-N	418.111	4.818	50	20	HJGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c(Br)c1	789149518	ZHURKZCTZVIXQR-IZZDOVSWSA-N	410.676	4.740	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccc(C(F)(F)C(F)(F)F)cc1	790505780	YQIFEMJQIAFCIG-UHFFFAOYSA-N	408.258	4.537	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccc(COc2ccc3ccccc3c2)o1	805461862	QAECHANLVUOBQU-UHFFFAOYSA-N	414.465	4.826	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1nc2ccccc2cc1Br	809729576	KIMQVZRPQLXRBC-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1ccc(OCCCCl)cc1	811470286	XHNJVVLMTGRANG-UHFFFAOYSA-N	414.855	4.907	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3c(C)nn(C)c3Cl)n2)c1	812488342	WBJXIRXDGKUYTQ-ZSOIEALJSA-N	411.918	4.668	50	20	HJGD	
COc1ccc(NNC(=O)c2c[nH]nc2-c2ccccc2Cl)c(C(F)(F)F)c1	816702950	JFCFPGXPEGINPN-UHFFFAOYSA-N	410.783	4.514	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(Cl)ccc2OC(C)C)c(C(F)(F)F)c1	816703205	UJMXGJGAKLPDMD-UHFFFAOYSA-N	402.800	4.912	50	20	HJGD	
CCCCCCOc1ccc(C(=O)NNC(=O)NCc2ccc(Cl)s2)cc1	916594650	IDXRFKJSEUKKGA-UHFFFAOYSA-N	409.939	4.505	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1	916613766	VSABZJAYAYXWAP-QUYZQLMHSA-N	417.490	4.596	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N(CCO)Cc1ccccc1	916676704	GCRGBGMLYSJKFL-INIZCTEOSA-N	418.868	4.932	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)NNc2ccccc2C(F)(F)F)cnn1-c1ccc(F)cc1	918210749	YKPNSBNOOSPLSM-GFCCVEGCSA-N	421.398	4.726	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1C	920208123	ANYNROOBKJWWFO-AWEZNQCLSA-N	409.477	4.834	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccccc34)CCC2)cc1	1786444197	DZZTXKKFORHRML-GOSISDBHSA-N	424.932	4.718	50	20	HJGD	
Cc1occc1C(=O)Nc1ccc(C2(NC(=O)[C@@](C)(Cl)CCl)CCC2)cc1	1787364486	CYEPWARYIMWPKA-IBGZPJMESA-N	409.313	4.572	50	20	HJGD	
Cc1ccc(C)c(CC(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)c1	1788588028	VRJXATDTILYNFA-HXUWFJFHSA-N	402.897	4.514	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cccc2ncccc12	1788903867	PMYGMGRMEIVNRG-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cccc3F)CCC2)cc1	1790489952	NJOYFGRITHNAPY-OAHLLOKOSA-N	406.860	4.730	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1	1824618616	KDBBJJSWQLMSIH-PLMQIDHYSA-N	423.041	4.984	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828409312	WKHIENFJGMWIAX-GOSISDBHSA-N	414.993	4.544	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2C)CC1	1830641840	QZXLLQRGKJTNMA-WOJBJXKFSA-N	404.982	4.554	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)/C=C/C2CC2)C1	1841374495	BDNQDEXIPZLLES-BUHFOSPRSA-N	409.014	4.906	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccccc1C(=O)c1ccc(Cl)cc1	110783629	VNJSOONEXRNPNO-UHFFFAOYSA-N	404.775	4.745	50	20	HJGD	
O=C(CCOc1ccc(Cl)c(Cl)c1)NNC(=O)c1c(Cl)cccc1Cl	727792097	JQNBEPRCCPNVQQ-UHFFFAOYSA-N	422.095	4.530	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)c2nccs2)c1C	728848818	DVWZSWMZUOSMIF-OKPNHQCWSA-N	404.539	4.784	50	20	HJGD	
O=C(Cn1ccc2ccccc21)NN=Cc1sc(Oc2ccccc2)nc1Cl	729637425	ANJLFAJCMRIHJK-UHFFFAOYSA-N	410.886	4.694	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc(F)cc2)cc1F	729944482	QRCURCRLTNOKSE-UHFFFAOYSA-N	410.464	4.609	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2ccc(Br)s2)c1	730436343	IMZKUIFJBMHYMA-GHXNOFRVSA-N	414.284	4.699	50	20	HJGD	
CCc1cc(NNC(=O)c2oc3ccc(Cl)cc3c2C)nc(-c2ccccn2)n1	734356731	HHUJEHHEBWKSAX-UHFFFAOYSA-N	407.861	4.566	50	20	HJGD	
Cc1ccc(C)c(Oc2ccc(CNC(=O)NNc3cc(F)c(F)cc3F)cn2)c1	734659122	QFAJJSYGRUAQOB-UHFFFAOYSA-N	416.403	4.734	50	20	HJGD	
CC(C)C[C@H](C(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	740784536	JODMPBOIDRGTLC-INIZCTEOSA-N	423.738	4.693	50	20	HJGD	
CC(=O)Nc1ccc(OC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c(F)c1	742837423	WOTIBUBIMFMTMM-YBFXNURJSA-N	411.477	4.761	50	20	HJGD	
CCc1cc(NNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)nc(-c2ccccn2)n1	747592703	VFHUZXXPYPKMKP-UHFFFAOYSA-N	421.810	4.530	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	748584863	VNDWERKRBNDFQW-XYOKQWHBSA-N	406.225	4.846	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCn1c(=O)oc2ccccc21	748667243	JWLJCWPOPSSRPM-UHFFFAOYSA-N	409.511	4.711	50	20	HJGD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)NNc3cccc4cnccc34)c12	748759387	PVMAYODKIPEXIA-UHFFFAOYSA-N	413.437	4.740	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CCCC2)c(C)n1C[C@H]1CCCO1	749138367	RJOZVSRCJQDCNH-ZMUHTPIZSA-N	423.479	4.524	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNC(=O)c2cc3ccccc3o2)n1	749479067	YRHYMBHDULUYLQ-UHFFFAOYSA-N	423.519	4.565	50	20	HJGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1	751515880	GFMKBZGUNAQDIB-GOSISDBHSA-N	400.906	4.760	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)/C=C\c1nc2ccccc2s1	753172021	BEWLLAUZSHKWCU-KTKRTIGZSA-N	402.317	4.778	50	20	HJGD	
COc1cc(C(=O)NNc2c(Cl)cccc2Cl)ccc1OCc1cscn1	763611319	YSNWIYASRHZRRQ-UHFFFAOYSA-N	424.309	4.794	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1C	766563123	DKZLUBHQSZHMHX-WNOSOOIWSA-N	416.500	4.862	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCOc1ccc2c(c1)OCO2	769658262	WPZMZGXOHOLLSK-UHFFFAOYSA-N	412.511	4.911	50	20	HJGD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H](C)S1	773332256	HBUFMPORFCRWOI-NXEZZACHSA-N	404.426	4.635	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])c(OC)c3)o2)c([N+](=O)[O-])c1	774560572	LXXZGIQNDKBNNO-ZROIWOOFSA-N	421.365	4.844	50	20	HJGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c1OC(F)F	777871324	KTFSXWTYNCWCSX-DHDCSXOGSA-N	412.421	4.661	50	20	HJGD	
N#Cc1ccc(NNC(=O)CCCCC(=O)c2ccc(F)cc2)cc1C(F)(F)F	779010779	BNGZMMVKRWSASM-UHFFFAOYSA-N	407.367	4.603	50	20	HJGD	
CCC1(O)CCC(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782988440	SWQIEZDSCJYGAK-UHFFFAOYSA-N	409.442	4.706	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1cccc(Oc2ccccc2)c1	784824491	XWJWSGOWSZGSTM-UHFFFAOYSA-N	415.371	4.580	50	20	HJGD	
N#C/C(=C\c1cccc(C(=O)O)c1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	787166689	CJCLKMSYKLCQEH-IZZDOVSWSA-N	416.669	4.683	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cn(C(C)(C)C)nn2)c(C)n1Cc1ccccc1Cl	790215006	MQGIOMZQKJJJKI-WOJGMQOQSA-N	421.932	4.943	50	20	HJGD	
COCCN(C)c1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1	790216145	STHUUUMSGAPWBF-ZROIWOOFSA-N	418.444	4.857	50	20	HJGD	
COc1ccc(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c(O)c1	797611786	ALUFLKJPMCXQFY-OAHLLOKOSA-N	420.840	4.942	50	20	HJGD	
CSc1cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)ccc1F	804210762	WHLADRDYFAISCE-UHFFFAOYSA-N	422.407	4.780	50	20	HJGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNc1nccnc1C1CCC1	805470233	ROLAWUUBOMPIDT-UHFFFAOYSA-N	400.482	4.517	50	20	HJGD	
Cc1cccc2cc(C(=O)NNC(=S)Nc3cccc(Br)c3)sc12	808374639	UYZOEOOGEYTEHC-UHFFFAOYSA-N	420.357	4.604	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1sc2ccccc2c1Br	810426964	VRJDJIVBXXZPLW-UHFFFAOYSA-N	416.222	4.835	50	20	HJGD	
CN(C(=O)c1ccncc1)c1ccc(CNCc2ccc(OCCCCl)cc2)cc1	811481272	UORFFAOGQUXNIN-UHFFFAOYSA-N	423.944	4.656	50	20	HJGD	
N#C/C(=C/c1csc(-c2cccc(Br)c2)n1)c1ccc([N+](=O)[O-])cn1	812245033	LXYCGHPNHHSPIS-GHXNOFRVSA-N	413.256	4.940	50	20	HJGD	
CCOC(=O)[C@H]1CCCc2sc(NC(=O)CCCC[C@H]3CCSS3)nc21	817497673	XIWFXNBSDHOCMN-STQMWFEESA-N	414.618	4.779	50	20	HJGD	
CCCN(Cc1ccc(F)cc1)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	914505995	KEZYGKYPRDLALP-QLTNSANVSA-N	411.521	4.797	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NN=Cc2ccccc2OCc2ccncc2)cc1	914691946	ISNFEXRXGNUXBG-UHFFFAOYSA-N	417.509	4.849	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)NCc2ccc(-c3ccccc3)o2)cc1	918095467	BINFFDNSZAYPML-UHFFFAOYSA-N	421.497	4.516	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3cn(C)nc3-c3cc4ccccc4o3)cc2C1	920368363	VPRGSRUZXYGOOG-CQSZACIVSA-N	418.522	4.784	50	20	HJGD	
Cc1csc(CCCNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)n1	1115950170	CEMUREQIHIEUNN-UNOMPAQXSA-N	422.529	4.654	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccc(F)cc1)C(C)C	1802146928	NTCCSUSXGSOMIR-SSTJLMRISA-N	422.972	4.611	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2cccs2)n[nH]1	1822703831	OTKFTBNABNEPGO-IJEWVQPXSA-N	422.982	4.675	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1	1824009996	COSMQACRTLXRHW-WOJBJXKFSA-N	422.972	4.582	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1	1828346710	XLAHTVWTJURGGU-HKBOAZHASA-N	409.014	4.760	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2C)CC1	1830309847	MFLHBYFJHGUWFB-NHCUHLMSSA-N	404.982	4.554	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)s1	16490422	IOYQETPTWIUHSD-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc(Br)c1O	44027051	YIVACQAGLMDAQE-WCIBSUBMSA-N	415.218	4.574	50	20	HJGD	
CC1(C)OB(c2cnn(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)OC1(C)C	203736788	ATWMPDRWZDGUHN-UHFFFAOYSA-N	406.452	4.688	50	20	HJGD	
CCn1c(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)nnc1-c1ccco1	213748110	DPPGKHSXCOSOAK-ORVAQUOPSA-N	423.523	4.561	50	20	HJGD	
O=C(NN=Cc1ccncc1)c1ccc(CSc2nc3ccccc3s2)cc1	254400770	VVFOEPVUWIDJPG-UHFFFAOYSA-N	404.520	4.748	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cc(-c3ccccc3)on2)c(C)n1CC(C)C	726776318	GWVVXQNAGHYGCE-SRZZPIQSSA-N	402.498	4.639	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccccc1Oc1cccnc1	727174635	UOOGJCFDLNCMIB-UHFFFAOYSA-N	406.511	4.629	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NNC(=O)CCCc1ccccc1	727843025	QACQJLMWVOGRIE-KRWDZBQOSA-N	422.554	4.533	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccc(-c2ccc(Br)cc2)s1	730289180	ZXVUYDKRHHERIG-UHFFFAOYSA-N	424.323	4.905	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@@H]2CCCOC2)c(C)n1-c1cccc(Cl)c1	730793684	UQKHIOQOXAIPAO-ISRVBRPNSA-N	411.933	4.540	50	20	HJGD	
Cc1ncsc1CN(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	731173177	MOUFIVDKCKHJEU-VCHYOVAHSA-N	408.502	4.564	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cc(Br)ccc1OC(F)F)c1ccccc1	732716584	VWVNIKQRNIHHEG-LCYFTJDESA-N	407.214	4.620	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)N(C)c3ccccc3)c2)cc1	732716665	XJHOAVPYLZTHKK-HMMYKYKNSA-N	411.461	4.517	50	20	HJGD	
COC[C@H]1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C1	733177850	XQAMJPUJPVMWTC-PQFHHTBUSA-N	411.933	4.540	50	20	HJGD	
C[C@H]1CCCC[C@H]1N1CCC(=NNC(=O)c2ccc(COc3ccccc3)o2)CC1	733907664	SABADAVENFPXQH-PGRDOPGGSA-N	409.530	4.619	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OCC2CC2)c(C)n1C[C@H]1CCCO1	740808735	IYIVAGTWOVZXIB-MUIAGPEESA-N	419.525	4.618	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc(F)cc2Br)c(OC(F)F)cc1C	743437768	HVEFSGPHQBXZNC-UHFFFAOYSA-N	415.209	4.570	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1nccnc1-c1nc2ccccc2s1	747588973	WTTZOHDEMDVUJJ-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
Cc1ccc(C(=O)CCC(=O)CCC(=O)NNc2ccc(C(F)(F)F)cc2)s1	747613686	CLXAFVUQJGMUGG-UHFFFAOYSA-N	412.433	4.531	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cccc(Oc2nccs2)c1	748731475	LZYFSIXFGUKCPW-UHFFFAOYSA-N	404.289	4.763	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2C)c(Br)s1	748744380	QTWNQQQJHBHYDX-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
O=C(NN=C1CCCc2cc(SC(F)F)ccc21)c1nnc(-c2ccccc2)o1	750936936	ZMZXQBSDUYDXGY-UHFFFAOYSA-N	414.437	4.522	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](C)c2nccs2)c(C)n1-c1ccccc1F	754735649	IVWFRKQWZRRNTB-BGARDKSCSA-N	408.502	4.517	50	20	HJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)C(=O)Nc1ccccc1Br	761387377	VRGOEOXDVWBJQG-YRNVUSSQSA-N	404.626	4.659	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCCC(Cl)(Cl)Cl)c1C	767410103	BEQVORZBJWXCCS-PWDRSIHYSA-N	407.725	4.523	50	20	HJGD	
Cc1nc(O)cc(-c2ccc(NC(=O)NNc3c(Cl)cc(F)cc3Cl)cc2)n1	768070065	KBUAVAZDGQQDBT-UHFFFAOYSA-N	422.247	4.752	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2cc(C#N)cc(Cl)n2)cc1OCC	768704352	MUFJANIWZXQFMR-UHFFFAOYSA-N	423.300	4.595	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)cc1Br)c1ccc(Br)s1	769797375	SCJVGKUTXVRTMG-UHFFFAOYSA-N	422.529	4.690	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C#N)C(=O)c2cccc(F)c2)cs1	772177940	CQUSGXRFOXIQJO-XNTDXEJSSA-N	409.417	4.896	50	20	HJGD	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NNc1ccc2ccccc2n1	777465173	ARSZVZDPJHRUPN-UHFFFAOYSA-N	424.913	4.989	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@@H](c1cccc(F)c1)c1ccccn1	779654823	DVJYJYNCYFNBTL-SFHVURJKSA-N	420.366	4.535	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c2cnn(Cc3cccs3)c2n1	780808576	IUADSYZZMUOCPP-UHFFFAOYSA-N	419.554	4.904	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cn(C)nc2-c2ccccc2)c1C	782480829	YOHSRKJBCIPBGN-HYARGMPZSA-N	415.541	4.529	50	20	HJGD	
Cc1cc(Br)c(NC(=O)c2c(C)nn(CCCl)c2C)cc1Cl	782595975	KUTSUFNWXQXNRU-UHFFFAOYSA-N	405.123	4.715	50	20	HJGD	
Cc1nc(C)c(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)s1	783463919	XGKUQPOUICRWAQ-UHFFFAOYSA-N	422.422	4.536	50	20	HJGD	
CC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	797643555	YOTVSJJCPKGYDK-LBPRGKRZSA-N	401.401	4.724	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H](Sc1ccccc1F)c1ccccc1	803432340	AWVFWNNKUANXMA-NRFANRHFSA-N	419.481	4.644	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(C)cccc1Br	813516064	RXLZUSJXRDLLAM-UHFFFAOYSA-N	412.125	4.839	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc3c2CCCC3)c(C)n1C[C@H]1CCCO1	854931960	UKSJPSPZRXWGNE-ZPWPBLDLSA-N	403.526	4.708	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1	857474046	PHMMYRBCQJXXOR-UHFFFAOYSA-N	420.366	4.749	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNc1ccc(F)cc1F	876974887	WRWBGSXUSBOKFV-UHFFFAOYSA-N	411.239	4.582	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)c3cc4c(s3)CCC4)c2Cl)cc1	916315624	XOHFYGFUHCHUSB-UHFFFAOYSA-N	412.946	4.516	50	20	HJGD	
CCc1ccc(C(=O)NN=Cc2cccc(NC(=O)c3ccccc3Cl)c2)cc1	916329737	VGHIXSLXPMBEFZ-UHFFFAOYSA-N	405.885	4.919	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCSc3ccccc32)c(C)n1C[C@@H]1CCCO1	917513617	OPWCBOKEFRZSRJ-FCUASCOBSA-N	421.566	4.544	50	20	HJGD	
Cc1cc(C)c(NNC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c(C)c1	918107852	XNZKYYZOKFXDFY-UHFFFAOYSA-N	420.488	4.830	50	20	HJGD	
Cc1ccc(OCc2nc(C=NNC(=O)Cc3ccc4ccccc4c3)cs2)cc1	920375004	ODOBJCUIYAJZGE-UHFFFAOYSA-N	415.518	4.877	50	20	HJGD	
O=C(CCNc1ccccc1)NNc1c(Cl)cc(Br)cc1Cl	1252134719	VZYJWNXXNASWJC-UHFFFAOYSA-N	403.107	4.701	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1	1323829128	GJPPRSDKXVNMMD-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCc4ccoc4C3)CCC2)cc1	1790484076	CSYNTBLYTXSXHZ-LPHOPBHVSA-N	414.933	4.536	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CCC3)CCC2)cc1)C(Cl)Cl	1791602786	BLCNYVWRFOKUIL-UHFFFAOYSA-N	423.262	4.657	50	20	HJGD	
C[C@@H](C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1)c1ccccn1	1791938692	FXIGFYPWDTYUMN-MRXNPFEDSA-N	413.949	4.584	50	20	HJGD	
C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1	1814439985	IBYJKAXSZWOINX-MRXNPFEDSA-N	408.974	4.659	50	20	HJGD	
N#C/C(C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1)=C1/Nc2ccccc2S1	115199040	XBXBEWRFAYCBES-XMHGGMMESA-N	408.483	4.830	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cccc(O)c2)c(C)n1-c1ccc(F)cc1	725887605	RRXUYSZVJSWBLV-DEDYPNTBSA-N	403.457	4.504	50	20	HJGD	
CC(=NNC(=O)Cc1csc(C)n1)c1sc(-c2ccc(Cl)cc2)nc1C	727648482	GVLNHTSTTDHALC-UHFFFAOYSA-N	404.948	4.620	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccccc1SCc1cccs1	728081141	BIMWYWRQKNMFJS-UHFFFAOYSA-N	408.508	4.847	50	20	HJGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	728513453	JYMJARUMMNCTOV-AWEZNQCLSA-N	412.486	4.518	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1csc2ccccc12	730067421	ZPRUOXBWTDOCFD-JTQLQIEISA-N	408.310	4.913	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-]	730151895	SOQPGGPDXLPGHZ-LGMDPLHJSA-N	415.405	4.941	50	20	HJGD	
Cc1nc(CCC(=O)NNc2ccc(F)cc2)oc1-c1ccc(Br)cc1	730207972	AUVPTJQPTUQKIJ-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(CCCl)cc1	732524403	AUNHXBMBHLIYHF-UHFFFAOYSA-N	410.923	4.616	50	20	HJGD	
CSc1ccc(N(C)C(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	732939105	KLMCZJIXOMVKMS-YMFQVDJJSA-N	409.555	4.576	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c3ccncc3)c2C)cc1	735961355	QCHVUSLSJOMZQN-MKYLKIGJSA-N	401.466	4.709	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3ccccc3F)CC2)c1C	736039541	GQJGBLHNAWKWLV-OVBDPADQSA-N	423.532	4.765	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cn(Cc4ccccc4)nc3-c3cccnc3)nc12	741469344	LMKLMMUKHWBOKO-UDWIEESQSA-N	417.476	4.637	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(Br)s1	741771520	NAMSSQFPZZZPCE-UHFFFAOYSA-N	404.236	4.658	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc2c(F)cccc2s1	741981647	UVJKYDMTNSXWTI-UHFFFAOYSA-N	401.207	4.838	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3nc(C)cs3)c2C)cc1	744312557	CQYCAVOTNMIKJS-VCHYOVAHSA-N	407.495	4.518	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCn2ccnc2C(C)C)c(C)n1C1CCCCC1	744462236	APIZRDATEQRGII-RCCKNPSSSA-N	407.562	4.653	50	20	HJGD	
C=CCN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1cccc(C#N)c1	745168979	DOZNHPDMLIDGFG-UHFFFAOYSA-N	400.462	4.560	50	20	HJGD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	748004692	NQSQTFYMQFAYFE-UHFFFAOYSA-N	404.430	4.833	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2ccc(F)cc2Br)s1	748075087	VHXHIRAHDPMKHL-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1cccc(Nc2ccccc2)c1	748337289	DNIKSBQGVVSIDQ-UHFFFAOYSA-N	422.492	4.528	50	20	HJGD	
Cc1nn(Cc2ccccc2)c2sc(C(=O)NNc3cccc4cnccc34)cc12	748769540	JQJCEZDDCUQCKD-UHFFFAOYSA-N	413.506	4.760	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(Br)c(C)c2)cc1-c1ccccn1	755181062	DBUDMNUMFDGNQT-UHFFFAOYSA-N	412.287	4.585	50	20	HJGD	
CCSc1cccc(NC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1	756576264	LTBUYXVNOJIGCF-UHFFFAOYSA-N	421.522	4.697	50	20	HJGD	
COC(=O)c1cc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c(C)o1	762458380	YSEQGWREVQKCLE-UHFFFAOYSA-N	421.365	4.833	50	20	HJGD	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)oc1C	766547286	IUYNZAAPLQFSFP-UHFFFAOYSA-N	421.365	4.833	50	20	HJGD	
COc1cc(/C=C(\C(=O)OC[C@H](C)CBr)c2ccccc2)ccc1O	770344466	LVFKEBPJXQBLOM-AYCSXLNKSA-N	405.288	4.516	50	20	HJGD	
COc1cccc(Oc2ccc(CNC(=O)NNc3c(F)cccc3Cl)cn2)c1	771289781	JQHCELNMMTZEKV-UHFFFAOYSA-N	416.840	4.501	50	20	HJGD	
C=C(C)[C@@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1	773261543	IYLWCBBGCDWNRV-MRXNPFEDSA-N	414.239	4.533	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(C[S@](=O)c2ccccc2)c1	775624161	TURVMHIOKUHUCJ-PMERELPUSA-N	416.506	4.691	50	20	HJGD	
O=S(=O)(Nc1ccc2oc(O)nc2c1)c1cccc(S(F)(F)(F)(F)F)c1	777604340	WZGRRNSROLMUIZ-UHFFFAOYSA-N	416.349	4.992	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2cc(Cl)ccn2)c(-c2ccccc2Cl)n1	778449480	RBUHEJPFBGRRGE-UHFFFAOYSA-N	404.301	4.764	50	20	HJGD	
O=C(NN=Cc1ccc(SC(F)F)cc1)c1ccc(F)cc1Br	781590365	YQQQSJOKESFIOK-UHFFFAOYSA-N	403.223	4.667	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)[C@@]1(C)CCCO1	782114734	SPBWBXMYHSHMND-JOCHJYFZSA-N	408.527	4.530	50	20	HJGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)NNc1ccc(Br)cc1	783009191	IIBBYHVSDCCTAT-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785083683	YPRURWSNFVNUOB-UHFFFAOYSA-N	413.359	4.601	50	20	HJGD	
CCCOc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cccc1OCC	787151246	LBCCOGRUTPQWNJ-SWEXZPIWSA-N	408.498	4.667	50	20	HJGD	
COCCc1ccc(Oc2ccc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)cc2)cc1	787333379	ZHRDOJXPTXUBTM-CAPFRKAQSA-N	414.461	4.919	50	20	HJGD	
O=S(=O)(CCCCCl)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1	788061978	HZPWJTRQBMEJBN-UHFFFAOYSA-N	414.660	4.695	50	20	HJGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)c1nnc(-c2ccccc2)o1	799477719	GPNGQIGJSUTLSZ-UHFFFAOYSA-N	401.470	4.692	50	20	HJGD	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C)CC(Cl)Cl)cc12	816629275	FSGFSOXKZAVJSJ-UHFFFAOYSA-N	402.734	4.925	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2cccc(Cl)n2)c1	817003589	HBFCZLUKNGDWRK-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Cl)ccc(Cl)c2Cl)cc1	817929585	QGGJIUPSJWZBEF-XFXZXTDPSA-N	422.699	4.894	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OCCC(F)(F)F)c(-c2ccc(Cl)cc2)n1	913973975	QSJAFZQSTOTCEQ-GXDHUFHOSA-N	422.794	4.520	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cc2ccsc2[nH]1	915598357	APJPKTQJBJJUTB-UHFFFAOYSA-N	418.853	4.533	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	915851914	OICMAUGJDHRRQW-WJDWOHSUSA-N	406.413	4.997	50	20	HJGD	
Cn1ncc2c1CCCC2=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	915938730	IEELAWJTCPRZQU-UHFFFAOYSA-N	424.957	4.836	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cnn(-c3ccc(Cl)cc3)c2)cc1Cl	915983575	NSYTYQPMXYUJBR-RIYZIHGNSA-N	413.264	4.733	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)c1cc(-c2ccccc2)[nH]n1	915995593	DJTWYCBWXNTZEV-UHFFFAOYSA-N	421.570	4.955	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2cc1NC(=O)C1CC1	917214121	JQWGQSRWZOCJRD-UHFFFAOYSA-N	424.844	4.507	50	20	HJGD	
N#C/C(=C/c1ccccc1-c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1	917516572	BBDJINQTVMIEDH-PYCFMQQDSA-N	409.489	4.736	50	20	HJGD	
CC(C)c1cccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1	917572856	VUOQALCQSUHOBQ-MRXNPFEDSA-N	407.539	4.748	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)c1C	917762362	SZFMXGUDJVAMGR-QNGOZBTKSA-N	420.557	4.979	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2ccco2)nc2ccccc12	918598496	XAVOJEGIHBRWHA-UHFFFAOYSA-N	408.801	4.813	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	918712677	MFYPRFJGUNNRPH-NTEUORMPSA-N	412.371	4.650	50	20	HJGD	
COc1ccc(CCC(=O)NNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	919832511	CDBOUBGSDSBSNF-UHFFFAOYSA-N	423.321	4.611	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCCO2)C(=O)c1c[nH]c2ccccc12	921259261	LEILJLFSRGLEHI-RIYZIHGNSA-N	423.266	4.882	50	20	HJGD	
CC(C)c1ccc(C2(C(=O)NNC(=O)c3c(Cl)cccc3Cl)CCC2)cc1	1318213930	QMNCXEPZBJWZGP-UHFFFAOYSA-N	405.325	5.000	50	20	HJGD	
C[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccccc1	1788587788	NKGMEQFHQNLUEK-FOIQADDNSA-N	402.897	4.849	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc[nH]c34)CCC2)cc1	1790486635	GLGSLHUWUDJXOP-LJQANCHMSA-N	409.917	4.933	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCc3cccs3)CCC2)cc1	1790487658	IVLFBJFOXOVISY-GOSISDBHSA-N	404.963	4.832	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)[nH]n1	1815317880	LBUCYIXWVODOIY-LNJMBMCMSA-N	414.937	4.523	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](Cl)CCC)[nH]n1	1819552951	KWYGIDMOZDMYLG-NVXWUHKLSA-N	408.974	4.802	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1	1824613688	RVOQIOGEZUMKIN-HKBOAZHASA-N	409.014	4.760	50	20	HJGD	
O=C([C@@H](F)Cl)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1	1828009637	CRMKRPJVJMIPPD-NHCUHLMSSA-N	416.924	4.608	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)CC1	1830005435	BIUFNLSVIFEXBL-RTWAWAEBSA-N	404.982	4.554	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1	1830307507	BWDXGTKBZKHFBE-MOPGFXCFSA-N	416.949	4.684	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cnn(Cc3ccccc3Cl)c2)cc1	17700345	UMMAOUPDFSYNRY-WOJGMQOQSA-N	406.873	4.529	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)cc1	21750002	KUSDSEGGDXWEJO-HMMYKYKNSA-N	412.445	4.876	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730596946	KIWJAGDILJIFQN-ZIAGYGMSSA-N	414.745	4.768	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CCc2cccc(F)c2)C2CC2)c1C	733765116	YJXQVTCVFWNIFF-GFHXCNCHSA-N	423.532	4.592	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cc(C(C)C)no2)c(C)n1-c1ccccc1F	733946688	OZSKWYGIXRSOBZ-ZDLGFXPLSA-N	406.461	4.568	50	20	HJGD	
O=C(NNc1ncccc1Cl)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	734246601	JFBDTHNBEOXTBV-KRWDZBQOSA-N	405.857	4.990	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cnn(-c4ccccn4)c3)c2C)cc1	739656314	XBCMAOOWFUMSRI-FYJGNVAPSA-N	422.492	4.529	50	20	HJGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	739667814	VGZLILPGPXBPJQ-IWQAVIMZSA-N	420.332	4.502	50	20	HJGD	
CCN(CC)[C@@H]1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	743085198	WEEDLZWJOVHXOM-IUODEOHRSA-N	409.905	4.854	50	20	HJGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743585934	QZEZVZSQTMKFGW-NRFANRHFSA-N	402.498	4.711	50	20	HJGD	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NNC(=O)c1cccc2ccccc12	743630493	UYLWCSHGGMOBHI-AWEZNQCLSA-N	415.415	4.906	50	20	HJGD	
COc1sc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Br	746523242	SDTGDAWHDSYYBT-SDQBBNPISA-N	418.721	4.511	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1CCC(F)(F)F	757655271	DASXEYVILQRPMN-UHFFFAOYSA-N	409.452	4.551	50	20	HJGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1	762408143	AUPRTZVNWRDVIZ-JTQLQIEISA-N	409.380	4.882	50	20	HJGD	
CCN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H](C)CS(C)(=O)=O	762966349	PCPAAGPCBRCUGQ-SNVBAGLBSA-N	410.430	4.631	50	20	HJGD	
COC(=O)c1coc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	766546357	AJIXIDTZPQQDET-UHFFFAOYSA-N	407.338	4.524	50	20	HJGD	
C[C@H](OC(=O)[C@@H](Br)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1Cl	766748873	BCKZGRUWQZUKFU-QPUJVOFHSA-N	411.123	4.673	50	20	HJGD	
O=C(NNc1c(F)cccc1F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773579337	XZCIOUWBZWHOOI-UHFFFAOYSA-N	417.306	4.704	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	774338540	SGGIMYCIUXJOPI-AWEZNQCLSA-N	420.222	4.580	50	20	HJGD	
COc1ccc(-c2ccncc2)cc1C=NNC(=O)CCSc1ccc(F)cc1	774341267	CIDRCBMCKNGEBO-UHFFFAOYSA-N	409.486	4.529	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)[C@@H](Sc1ccc(F)cc1)c1ccccc1	774780477	YPEWIMVUQNKIMV-NRFANRHFSA-N	404.470	4.746	50	20	HJGD	
O=C(NNc1ccccn1)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	779059886	DGKIJBYIMHESGV-UHFFFAOYSA-N	410.343	4.903	50	20	HJGD	
O=C(NNc1ncncc1Cl)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	782017817	AUVJOEYVEQXIMB-VIFPVBQESA-N	418.737	4.565	50	20	HJGD	
COC[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(C)o1	782981086	OMFANBRLTAEAEK-ZDUSSCGKSA-N	421.409	4.911	50	20	HJGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)NNc1ccccc1C(F)(F)F	784824160	FTUGXDRJTKMGED-UHFFFAOYSA-N	413.399	4.763	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1)c1ccsc1	789952044	RRRKYPJOQCBFQF-UHFFFAOYSA-N	405.401	4.776	50	20	HJGD	
CCc1cnc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)o1	793835245	VGXYBXIPVMMVFH-RQZCQDPDSA-N	408.889	4.521	50	20	HJGD	
C=CCCOCCCCC(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	802068386	CIQLIBWAOAATPZ-UHFFFAOYSA-N	408.713	4.563	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1ccc(-c2nc3ccccc3s2)s1	805466711	XFZGSHNPCXSHBX-UHFFFAOYSA-N	407.524	4.839	50	20	HJGD	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	809302532	BATITGYSNSDEEK-ASZBORBYSA-N	423.557	4.838	50	20	HJGD	
COc1ccc(C(=O)NN=C2CC[C@@H](Cc3ccccc3)C2)cc1Br	814846474	SGUGBDSJWINEBL-HNNXBMFYSA-N	401.304	4.586	50	20	HJGD	
O=C(NNc1cc([N+](=O)[O-])ccc1Br)c1cc(Cl)c(F)cc1Cl	816576498	XFMYOUJFTNUZTA-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1cc2ccccc2o1	916228205	XZILIBHBHDBDRC-NRFANRHFSA-N	419.868	4.820	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1	916605978	YQBYKIHIVHQODB-IOVUBPJKSA-N	416.477	4.776	50	20	HJGD	
COC(=O)c1sc2ncc(C(C)=NNC(=O)c3ccc4ccccc4c3)cc2c1C	917547370	RNAARNLMSDSWSJ-UHFFFAOYSA-N	417.490	4.699	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)N[C@H](c1ccccc1)C1CCCC1	918230827	SBBYFGWPQDDJIX-OAQYLSRUSA-N	415.534	4.570	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cs1	919846167	JJYYKRRZVIGGAL-CAOOACKPSA-N	410.930	4.736	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c(C)n1CC(C)C	920232941	RCVXSOYVGXDVFD-BBDZDIATSA-N	419.569	4.952	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccccc3)CCC2)cc1	1790488879	LXYHXOZIBNDOEN-HBMCJLEFSA-N	410.945	4.942	50	20	HJGD	
C[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)/C=C/C3CCCC3)cc2)CCC1	1790514219	BTPFCOZMJNHKOQ-CUXKMMBLSA-N	419.363	4.650	50	20	HJGD	
C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H](Cl)CCC)CCC2)cc1)C(F)(F)F	1791303222	MZUVOCYILIRBPF-HNNXBMFYSA-N	402.844	4.647	50	20	HJGD	
COc1ccc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)c(C)c1	1791607143	SHBYZRWYEDBXPZ-UHFFFAOYSA-N	421.324	4.555	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)CC1	1829964199	WOFMQTUVLXAOJI-TZIWHRDSSA-N	422.972	4.775	50	20	HJGD	
C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	57519596	QPAPAJSESBSMCV-UQGHUHRHSA-N	423.498	4.613	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CC2CC2)C2CCCCC2)c(C)n1C[C@@H]1CCCO1	727715093	JGCCURHEDIHUJW-YMSBRDKKSA-N	409.574	4.762	50	20	HJGD	
CCCn1nc(C(=O)NN=Cc2cccc(-c3ccccc3C)c2)c2ccccc2c1=O	729635743	KOPQJEFFLGBYCW-UHFFFAOYSA-N	424.504	4.546	50	20	HJGD	
CCSc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C2CCC2)cc1	731936231	MXADNRLPGJIXBT-UHFFFAOYSA-N	404.539	4.902	50	20	HJGD	
C[C@H](Oc1ccccc1Br)C(=O)NNc1ccnc2cc(Cl)ccc12	732828061	GNDLVXRWHYSAPA-NSHDSACASA-N	420.694	4.561	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c3ccncc3)c2C)cc1	743723603	WZPUEOARKRXDGM-LUJYGJGBSA-N	414.509	4.624	50	20	HJGD	
Cc1ccc2nc(COc3ccc(C(=O)NNc4ccccc4Cl)cc3)cn2c1	748315113	PNGQVSYYQKCIFF-UHFFFAOYSA-N	406.873	4.632	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cnc(Cc2ccc(F)cc2)s1	748737087	PXATYXGXSRUILM-UHFFFAOYSA-N	420.307	4.701	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(Cl)cc1Br	748740827	OCPSEJSVRYRYLV-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(F)(F)F	750896774	SVYHKMJWBFOYEP-YBEGLDIGSA-N	404.388	4.881	50	20	HJGD	
CC(=NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc([S@@](C)=O)cc1	750937211	HANGZFATFNPPSE-RUZDIDTESA-N	418.733	4.930	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1	754714240	VBQLTVPMPVICQA-RGEXLXHISA-N	400.482	4.940	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccc(C(F)(F)F)nn3)c(F)c2)cc1C	755198575	USSJSABUCGLFHY-UHFFFAOYSA-N	404.367	4.675	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	755446205	PAZNIALWCWBERD-UHFFFAOYSA-N	408.527	4.620	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1	755701880	YIKBCSIXYQXSAQ-PDGQHHTCSA-N	400.438	4.558	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(Br)c(Br)c3)nc12	757530717	XBHVIKKBDVEBLZ-WDZFZDKYSA-N	418.092	4.856	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	758316815	JJZYCXLTMFKXLE-UHFFFAOYSA-N	406.895	4.682	50	20	HJGD	
CC1(C)CC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	769003405	CQTXULXCKXAYHX-BONVTDFDSA-N	408.873	4.539	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1OC	772179020	MQDONGGVNSWSFH-OVCLIPMQSA-N	416.246	4.951	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1cccc2c1OCO2	773722477	DYHJWWXQXGXSKO-UHFFFAOYSA-N	410.320	4.650	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc(OCc2ccccn2)c(F)c1	775658110	VCROPEMRNSKYQB-UHFFFAOYSA-N	420.366	4.967	50	20	HJGD	
N#Cc1cccc(NNC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	775994064	FVNQWOSAHKPQLD-CQSZACIVSA-N	402.298	4.507	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1	787141756	POUBROXFTNMBRM-OBHPCNEJSA-N	414.259	4.532	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	787323200	ASUOQHFHIFPSSA-OBVMJLIASA-N	415.468	4.780	50	20	HJGD	
CCCOc1ccc([C@@H](C)NC(=O)NNc2ccc(Cl)c(OC)c2)cc1OC	788867387	VFSBXCLPDLGMGG-CYBMUJFWSA-N	407.898	4.533	50	20	HJGD	
C[C@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	788913362	OCCKJSWKTUOKPP-QWHCGFSZSA-N	422.485	4.743	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(\C#N)c1cnc2ccccc2n1	790227906	OBUWHEJZTQPVHA-LFIBNONCSA-N	424.298	4.872	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(CCC(F)(F)F)c1	792435262	PUGHEKIQLMYEEX-UHFFFAOYSA-N	420.218	4.570	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCO2)C(=O)c1ccc2ncccc2c1	794882371	GJWCBTSZWNNOLU-PXNMLYILSA-N	421.250	4.558	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c(C)n1C[C@H]1CCCO1	798008445	KBGXWLWXXFJBQA-FUXVNPFKSA-N	423.944	4.517	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2cccc(F)c2)no1)Nc1ccc(-c2ccccc2)cc1	802039173	ZSHRCZPCHCZWIG-UHFFFAOYSA-N	416.412	4.614	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)[C@H]2OCCc3sccc32)c(C)n1CC(C)C	816722595	BIPGUEJFPPFPNN-IAUZIZESSA-N	411.571	4.548	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2C)c1C	855634921	XWIPXLQXUYPKKB-IAFWPLRWSA-N	407.514	4.609	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)c1	857473769	CQCKTZOHPHBIKO-UHFFFAOYSA-N	417.387	4.936	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C(F)(F)c1cccc(Cl)c1Cl	857488412	GMZULMKUAWJSDB-UHFFFAOYSA-N	400.134	4.642	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2csc(-c3ccccc3)n2)c1C	901678860	QRZUSEGXRDKASD-NDENLUEZSA-N	404.539	4.862	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)CC(C)C)c(C)n1C[C@@H]1CCCO1	914516834	CSOFBTXBTRULOS-KXERKJKRSA-N	419.569	4.876	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(OCC)c(OC)c2)c1C	915181319	RQGMGHNNCCGNOE-KGENOOAVSA-N	409.530	4.536	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1	915921651	BOGIILUCLXUGIK-UHFFFAOYSA-N	423.520	4.718	50	20	HJGD	
Cc1c([C@H](C)NC(=O)NNC(=O)Cc2ccc3ccccc3c2)oc2ccccc12	918081839	HHQQAFDEWHAAQV-INIZCTEOSA-N	401.466	4.529	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1C	918183871	VRWHISBNRPMILK-ODLFYWEKSA-N	419.447	4.679	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)cc1	918648284	NZNWFWAHYNIJAG-PDGQHHTCSA-N	404.445	4.573	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1	920820916	ZMDGFXHDJQHBAA-CXDFQFJYSA-N	418.472	4.503	50	20	HJGD	
C=C(CBr)COC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2	1325026683	FHYWVCNXSQKTIH-UHFFFAOYSA-N	407.283	4.524	50	20	HJGD	
Cn1c(/C(C#N)=C/c2cccc(OCc3cccc(C(=O)O)c3)c2)nc2ccccc21	1326914308	DBALCQCGQFXCFO-UDWIEESQSA-N	409.445	4.915	50	20	HJGD	
Cc1cccc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)[C@@H](F)Cl)CCC4)cc3)cc12	1789271951	SDQOBQPGPYTGHI-LJQANCHMSA-N	413.880	4.758	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3sccc3OC)cc2)CCC1	1789929062	GRBXBYQYIIGVGO-INIZCTEOSA-N	420.962	4.912	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1	1790705399	VUQSGGNIJDSCKO-UHFFFAOYSA-N	423.944	4.765	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)CCC(C)C)cc2)CCC1	1791256997	KRJZDUIHDATMLM-QGZVFWFLSA-N	409.368	4.730	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C34CCC(CC3)CC4)CCC2)cc1)C(Cl)Cl	1791607478	WAJHZGPJSQRWER-UHFFFAOYSA-N	409.357	4.895	50	20	HJGD	
CC[C@H](C)[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H](F)Cl)C2)CC1)c1ccccc1	1810901324	HFBKEFCSILSEBM-YSIASYRMSA-N	422.972	4.582	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc3ccccc3s2)c(C)n1C[C@H]1CCCO1	6387946	UZEIIIJKNASPQJ-WAGPWIPHSA-N	421.522	4.544	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)c2)cc1	23723756	QABSSNFPFJZNHG-LELVYMQHSA-N	417.509	4.549	50	20	HJGD	
CCC(CC)c1nnc(NC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)s1	302890194	DHSUMISRYMHIPG-FNHQQPGVSA-N	415.563	4.613	50	20	HJGD	
CCC[C@@H](C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1	728215074	WLUAKDJHXSOUAI-JOCHJYFZSA-N	423.538	4.514	50	20	HJGD	
COc1ccc2[nH]cc(C=NNC(=O)c3cc(-c4ccncc4)nc4ccccc34)c2c1	730144828	ROGSOSJLLHPEEL-UHFFFAOYSA-N	421.460	4.551	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccccc1	731174062	DVJGPNARUIRBPJ-UHFFFAOYSA-N	407.322	4.947	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1)c1ccccc1	732237909	NYGMAZFSOXVSAN-MGPUTAFESA-N	422.554	4.704	50	20	HJGD	
Cc1cc(C)nc(Sc2ccc(NC(=O)c3c(C)nn(CCCl)c3C)cc2)n1	733876161	WQYNXMHEJGRAMS-UHFFFAOYSA-N	415.950	4.549	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC2(c3cccc(Cl)c3)CC2)c1C	740810631	RMZHHIDJRLLUCT-VXIUPONVSA-N	411.933	4.678	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1	741923293	UILWIFXWVMSHJV-XMMPIXPASA-N	400.522	4.573	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(CCC#N)Cc3cccnc3)c2C)cc1	741935733	CQJZCXAYFZOKFH-BUVRLJJBSA-N	423.520	4.647	50	20	HJGD	
O=C(Nc1ccc(N2CCSCC2)cc1)NN(Cc1ccccc1)c1ccccc1	743188060	GUSUETODFQXAQC-UHFFFAOYSA-N	418.566	4.983	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2ccc(Cl)nc2)cc1	743818780	MKCYJAUWJZZJQE-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)c1	743820057	MEXSITBREIBVOH-NRFANRHFSA-N	403.551	4.729	50	20	HJGD	
O=C(NCc1ccco1)NNC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	744478380	XDHVVBNOKPCGFV-UHFFFAOYSA-N	420.252	4.523	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(C)=O)c3)c2C)cc1	744845025	FRHUHRPLLDCMTN-BKUYFWCQSA-N	413.477	4.851	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	745844155	OGHPRRMZLPZCKA-LHBRDVBXSA-N	409.493	4.638	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(OC)c(O[C@H](C)CC)c1	749454012	XFICALKMHWJPEO-JVVDOCDTSA-N	424.497	4.784	50	20	HJGD	
O=C(NNC(=S)Nc1ccccc1-c1ccccc1)c1cc2ccccc2cc1O	750973257	IPATYOLDEQDEBK-UHFFFAOYSA-N	413.502	4.844	50	20	HJGD	
O=C(CSCC(=O)c1ccc(Cl)cc1)NNc1cc(C(F)(F)F)ccc1F	754143579	ONXIENJCMZBKCU-UHFFFAOYSA-N	420.815	4.557	50	20	HJGD	
CN(C)[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	760032880	HQMYKCJYTSRHJQ-DOMZBBRYSA-N	409.905	4.854	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(COc3cccc(Br)c3)o2)c1	760137822	XBPRBCIMCXKEFA-UHFFFAOYSA-N	419.250	4.826	50	20	HJGD	
COC(=O)CC1(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCOCC1	762979288	UUNZOFMSJVBRFM-UHFFFAOYSA-N	418.384	4.578	50	20	HJGD	
Cc1oc2ccccc2c1CNC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	767215123	VNOQANUKMCSJGQ-HNLWVNFGSA-N	417.509	4.562	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1	768248223	GFFGQQKLHRBPAI-QGOAFFKASA-N	407.474	4.569	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1OC	772174875	DXQGKOXVKBHOMP-KGVSQERTSA-N	408.198	4.534	50	20	HJGD	
CC(C)Cn1cc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	773404488	TXEFNKFSWHPKHZ-UHFFFAOYSA-N	412.384	4.774	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773584067	OPGZGQQFVLEEJC-UHFFFAOYSA-N	413.343	4.873	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC(c2cn[nH]c2)CC1	778052126	FXIZNRSDLPJMHH-UHFFFAOYSA-N	417.425	4.635	50	20	HJGD	
O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NNc1ncncc1Cl	781835548	CXSKHHCZLFGQCR-SFHVURJKSA-N	419.337	4.749	50	20	HJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	782522178	AFCMMCXSURGBIE-MMWCCMKASA-N	403.360	4.552	50	20	HJGD	
Cn1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)c(C2CCCCC2)n1	783800057	STCPIJUPIOXMDJ-UHFFFAOYSA-N	416.525	4.664	50	20	HJGD	
Cc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1C(=O)N1CCCCC1	786197628	MUCPVWHBOWRKMV-UHFFFAOYSA-N	420.435	4.789	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)C(=O)Nc1cc(-c2ccccc2)ccc1Cl	792350610	KQYAGRKBTOEIFQ-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
Cc1ccc(-c2ccc(C)c(NC(=O)NNC(=O)c3ccc4ccccc4n3)c2)o1	797655480	LDRVDBLZKOVTAC-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3cccc4cccnc34)cc2)c1	803178973	DLFBUWQRJPEPBP-UHFFFAOYSA-N	422.513	4.515	50	20	HJGD	
Cc1ccc(Cn2cc(C(=O)NNc3ncccc3F)c(-c3ccc(C)cc3)n2)cc1	804213448	BJGKIDSHAYCKCH-UHFFFAOYSA-N	415.472	4.506	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1cc(-c2ccc(F)cc2)nc2ccccc12	805467687	GPZFMIGJNQVJJX-UHFFFAOYSA-N	413.456	4.855	50	20	HJGD	
CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)CCCC[C@H]2CCSS2)CC1	811928356	HKCIBHVCHIDSEP-IWFBPKFRSA-N	408.677	4.836	50	20	HJGD	
CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	819557661	ZEYXJHMITNUYDM-OAHLLOKOSA-N	422.451	4.511	50	20	HJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1	899893099	MALXFMLQUBOVGN-UHFFFAOYSA-N	419.846	4.613	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C2CC2)[C@H](C)c2ccccc2)c(C)n1C[C@H]1CCCO1	914479725	CKZUHUYJMLDSMS-WIJHPOSRSA-N	417.553	4.943	50	20	HJGD	
CC(C)(C)n1cc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cn1	915942964	ORSJKWOKDPHMLJ-UHFFFAOYSA-N	415.472	4.756	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)[C@H](C#N)c2nc3ccccc3n2C)c(C)n1CCC(C)C	916844314	YZJGRGYEFCLQOF-OABJIQBASA-N	413.525	4.821	50	20	HJGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1sc(N2CCCC2)nc1Cl	920753503	BAMCXSYVFIRBCD-UHFFFAOYSA-N	412.946	4.748	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCCN1Cc1ccncc1	1116033130	RZWOHSBLUOGFPL-INIZCTEOSA-N	413.736	4.540	50	20	HJGD	
C[C@@H](CBr)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1	1786069982	HAIWRNIXAAIAPX-HOTGVXAUSA-N	419.363	4.508	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)CC1	1829964197	WOFMQTUVLXAOJI-FPOVZHCZSA-N	422.972	4.775	50	20	HJGD	
O=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccc(-c2ccc(F)cc2)s1	10735530	BIJBCGYPRBKIKQ-UHFFFAOYSA-N	408.376	4.648	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	21208896	UVAVSTIPQBSTJB-ZWKOTPCHSA-N	423.604	4.640	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cc2c3ccccc3n(C)c2s1	26959448	KNYHFIAPKKIVRT-UHFFFAOYSA-N	422.579	4.895	50	20	HJGD	
O=C(/C=C\c1cccc(OC2CCCC2)c1)NNC(=O)c1ccc(Cl)cc1Cl	727672925	RIDZJPUZHCATGF-FLIBITNWSA-N	419.308	4.789	50	20	HJGD	
O=C(NNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1c(Cl)cccc1Cl	727783674	BJCFSSLEOQNKOE-UHFFFAOYSA-N	424.231	4.523	50	20	HJGD	
CCC(=O)c1ccc(OCCCCC(=O)NNc2ccc(Br)cc2)cc1	727848723	UPOYDXAILBLECI-UHFFFAOYSA-N	419.319	4.734	50	20	HJGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	729623461	JRBGPFOOGKKLJN-LIRRHRJNSA-N	417.962	4.765	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(OC(F)F)c(Cl)c2)c1C	731489631	ILEIOCUKOYMQHG-NTUHNPAUSA-N	422.815	4.853	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CCCCCc2cccs2)cc1	731501391	SLGVLFXLAFZLMK-UHFFFAOYSA-N	405.589	4.656	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1)c1ccccc1	732001336	VXVJXBZQFSYGHN-OAQYLSRUSA-N	421.566	4.817	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc([S@](C)=O)c2)c(C)n1-c1ccccc1F	732122887	KQHSKEVIXMWMHK-ZDNHZHOCSA-N	421.497	4.516	50	20	HJGD	
Cc1ccc(-c2ncc(C=NNC(=O)COc3ccc4ccccc4c3)s2)cc1	734298563	GZUQUTCAAREMHZ-UHFFFAOYSA-N	401.491	4.801	50	20	HJGD	
Cc1cccc(COc2cccc(CC(=O)NNc3cc(F)c(F)cc3F)c2)c1	734554741	HIZMCZIQFJJUGL-UHFFFAOYSA-N	400.400	4.677	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	737768558	WRLPYMKJPLMPQX-SNVBAGLBSA-N	419.230	4.967	50	20	HJGD	
CC(=O)Nc1nc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cs1	741896473	IJEUYSXWYULWLG-GFCCVEGCSA-N	409.842	4.573	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)C1CCCCC1	743056258	SJOGXTPRFDEIEO-KEWOFRHOSA-N	402.922	4.596	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(F)(F)F	743289069	MYZUOJCDRXOCBT-LLVKDONJSA-N	421.806	4.515	50	20	HJGD	
Cc1cc(NNC(=O)c2c(F)cc(Br)cc2F)ccc1Br	755805179	VZAAIAJQLGVSPS-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NNc1ccc(Cl)c(F)c1	757142887	USSSMVJTHPDGJB-UHFFFAOYSA-N	412.774	4.953	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c(C)n1-c1ccc(C#N)cc1	761581056	NKZDAZOGVGUDEX-UHFFFAOYSA-N	414.387	4.621	50	20	HJGD	
CC(C)c1cccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)n1	762210710	QAVNRHCZADSDOZ-UHFFFAOYSA-N	402.214	4.743	50	20	HJGD	
CSCC[C@H](C)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762660497	WGSRQTUAIWZFHO-JTQLQIEISA-N	406.442	4.883	50	20	HJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)cc1	764330201	XWYPHFZFRVSYQU-AWEZNQCLSA-N	415.484	4.617	50	20	HJGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	766290205	ULGVWXMGTOOPDR-IFKSIJSSSA-N	404.595	4.506	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccc(F)c1F	766558834	HKBCTTBXIHNLLW-AWEZNQCLSA-N	410.424	4.729	50	20	HJGD	
COc1cc(OS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)ccc1C#N	767596602	JZXDFOMFVUZTEV-UHFFFAOYSA-N	415.361	4.992	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(N3CCCc4ccccc43)cc2)o1	770948279	MWSHAIFEXXSORY-UHFFFAOYSA-N	401.470	4.511	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc(O)n2)c(C)n1-c1cccc2ccccc12	777458409	MWRBJFCZBIQXEY-KGENOOAVSA-N	422.488	4.571	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CCCCC(=O)c1ccc(F)cc1	777785395	SZWIRTLYHIYIFX-UHFFFAOYSA-N	415.534	4.710	50	20	HJGD	
CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1C	777972941	IVHRCXVSWSWYPW-CHWSQXEVSA-N	422.485	4.837	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)c1C	780236168	KHUPRBCHOUCQKR-OQLLNIDSSA-N	423.847	4.552	50	20	HJGD	
C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NNc3ccc(Cl)cc3)c2)C1	783340424	UPHXLUKVROKMJM-MGPUTAFESA-N	415.921	4.517	50	20	HJGD	
O=C(C=C(C1CC1)C1CC1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783462485	CVZYGOSMHZRUPF-UHFFFAOYSA-N	417.421	4.895	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1	784878920	WSBFZCDUKGQMPJ-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
COc1cc(NNC(=O)CCCc2ccc(Br)s2)ccc1Cl	790188253	YRZNBOMFQZLCJT-UHFFFAOYSA-N	403.729	4.639	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)[C@H](CC)c1ccccc1	793483791	UBZUMKUPDZTOHP-OAHLLOKOSA-N	411.889	4.512	50	20	HJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1nc2ccc(OC)cc2cc1C	793780181	KTCMFECLMSSPQB-UHFFFAOYSA-N	402.454	4.526	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F	794089223	YCVAGUYTXKBEJW-GFCCVEGCSA-N	422.220	4.778	50	20	HJGD	
Cc1ccccc1Sc1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc1	803437065	GCULAINYARUNSI-UHFFFAOYSA-N	401.491	4.745	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ncc(Cc2ccccc2Cl)s1	806153941	BLQJDGOLYKTGOB-UHFFFAOYSA-N	414.922	4.593	50	20	HJGD	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNc5ccccc5[N+](=O)[O-])(C4)C2)C3)cc1	849510384	QREFBQMPCXTJJY-WADIDORASA-N	421.497	4.585	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1C	914501215	CWMZBBAEZXDBHW-BTMMFNIDSA-N	418.541	4.528	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)CC(C)C)c1C	914518389	ONKGTLWRHBJDTJ-AFEQLLIESA-N	407.558	4.904	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2CN(C)C(C)C)c1C	915629934	YOMLOXMYCRFPGE-OYKKKHCWSA-N	406.574	4.579	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OCCCc2ccccc2)c(-c2ccccc2)n1	916602025	OZMBMAHEKADSEW-OQKWZONESA-N	410.477	4.547	50	20	HJGD	
COc1ccc(-c2nnc(/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)o2)cc1OC	1118128953	LTTWUPCMWUPTOR-GRSHGNNSSA-N	406.486	4.892	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](Cl)CCC)n[nH]1	1815314182	GGXHTTGHMDAHME-SJLPKXTDSA-N	406.958	4.578	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](Cl)CCC)CC1	1824610726	RFNLFUOSHAIKAK-SFTDATJTSA-N	409.014	4.782	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	16019471	MBYQTWDOYMYVBH-KGENOOAVSA-N	412.493	4.907	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(-c2cccs2)n1	21286736	JAOUTDXCVJZHDZ-UHFFFAOYSA-N	414.390	4.556	50	20	HJGD	
N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	210006341	RTQXSTLFBRVWQG-VBKFSLOCSA-N	401.378	4.638	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)sc1-c1cccc(Cl)c1	726525398	WFKPMUYGJJNBRJ-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(-n3cccc3)c2)c(C)n1C[C@@H]1CCCO1	726934725	XQCMHEUDDMBNPG-ZBXXMNEPSA-N	414.509	4.620	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1c(Cl)cccc1Cl	727779124	OVBVKUPVSSEIQV-UHFFFAOYSA-N	404.209	4.926	50	20	HJGD	
O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C\c1cnn(CCCl)c1	728700001	KLYDBPOSJVUMFI-MHWRWJLKSA-N	408.914	4.505	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2cccc(OCc3ccccc3C#N)c2)c2ccccc2n1	731314348	CDPSBVDLFUIGSI-UHFFFAOYSA-N	420.472	4.758	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1	731931930	ULNZLCLNLIPYRT-XMMPIXPASA-N	423.520	4.637	50	20	HJGD	
COc1ccc2cc(/C=C/C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)ccc2c1	732976071	GOOYVUFTYVMTQL-QDEBKDIKSA-N	420.856	4.708	50	20	HJGD	
O=P(CCN(Cc1cccc(O)c1)CC1CC1)(c1ccccc1)c1ccccc1	733194820	PSZYRJPOPDSJJE-UHFFFAOYSA-N	405.478	4.618	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=Cc2ccccc2C(F)(F)F)cc1Cl	741770366	XKJQCXQGKFIXRC-UHFFFAOYSA-N	401.772	4.532	50	20	HJGD	
CC(C)(C(=O)NNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1	741924987	LOLWNFZJHRURGF-JOCHJYFZSA-N	400.522	4.528	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Br)cc1OC	742429008	CKWLOUDLNKKBHV-KPKJPENVSA-N	421.678	4.665	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2C)c1C	746343942	GDNYHWUMOZZYOD-YVLHZVERSA-N	405.420	4.624	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1cccc(C#N)c1)c(C)n2Cc1ccccc1	748048201	MDKYBPYPDMPPDT-UHFFFAOYSA-N	410.477	4.635	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1	748402309	LAVKWCLTAJMCMI-UHFFFAOYSA-N	422.373	4.937	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OC(F)F)cc2)ccc1NC(=O)OC(C)(C)C	748643850	CSEVBZQPGVNQLJ-UHFFFAOYSA-N	407.417	4.700	50	20	HJGD	
CC(C)Oc1cc(Br)ccc1C(=O)NNc1ccc(OC(F)F)cc1	748654372	LIRHPVQKXGVSGS-UHFFFAOYSA-N	415.234	4.595	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNc3cccc4cnccc34)cc12	748770181	XSHQIYWEKAGHGI-UHFFFAOYSA-N	417.469	4.840	50	20	HJGD	
O=C(NCc1ccc(COC2CCOCC2)cc1)NNc1cc(Cl)ccc1Cl	752686621	KGBFHEFRUAZDJZ-UHFFFAOYSA-N	424.328	4.515	50	20	HJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1nc(C(F)(F)F)cs1	755860549	ZVQSEXGCPCDEJN-UHFFFAOYSA-N	411.327	4.502	50	20	HJGD	
COc1ccccc1-c1cccc(NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1	756513059	AYPKMTPGTUVTRV-UHFFFAOYSA-N	419.525	4.731	50	20	HJGD	
CCc1nccn1CC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	756927564	ULSNEFDGFRZJOY-UHFFFAOYSA-N	400.404	4.532	50	20	HJGD	
C[C@H](Cc1cccc(O)c1)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762640964	LYENAGMRKJJUBC-LLVKDONJSA-N	424.391	4.736	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	769974970	CRZVQAIFCULPOJ-UHFFFAOYSA-N	408.849	4.559	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2ccc(C(F)(F)F)cn2)c1	775248016	PNZFEVXZJRDWQR-UHFFFAOYSA-N	401.388	4.923	50	20	HJGD	
COc1ccc(C)nc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777669639	IZMNKJWRWDVZRH-UHFFFAOYSA-N	404.382	4.857	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3sc(-c4ccc(F)cc4)nc3C)c(C)cc2c1	778482105	PMNGOWBEWOHXRC-UHFFFAOYSA-N	422.485	4.880	50	20	HJGD	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NNc1cccc([N+](=O)[O-])c1C	782755413	XBBLTMUOYCLKQO-UHFFFAOYSA-N	420.347	4.642	50	20	HJGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1	785161525	SMUBEJUFZNVOIX-UHFFFAOYSA-N	410.905	4.576	50	20	HJGD	
O=C(COC(=O)CCCC[C@@H]1CCSS1)Nc1cccc(C(F)(F)F)c1	786590855	XRVHPFQMOSUMHY-CQSZACIVSA-N	407.479	4.901	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(Cc3ccco3)c2C)cc1	787150895	HWHWWPLTHIYLHZ-VYVDHXHBSA-N	403.482	4.539	50	20	HJGD	
CC[C@H](NC(=O)NNc1ccc(Cl)c(OC)c1)c1nc(C(F)(F)F)cs1	789054045	NXCWPIPWHNCBBR-JTQLQIEISA-N	408.833	4.601	50	20	HJGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)Nc1ccc(-c2ccccc2)cc1	802037486	IUDFNVCRIAXSKY-WADIDORASA-N	407.489	4.815	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(F)c(Br)c(Cl)c1	804810540	VRHUZQOTIPPFBW-UHFFFAOYSA-N	409.086	4.546	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc(OC)c1OCC(F)F	809146141	MMFLAIJROPAOEP-WZUFQYTHSA-N	413.829	4.852	50	20	HJGD	
CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	810116930	FEMFRDIABLTAOQ-GFCCVEGCSA-N	410.474	4.743	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(Oc3cccnc3)cc2)c(C(F)(F)F)c1	816701690	GMBIAQHYZUWUAX-UHFFFAOYSA-N	403.360	4.658	50	20	HJGD	
N#Cc1ccc(CCC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	817016966	RVAGNEDNLPMCBZ-UHFFFAOYSA-N	401.310	4.672	50	20	HJGD	
O=C(NNc1ncncc1F)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1	817080587	VEWNNFRQQRYQEQ-UHFFFAOYSA-N	411.195	4.611	50	20	HJGD	
CCC[C@@H](C(=O)OCC)S(=O)(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	821197485	BNMIVPRRMPZNMM-LBPRGKRZSA-N	411.414	4.818	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)o2)c([N+](=O)[O-])c1	915843554	VGZBYGYNOLBMBA-PTNGSMBKSA-N	403.394	4.718	50	20	HJGD	
COCCCCNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	916060826	OQCORHVMNKHWRV-PDGQHHTCSA-N	419.447	4.563	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2-c2ccccc2)c1	917618818	FDMMKDDVOQBQKS-UNOMPAQXSA-N	414.461	4.925	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccnn2[C@@H](C)CC(C)C)c1C	917667512	AMUNRLVVIPGZKF-TVPJCHETSA-N	411.550	4.662	50	20	HJGD	
C[C@@H]1CCC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	918439583	SYORHASQQVTZPS-PSTGCABASA-N	422.900	4.882	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccnc1Nc1ccc(Cl)c(Cl)c1	919880805	RZXLUDSFOBUQJE-UHFFFAOYSA-N	418.240	4.797	50	20	HJGD	
CCc1nc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)cs1	920280603	VFRXQQVUUXJMPY-WOJGMQOQSA-N	422.529	4.818	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)CCCC[C@@H]1CCSS1	921045142	QNZQHZPNHCKCLX-HZPDHXFCSA-N	402.626	4.606	50	20	HJGD	
CCOC(=O)NNC(=O)c1oc2ccccc2c1CSc1ccccc1Cl	921164961	DBTRMCQXLITBOI-UHFFFAOYSA-N	404.875	4.769	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(-c3cccc4ncccc34)o2)c1C	1257876463	ISANLKFJSCPEEL-JJBLJPBOSA-N	413.481	4.975	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCCN2CCC[C@@H]2C1	1318879451	PMUFQNRVNCLSOW-DOMZBBRYSA-N	407.889	4.608	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)Nc1ccccc1COCc1ccccc1	1320409665	OWQAXEWSDNAODV-UHFFFAOYSA-N	409.873	4.523	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cc(C)c1OCc1ccccn1	1321634276	OENOQFVPXOTKRP-CPNJWEJPSA-N	407.477	4.867	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)CCC1	1789275343	IDIPPZQWKJBESG-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C34CCC(CC3)CC4)cc2)CCC1)C(Cl)Cl	1791980983	PLGDTLSEHJWIND-UHFFFAOYSA-N	409.357	4.895	50	20	HJGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl)c1cnoc1	1800011068	VDGYQBNLHKSBQH-ACDBMABISA-N	423.985	4.676	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=S)Nc1cc(Cl)cc(Cl)c1	11092380	FYQCGTLMTXHUMS-UHFFFAOYSA-N	404.322	4.707	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3F)c2)cc1	40007316	YIWBIUCKEHBODB-CPNJWEJPSA-N	402.425	4.959	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCOc2cccc3cccnc23)c1C	208914114	OJCNANZZUPMGQX-CJLVFECKSA-N	416.525	4.555	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(C(F)(F)F)cc2)c1C	302898570	SHXCXKSDYULNMP-HNIBHBHRSA-N	419.447	4.555	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](C)CSc2ccccc2OC)cc1	728893684	PNLUVXWTYIYQBI-AMRJIULGSA-N	410.539	4.545	50	20	HJGD	
Cc1csc(C(C)(C)NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)n1	734805566	QATLNPMXCOXADY-WQRHYEAKSA-N	422.529	4.957	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc3ccccc3n2C)c(C)n1CCC(C)C	736218222	JJIBMFHZDIZVLE-SBGXLDQMSA-N	417.557	4.822	50	20	HJGD	
CCCNC(=O)c1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	741170151	BAFZMQWKONHYRI-UHFFFAOYSA-N	400.693	4.544	50	20	HJGD	
COc1cc(OC)cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	742007129	XAWUSKDHLHRANC-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743619964	VYDWREYXLDWMNQ-TZIWHRDSSA-N	424.545	4.531	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4cc(F)c(F)c(F)c4)cc3)o2)c1	746703021	GOQHVHOQIIMXBN-UHFFFAOYSA-N	424.382	4.886	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)o1	748030440	DXSDZHPPOBHJSA-UHFFFAOYSA-N	414.469	4.518	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	750808115	MNGPUWNDIXCLPS-GXDHUFHOSA-N	409.804	4.870	50	20	HJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3ccc(C)c(C)c3)c2c1	752520117	OVCWKKMWJBUFQP-UHFFFAOYSA-N	418.566	4.977	50	20	HJGD	
N#Cc1ccc(OCc2ccc(C(=O)NNc3cc(Cl)ccc3Cl)o2)cc1	752812744	KLYGWQKMCDGTSD-UHFFFAOYSA-N	402.237	4.794	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cnc(Cc2ccc(F)cc2)s1	754144113	UGLANWMCQYPNAT-UHFFFAOYSA-N	413.371	4.788	50	20	HJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1	758018523	XRFJYNFFDNHICY-AUWJEWJLSA-N	419.783	4.759	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccc(F)c(Cl)c2Cl)c1	761807038	DYQMHGIWQOXLSZ-UHFFFAOYSA-N	420.065	4.668	50	20	HJGD	
O=C(O)c1cc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cs1	762456641	LGIQOHDXWSMRSG-UHFFFAOYSA-N	409.379	4.905	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C	772226702	SCGXNWDBAOPSAG-HOYKHHGWSA-N	421.972	4.958	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1	773596561	ALUVVDXHSZQHQZ-UHFFFAOYSA-N	414.764	4.897	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc(C(F)(F)F)cc1Cl	774811213	MCBULJUZQMZTHS-UHFFFAOYSA-N	406.791	4.516	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(COc2ccc(C#N)cc2)c1	777479791	PZDFXEVNECNGGQ-UHFFFAOYSA-N	408.461	4.751	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1C	778130279	PKOXYQIHUWFHQH-FIJXSUORSA-N	413.484	4.703	50	20	HJGD	
CC1(NC(=O)CCCC[C@@H]2CCSS2)CCN(C(=O)OC(C)(C)C)CC1	779098921	GKCMNKAXEHAXSH-OAHLLOKOSA-N	402.626	4.606	50	20	HJGD	
COc1cccc(NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1	780771814	BPONSEPTXDVTCY-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)c(C)n1CC(C)C	781060420	UWKITWUKDFYRDP-PBDXZUMESA-N	407.562	4.639	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(CC#N)CC2)c(C)n1-c1ccc(Cl)cc1	782055824	NOUYLJUFQCJBEU-XSFVSMFZSA-N	406.917	4.807	50	20	HJGD	
CO[C@@H](C)c1nc(COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cs1	782427821	RFBBJTGXLLYTDM-AEUYPJEVSA-N	415.559	4.965	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cnn(Cc3ccccc3)c2Cl)cc1	789126713	HHKAUWBNQQDSJK-ATVHPVEESA-N	406.873	4.529	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)ccc1OCC(F)(F)F	794883991	GAYSIVXOLHRERW-RQZCQDPDSA-N	412.367	4.974	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	798526490	FCIMMWCWXMSQNY-QAQDUYKDSA-N	420.340	4.593	50	20	HJGD	
O=C(Nc1ccc(Cl)cn1)C1CCN(Cc2ccc(OCCCCl)cc2)CC1	811456103	DIOFRWSGYCHKKQ-UHFFFAOYSA-N	422.356	4.593	50	20	HJGD	
COc1ccc(C(C)=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)cc1O	811634791	BMOQANBEWIRPTL-UHFFFAOYSA-N	415.902	4.519	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl	812769360	CUJAYBQCCZCNEA-ZDUSSCGKSA-N	408.329	4.687	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1	816016781	AKHIWEDZHKSIBV-UHFFFAOYSA-N	404.344	4.509	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1	817908857	RPWKDTPJLYKBNR-UHFFFAOYSA-N	409.873	4.748	50	20	HJGD	
CCC(CC)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	852997406	CGLCUGBSJNKQFB-HJHGFDQJSA-N	413.562	4.754	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccc(F)cc2)C(C)C)c(C)n1C[C@H]1CCCO1	914502840	SJPGEHNNEADJCN-RWTNITNYSA-N	423.532	4.767	50	20	HJGD	
N#C/C(C(=O)CSc1nccn1Cc1ccccc1)=C1/Nc2ccccc2S1	914526557	AUOHFMPYUPWHPO-CAPFRKAQSA-N	404.520	4.546	50	20	HJGD	
CCCC(=O)Nc1ccc(O)c(C(C)=NNC(=O)c2ccc(Cl)cc2Cl)c1	916360519	VGVSUHVNEGIBOZ-UHFFFAOYSA-N	408.285	4.592	50	20	HJGD	
CCCCN1C(=O)CC[C@H](C(=O)NNc2cc(C)ccc2C)[C@@H]1c1ccc(OC)cc1	917158405	DWRKWSRCXUAAGV-URXFXBBRSA-N	423.557	4.535	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccco2)CC(F)(F)F)c(C)n1CC(C)C	918555209	CXRMNDQAPZCHGD-GIJQJNRQSA-N	407.436	4.852	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCN(CC3CC3)CC2)c(C)n1C1CCCCC1	918637220	XFPHIJMAOYFBPP-JCMHNJIXSA-N	408.590	4.508	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2cccc(C(=O)O)c2)c1)C(=O)Nc1ccccc1F	1251693347	DBSQCUJWBHLCDO-ODLFYWEKSA-N	416.408	4.649	50	20	HJGD	
Cc1c(C(=O)NNC(=O)c2ccccc2Cl)sc2ccc(Br)cc12	1330267633	OXWAAQKQXFQKGR-UHFFFAOYSA-N	423.719	4.700	50	20	HJGD	
O=C(CSc1ccccc1)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1787774910	SZHPQAUNAXHYJY-UHFFFAOYSA-N	423.365	4.717	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccnc2ccccc12	1788888186	YGCAPZMFBNNNDE-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3)CCC2)cc1	1790485965	PKDNWUHRHQNGMP-LJQANCHMSA-N	402.897	4.520	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)cc3F)CCC2)cc1	1790489829	MGYFVPHZIPCCLH-OAHLLOKOSA-N	424.850	4.869	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4ccsc4[nH]3)cc2)CCC1	1790876639	AOPAVEDSXGINBS-INIZCTEOSA-N	415.946	4.995	50	20	HJGD	
Cc1ccc([C@@H](C)C(=O)N2CCC3(CCCN(C(=O)C(C)(C)CCl)C3)CC2)cc1	1805266477	GDERZCKMCPHACH-LJQANCHMSA-N	419.009	4.595	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)Cc3ccccc3)CC2)C1	1806164443	XXELNGLZVCXSBN-FPOVZHCZSA-N	419.009	4.504	50	20	HJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3cccc(Br)c3)c12	195593056	IJXBFGCXCGNPFP-UHFFFAOYSA-N	415.291	4.743	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c2ccccc2n1	729616406	VPQSNFVZFWSJEL-OAQYLSRUSA-N	422.916	4.682	50	20	HJGD	
Cc1cc(NNC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)nc(C)n1	736717197	ULEXZFUDBDJUFD-LJQANCHMSA-N	416.909	4.863	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(O)c3cc(Br)ccc3n2)cc1Cl	741468359	SBTKGMGTVUHETM-IZZDOVSWSA-N	416.662	4.824	50	20	HJGD	
CC1(C)C(=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)[C@@H]2CCCO[C@H]21	743424465	KVOSBZQIVXZJMY-PZJWPPBQSA-N	412.917	4.840	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)c1C	743786489	KUPAVXBDJSQRNP-LKZQPVPRSA-N	415.541	4.875	50	20	HJGD	
COc1cccc([C@@H](NC(=O)NNc2ccc(Cl)nc2)c2ccccc2Cl)c1	745846493	FMPVFFXWJVUYOT-LJQANCHMSA-N	417.296	4.813	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(-c2ccccc2)nn1-c1ccccc1	746704947	QLKAXVBYVCTOHJ-UHFFFAOYSA-N	408.383	4.714	50	20	HJGD	
COc1cc(C(=O)NNc2cccc(C#N)c2)ccc1OCc1ccccc1Cl	748032443	MGVPQBGMQKDVQU-UHFFFAOYSA-N	407.857	4.556	50	20	HJGD	
CN(c1ccccc1)c1ccc(C(=O)NNc2ccc(F)cc2Br)cn1	748077439	QNZBWYVDSCPUCA-UHFFFAOYSA-N	415.266	4.508	50	20	HJGD	
COC(=O)c1ccoc1CSc1ccccc1C(=O)NNc1ccc(F)cc1C	748563427	WANFHTHVKUMFFU-UHFFFAOYSA-N	414.458	4.563	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C(=O)NNc3cccc4c3CCCC4)c2Cl)cc1	748588727	QZVNRDNZONZXOQ-UHFFFAOYSA-N	408.933	4.837	50	20	HJGD	
Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(CCCCl)cc3)c2)oc1C	751272625	PDKJMYDZTSKHQI-UHFFFAOYSA-N	404.919	4.931	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cc1	752912357	KUOJVZPJSAYTEC-SFQUDFHCSA-N	406.873	4.779	50	20	HJGD	
Cc1ccc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)c(Br)c1	753690706	PLNTUGHNNNIUAJ-UHFFFAOYSA-N	414.328	4.953	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNc3nc(C(F)(F)F)cs3)c2)cc1	755858382	RPZRQHJQKUSDEN-UHFFFAOYSA-N	404.373	4.583	50	20	HJGD	
CC(C)Sc1c(Cl)cccc1NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	756733583	QYKRWTPLQVOSJB-UHFFFAOYSA-N	416.934	4.717	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2csc(Cl)c2Cl)c1	761808026	MOUORSCPJRDLNV-UHFFFAOYSA-N	408.104	4.590	50	20	HJGD	
C[C@]1(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCS1	762671450	GOPJGRXBJMVIIZ-CQSZACIVSA-N	404.426	4.684	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F	767713717	MAURTKCPZWTKGL-AUWJEWJLSA-N	412.364	4.601	50	20	HJGD	
COCc1ccc([C@H]2CCCN2CCP(=O)(c2ccccc2)c2ccccc2)o1	767935872	XZXFAVKISHYLDB-HSZRJFAPSA-N	409.466	4.577	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1cc(F)ccc1OC[C@@H]1CCCO1	770024911	IGSNDEBICGANDK-ZDUSSCGKSA-N	413.371	4.551	50	20	HJGD	
Cc1c(C(=O)NNc2c(F)cccc2Cl)cnn1-c1cccc(C(F)(F)F)c1	770198023	TZDJVSCAWPHQNE-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
CC(=O)c1cccc(OCc2cc(C(=O)NNc3ccc(Cl)cc3Cl)no2)c1	770807384	XUXYIYMZPBVCLT-UHFFFAOYSA-N	420.252	4.520	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cc2c(F)cc(Br)cc2[nH]1	771673211	YIGJNNHROLMZQA-UHFFFAOYSA-N	400.610	4.619	50	20	HJGD	
COc1c(Br)cccc1/C=C(\C#N)C(=O)c1ccccc1OC(F)F	773914173	DLOWLXOHYLPENI-FMIVXFBMSA-N	408.198	4.849	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)c2nc(O)c3cc(Br)ccc3n2)cc1F	780005045	RLUHRYNBEMRYJF-GHXNOFRVSA-N	414.234	4.700	50	20	HJGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1	782707229	MCDVCSPGRCMYIS-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
COc1ccc(OS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c(C=O)c1	782974319	OUJBVOGJDHMQIC-UHFFFAOYSA-N	418.361	4.933	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1-c1c(F)cccc1F	785180219	NUWSTHGKQZUNBU-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2csc(COc3ccc(Cl)cc3)n2)c1	786057010	WXGOOUWTOIHIND-YVLHZVERSA-N	423.925	4.907	50	20	HJGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1	787146369	XQIKAFZWZIZICJ-DGGAMASNSA-N	402.281	4.736	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	787490906	WZZOBPDTDFSLMR-HRQWZESXSA-N	400.400	4.770	50	20	HJGD	
Cc1cc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)sc1-c1ccc(F)cc1	788262990	SSEQQLIPEBUHGI-UHFFFAOYSA-N	412.490	4.713	50	20	HJGD	
COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)NCCSSC)C2)n1	790880415	ZQANTUJWSGASTL-CQSZACIVSA-N	423.629	4.719	50	20	HJGD	
Cc1cccnc1NNC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1	791026172	FNSVQPSWUCXSBO-GFCCVEGCSA-N	401.923	4.863	50	20	HJGD	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(/C#N)C(=O)NCC(C)C	797330388	HRRIRTSPGQLYJN-QPEQYQDCSA-N	410.827	4.532	50	20	HJGD	
COCCn1cc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	800559748	BEPYDIOIJBZBHT-UHFFFAOYSA-N	400.373	4.509	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1nccc2ccccc12	801503035	IIMIIURVQYVDAO-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
CCc1ccc(C(=O)Nc2sccc2C(=O)NNc2ccc([N+](=O)[O-])cc2C)cc1	805383122	OOYJYOPJYDXMHW-UHFFFAOYSA-N	424.482	4.536	50	20	HJGD	
Cc1noc([C@@H]2CCCN2C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	807766169	ABQYODUALKSRJK-YMFQVDJJSA-N	407.518	4.572	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)c(C)n1C1CCCCC1	813501584	DXZVZDDLCJIQGC-ITUZAUGWSA-N	407.558	4.877	50	20	HJGD	
CC(C)n1cnnc1CN(C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	814540266	RNLMYHCFKYYRNR-AWEZNQCLSA-N	421.876	4.742	50	20	HJGD	
COc1ccc(/C=C/C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1O	817015288	VRMIPBSOUMZURR-HWKANZROSA-N	420.309	4.595	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	864795852	CISIVTKJIAUQGP-UYRXBGFRSA-N	416.456	4.737	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1	914856713	CDWHZGGDCFDZAK-MRXNPFEDSA-N	420.340	4.606	50	20	HJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)N[C@H](c1ccccc1)c1ccccn1	915903961	IPAFPJQUIKTNJK-OAHLLOKOSA-N	422.703	4.853	50	20	HJGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1c(-c2ccccc2)n(C)c2ccccc12	916275762	QUFLZXNGSCWZMC-UHFFFAOYSA-N	421.504	4.654	50	20	HJGD	
N#CCCn1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c(-c2ccccc2)n1	916359849	CRSMKKIDHZFHGK-UHFFFAOYSA-N	412.280	4.534	50	20	HJGD	
O=C(CCCc1ccc(Cl)c(Cl)c1)NNC(=O)C12CC3CC(CC(C3)C1)C2	916728458	TWNNEIZXRXKOCT-UHFFFAOYSA-N	409.357	4.680	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	920035540	BSLACDIKQSWATB-SNVBAGLBSA-N	401.772	4.904	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	920065255	UPSQKQPJTIVIED-QGOAFFKASA-N	406.482	4.920	50	20	HJGD	
O=C(NN=Cc1cc(Br)cc(C(F)(F)F)c1)c1ccccc1Cl	1116388391	KCNNNBPQZLQQSZ-UHFFFAOYSA-N	405.601	4.885	50	20	HJGD	
N#C/C(=C/c1ccc2c(c1)CCN2Cc1ccccc1)c1nc(N)c2ccccc2n1	1325842316	ZZCZIZUJKAZEJE-QNGOZBTKSA-N	403.489	4.839	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C)cc2)CCC1	1787367340	RJRBLEUDBXMSPV-KRWDZBQOSA-N	419.319	4.509	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cccc2nscc12	1788588671	GBFWYSNCZJCCSA-KRWDZBQOSA-N	417.893	4.578	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1	1790705059	DZHBWYLTFZBXBO-OAQYLSRUSA-N	423.944	4.908	50	20	HJGD	
CC(C)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1	1799621428	SQWCQUBROAPQQH-BTTYYORXSA-N	417.764	4.510	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC)cc2)n[nH]1	1820605003	CUYZIWAIPFIAMP-MJGOQNOKSA-N	416.953	4.686	50	20	HJGD	
Cc1c(F)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824009917	BEZLCGUJQWZDNA-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1cccs1	20922121	SIIBUUJDZLECMV-SFQUDFHCSA-N	418.474	4.830	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	63412646	NPLFPIRUDQNEQH-RIYZIHGNSA-N	400.385	4.770	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OCCCC#N)c2)c1C	108298333	VAXWHGCFQSPJKP-LZAZYHHXSA-N	420.513	4.541	50	20	HJGD	
Cc1cccc(NNC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)c1	195630908	BHCMHTQDKNFCRG-UHFFFAOYSA-N	403.313	4.790	50	20	HJGD	
O=S(=O)(NCc1nc2cc(Cl)ccc2s1)c1ccc(CCCCl)cc1	726974555	ZMFUWSLVYGNAGI-UHFFFAOYSA-N	415.367	4.600	50	20	HJGD	
CC[C@@H](C(=O)NNC(=S)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1	727172476	GDZQUVGYOVVJOY-IUODEOHRSA-N	410.370	4.744	50	20	HJGD	
CC[C@H](C)CN(C)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	731998708	ZUUYSUJVUMBSBU-IQFISFIMSA-N	409.921	4.529	50	20	HJGD	
CC[C@H](CC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1	734257986	AJQLNTQQPDFUMQ-CQSZACIVSA-N	415.419	4.584	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C[S@](C)=O)c2C)c1C	735022802	UQUGAESWNRNOJE-MIQMEJSGSA-N	411.571	4.638	50	20	HJGD	
O=C(NN=Cc1ccc2ccccc2n1)c1cc(-c2ccncc2)nc2ccccc12	741451933	QTVPAJFLOSSIAE-UHFFFAOYSA-N	403.445	4.609	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)cc(Br)c2)cc1C(F)(F)F	747590183	CONCZSYOHBFQGW-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NNc2ccc(C#N)cc2)cc1	748104847	ICOHACACGRWEGQ-UHFFFAOYSA-N	404.495	4.752	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)c1	748401272	PWZHETUGKJIWHP-UHFFFAOYSA-N	420.538	4.648	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c1C	749426912	XTBNDJUBGRAQKR-XSFVSMFZSA-N	407.514	4.526	50	20	HJGD	
CCCN(CC)Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	750866386	YPLFJUWBNULGKZ-UHFFFAOYSA-N	424.423	4.602	50	20	HJGD	
Cc1csc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c1Br	754283006	SUOPKLXKYTUVRF-UHFFFAOYSA-N	409.227	4.517	50	20	HJGD	
COc1cc(C(=O)NNc2cccnc2Cl)ccc1OCc1ccc(Cl)cc1	754477811	LDNMKRBBTONBEI-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
O=C(NN=Cc1coc(-c2ccccc2)n1)c1cc(-c2ccncc2)nc2ccccc12	755491821	QQTWCRLWQCSMTO-UHFFFAOYSA-N	419.444	4.716	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1Cl	755946326	ZRBYHQUGKCPCPS-LJQANCHMSA-N	410.905	4.728	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1	766036000	YLAIBZIWZROWNS-IRXDYDNUSA-N	417.543	4.902	50	20	HJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2ncnc3ccsc23)cs1	766680170	FRVMGVSAQUSSDG-UHFFFAOYSA-N	413.553	4.505	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)c1	767271041	PSZKDFDGYNCBPP-QPEQYQDCSA-N	402.328	4.506	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NNc1c(Cl)cc(F)cc1Cl	768008232	YREIWHWTMVZHTL-UHFFFAOYSA-N	407.276	4.751	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc(Cl)cc2Cl)n1	768248629	TZQYVFQNZHWCHK-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1csc(-c2ncccc2F)n1	768548987	GGAIGXCNLSZKRT-UHFFFAOYSA-N	401.225	4.547	50	20	HJGD	
C[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)NNc3cnccn3)c2C1	775278929	OIARAOCHOQYGPM-BYFYWULKSA-N	421.504	4.905	50	20	HJGD	
Cc1cccc([C@H](O)CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	778000754	LMUBMYOQNIFBDE-OAHLLOKOSA-N	417.421	4.664	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1cc(-c2nc3ccccc3s2)nc2ccccc12	781363923	SLNJPPJCTAEUHZ-UHFFFAOYSA-N	415.453	4.803	50	20	HJGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)c1ccc(Br)cc1Cl	782226329	ZFLSDWRNMDJKNN-UHFFFAOYSA-N	408.658	4.795	50	20	HJGD	
Cc1ccccc1NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	782790075	NDAIQBSPUZNMAT-INIZCTEOSA-N	402.825	4.792	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(C#N)n1C	782829075	MZWPYQLGJBJGOM-FQIOEHTJSA-N	419.488	4.528	50	20	HJGD	
N#C/C(=C/c1cc(Cl)cc2c1OCC2)C(=O)Nc1ccccc1Br	782888701	ZAGQOZCUXOQHAW-QPEQYQDCSA-N	403.663	4.583	50	20	HJGD	
C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978754	DKABOHZNEQEAKY-NSHDSACASA-N	402.410	4.911	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC([C@H]3CCCO3)CC2)c(C)n1C1CCCCC1	784644012	SYRGHWJWGGCLHY-GOOXQAOHSA-N	409.574	4.935	50	20	HJGD	
CC(C)n1c([C@@H]2CCCN2C(=O)/C(C#N)=C/c2ccc(O)cc2)nc2ccccc21	787403865	SNBDFWKDMKWLMI-RRXSNJIPSA-N	400.482	4.593	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1nnc(-c2ccc(Cl)cc2F)s1	791904007	UIXWQNYKYRALCE-UHFFFAOYSA-N	414.853	4.694	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	792297031	MVUKVRNUWJZLEL-UHFFFAOYSA-N	407.861	4.643	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCC(F)(F)C3)cc2)cc1	794918947	XEUZYWMXMYTTLE-MRXNPFEDSA-N	422.497	4.521	50	20	HJGD	
Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)NNc3ccc(C(F)(F)F)cc3)c2)o1	797021396	SRCFMSUFQLGZHA-UHFFFAOYSA-N	417.387	4.664	50	20	HJGD	
CC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	797645370	OAOIYZYRBDSRGA-LBPRGKRZSA-N	401.401	4.724	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c(C)n1C1CCCCC1	807677973	TYXOOVIVAAACRE-HVQRGMKJSA-N	405.546	4.994	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)ccc1Cl	808870180	SNTRBECBYULUSE-JTQLQIEISA-N	403.788	4.827	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1C(C)(C)C	817016174	JMKGYSBSIWTQAR-UHFFFAOYSA-N	408.346	4.741	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1ccccc1CSc1nc2ccccc2[nH]1	876981848	YAZPMQHSYWWTBP-UHFFFAOYSA-N	410.449	4.890	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=S)Nc3cccc(C(F)(F)F)c3)cc2C1	916127200	FXDWFCFRMANAED-SNVBAGLBSA-N	413.490	4.523	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)cc(Br)c1O	916132017	SCSLSXBVMRWNTO-RIYZIHGNSA-N	412.243	4.668	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)[C@H](C#N)c3nc(C)cs3)c2C)cc1	916843965	OLZSHBISAZVAJG-LYFUXTGPSA-N	400.507	4.951	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc(C(=O)O)c3)c2)c1	1116005125	PVUCAIUVHNBNOX-CIAFOILYSA-N	412.445	4.818	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C(=O)OC)c2ccccc2Cl)c1C	1317755775	DCGXLVMYSWEVFT-MJLBXUHQSA-N	414.889	4.533	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2nc(-c3ccccc3)oc2C(C)C)c1	1349006721	PVJFWKKLCRRPMM-UHFFFAOYSA-N	412.490	4.544	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccccc3O)cc2)CCC1	1787194001	RCVBHKGHWHYMCY-GOSISDBHSA-N	400.906	4.547	50	20	HJGD	
COc1ccc(C)c(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)c1	1791606869	INLKUYRTPSNMAW-UHFFFAOYSA-N	421.324	4.555	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)[nH]n1	1815322065	KQFNYWYDEMHWQC-FUHWJXTLSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccsc2)n[nH]1	1817519063	OWLUSORGSJQXTF-RDJZCZTQSA-N	422.982	4.504	50	20	HJGD	
CCN(C(C)=O)c1nc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)cs1	25890225	XBPZJYXSJBDHCQ-ONNFQVAWSA-N	400.813	4.647	50	20	HJGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	97990705	OSHWPFQZYKREBE-SDQBBNPISA-N	417.657	4.893	50	20	HJGD	
C[C@@]12CC3CC(C(=O)NNC(=O)NCc4cccc(C(F)(F)F)c4)(C1)C[C@](C)(C3)C2	195718473	LMFKMCJMVULVNL-LVBDODCMSA-N	423.479	4.532	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccn2)c(C)n1-c1cccc2ccccc12	301195899	ISUIFNDVAOSUAV-JCMHNJIXSA-N	406.489	4.866	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCCc3c(C)ccc(OC)c32)c1C	727667366	STAGTCRVJLYKFH-KOMLCTQHSA-N	421.541	4.516	50	20	HJGD	
Cc1cccc(COc2ccc([C@H](C)NC(=O)NNC(=O)c3ccccc3C)cc2)c1	727840876	CNVMKZJUKOLIHW-IBGZPJMESA-N	417.509	4.588	50	20	HJGD	
Cc1ccccc1CC(C)(C)NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	728184404	ZZVXIZQFUJWTJD-PQBKBUHISA-N	419.569	4.637	50	20	HJGD	
CC(CSC(C)(C)C)=NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	729635910	RSJWNUPPLIGWPO-UHFFFAOYSA-N	407.543	4.572	50	20	HJGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNc1ccc(Br)nc1	732838654	WESCSUWXQDGQLN-UHFFFAOYSA-N	424.298	4.617	50	20	HJGD	
Cc1cc(NNC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc(C)n1	736712017	YPFNGIOPOFQKER-NRFANRHFSA-N	412.946	4.713	50	20	HJGD	
O=C(CCCCc1ccc(Br)cc1)NNc1cccc(C(F)(F)F)n1	740139994	FDRPULPEGAMZLG-UHFFFAOYSA-N	416.241	4.719	50	20	HJGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Sc1ccccc1	741882486	CCYZDINLQUVBIA-UHFFFAOYSA-N	406.551	4.815	50	20	HJGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743558824	XLELMUBXCBEOEL-SFHVURJKSA-N	402.498	4.629	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)NC(=O)NNc1c(Cl)cc(Br)cc1Cl	745819533	AGKWPTSYYOVJNB-ZCFIWIBFSA-N	422.110	4.748	50	20	HJGD	
CCOCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC	747613301	WMMKISJNIHLMLR-OQLLNIDSSA-N	404.388	4.796	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1	752031924	NAFHKRFTYVFFFZ-PDGQHHTCSA-N	412.424	4.598	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cc(Cl)ccc1SC1CCCC1	755613465	PTJFHAGZDLXQQW-UHFFFAOYSA-N	416.856	4.940	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)Nc1ccccc1CCC(F)(F)F	757659345	YNRNBZSRAGTRIC-UHFFFAOYSA-N	415.415	4.730	50	20	HJGD	
CC(C)c1ncc(/C=C(\C#N)c2nc(O)c3cc(Br)ccc3n2)s1	758419024	UHBCLBHDWAXQSC-BJMVGYQFSA-N	401.289	4.742	50	20	HJGD	
O=C(NN[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1cccc2ccccc12	762640756	JNICJPLDPRUUCR-QHCPKHFHSA-N	420.472	4.914	50	20	HJGD	
COC[C@@H]1CCCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	767300686	MPQPBADKWZWFMK-GFCCVEGCSA-N	409.442	4.781	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1cccc(Oc2ccncc2)c1	770026347	BOZMYXMCIWBVER-UHFFFAOYSA-N	404.348	4.921	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	772841361	PLZZUYBAMYCGDO-UHFFFAOYSA-N	418.284	4.851	50	20	HJGD	
COc1cc(/C=C(\C(=O)NNc2cc(F)c(F)cc2F)c2ccccc2)ccc1O	773469735	RRSHKXNRPTWGBL-DHDCSXOGSA-N	414.383	4.502	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(CSC2CCOCC2)c1	775623196	GXTJVJVNYSXOBX-UHFFFAOYSA-N	408.527	4.796	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3oc4ccccc4c3COC(C)C)c(C)cc2c1	778479020	OYVULWFZOHCGDF-UHFFFAOYSA-N	419.481	4.980	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c[nH]nc1-c1ccc(Cl)s1	779011986	PMDOAIPUQWYXKC-UHFFFAOYSA-N	411.712	4.619	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2OC(C)C)c1C	779458514	IPGKLHVSGQGNRU-DZGUVLCISA-N	413.493	4.784	50	20	HJGD	
C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	782009826	QXXWMWCRUAWPAV-NUSFMGPTSA-N	424.482	4.878	50	20	HJGD	
C[C@H]1CCCN([C@@H](C)CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782983164	KXKKDDBNLZKWDJ-STQMWFEESA-N	422.485	4.743	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)cc1	787154021	IIUQKJOOXNCGGG-RQNDZEIBSA-N	407.470	4.742	50	20	HJGD	
O=C(Cc1csc2ccc(Br)cc12)NNc1nccc2sccc12	792639071	NBUIKVMSQBLABW-UHFFFAOYSA-N	418.341	4.959	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1c(F)cccc1F	804209213	QFBISZPPEVLNAI-NSHDSACASA-N	422.357	4.687	50	20	HJGD	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	804559920	MASKKMXTJROXFM-KSEXSDGBSA-N	407.562	4.804	50	20	HJGD	
N#C/C(=C/c1csc2ccccc12)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	810208787	GBTOBFQWVKKDEE-QPEQYQDCSA-N	419.487	4.982	50	20	HJGD	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NNc1cccc(Cl)n1	814600400	INFJUTFQNLPRHM-UHFFFAOYSA-N	410.865	4.836	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(O)c2ccccc12	817016475	WWRLCFOBDYVJRY-UHFFFAOYSA-N	415.293	4.735	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2c(-c3ccccc3)nc3sccn23)c2ccccc2n1	917032899	WLSOSPXTYINMCF-UHFFFAOYSA-N	411.490	4.683	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N(C)[C@H](C)c2ccccc2)c1C	917233437	UZQAOACVFWWKMM-SYVPYPDPSA-N	421.541	4.575	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)c1C	917760897	LYYMKFHQENGKJZ-OJIOPUPCSA-N	420.557	4.674	50	20	HJGD	
Cc1ccn2cc(CNC(=O)/C(C#N)=C/c3cc(C)n(C4CCCCC4)c3C)nc2c1	918706296	SEFFNMGSKCAYOT-FYJGNVAPSA-N	415.541	4.790	50	20	HJGD	
O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NNc1cncc(Br)c1	1261786580	LBAJQYROSLDGRL-RJRFIUFISA-N	420.616	4.673	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)NNc3ccc(F)c(F)c3F)ccc2OC)cc1	1319962863	NAZJKLGKTFPWHO-UHFFFAOYSA-N	417.387	4.937	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CC)N(CC)CC)CCC2)cc1	1786442285	FIXUTQPIHIXLGY-VQTJNVASSA-N	422.013	4.648	50	20	HJGD	
Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)cc1	1791342126	DLOAYFKAAAHWMW-HXUWFJFHSA-N	402.897	4.596	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1	1829976579	ZXAYLTULKDWEIR-MOPGFXCFSA-N	411.373	4.591	50	20	HJGD	
COC(=O)COc1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1C	63866903	ALGYNYPUZDTNHO-MOSHPQCFSA-N	414.461	4.554	50	20	HJGD	
CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1	219862687	FFSNVKFKRZATDR-UZYVYHOESA-N	419.525	4.638	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1OC	301217625	FMDQBWVMRLPUQG-UHFFFAOYSA-N	402.800	4.913	50	20	HJGD	
O=C(NCc1ccc(Br)cc1Cl)NNc1ccc(OC(F)F)cc1	726709900	STEZXEIUBDULBI-UHFFFAOYSA-N	420.641	4.530	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	727263499	BDBYQJNGHNBBGX-VGOFMYFVSA-N	420.271	4.515	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(SC(=O)N(C)C)c2)c1C	729242764	BYHJDFAFLPNILI-LDADJPATSA-N	410.543	4.834	50	20	HJGD	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)NNC(=O)c1ccc(Cl)cc1Cl	729838279	SYKYEGBLQQEJLV-ZWXCPPHNSA-N	407.297	4.645	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCO2)c1nc2cc(F)ccc2s1	730260223	MOCINZXHEUMODJ-KMKOMSMNSA-N	403.232	4.991	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)/C(=C\c1ccccc1OC)c1ccccc1)c1ccccc1	732000542	JVAFRLMWCVHRAD-HBBKMXGMSA-N	414.505	4.577	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](C)C#N)c(C)n1-c1cccc(Cl)c1Cl	732111338	JHSAERRRTSFZCW-GGNJANJASA-N	401.297	4.584	50	20	HJGD	
O=C(NNc1ccccc1)c1cc(-c2ccncc2)nc2ccc(Br)cc12	732265685	WQZLWXZVRARVJA-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCCO[C@H]2CCCc3ccccc32)cc1	733779072	FLKKGDCHTXVYAB-DEZPSGRBSA-N	404.510	4.593	50	20	HJGD	
N#Cc1ccccc1COc1ccc(C(=O)NNc2nccc3sccc23)cc1	734249705	IOBXZJMGEFPOHP-UHFFFAOYSA-N	400.463	4.504	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4c(c3)NC(=O)CC4)c2C)c1	741723022	ZDZGGYABSWCUHD-BKUYFWCQSA-N	424.504	4.833	50	20	HJGD	
Cn1ccc2ccc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cc21	744471863	VZBDARHEKZMCHB-XSFVSMFZSA-N	420.476	4.501	50	20	HJGD	
CN(CC1CCCC1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	746526821	POZLHBBOVBCEBV-CPNJWEJPSA-N	421.932	4.673	50	20	HJGD	
Cc1ccc(OCc2nc(CC(=O)NNc3ccc(Cl)c(F)c3)cs2)cc1	746696054	XIYPGOFLZSXDIM-UHFFFAOYSA-N	405.882	4.509	50	20	HJGD	
CCN(Cc1ccc(C(=O)NNc2ccc(Br)cc2F)cc1)C(C)C	748190952	HEKRKYFFFLLANL-UHFFFAOYSA-N	408.315	4.575	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(F)c(COCCOC)c1	748667145	IHGLXYZMCVFDHA-UHFFFAOYSA-N	416.518	4.939	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1	748670343	RXYFBMJBBURBCL-KRWDZBQOSA-N	401.576	4.608	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc1	748719849	BXUQCHZDBTYYKV-UKTHLTGXSA-N	401.344	4.791	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Oc2ccccc2)o1	748841610	UQZNCEUBLQHMAV-UHFFFAOYSA-N	407.304	4.756	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NNC(=O)c1cc2ccccc2o1	749562209	HSGXSMNLILTEPT-CQSZACIVSA-N	420.494	4.570	50	20	HJGD	
C=CCCC(CC)=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1	750916540	LHQXOCOUSRBWAR-UHFFFAOYSA-N	413.543	4.566	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1	751790452	NKDSXKJVOVOUPX-UHFFFAOYSA-N	421.566	4.949	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1cc(C(F)(F)F)ccc1F)c1cccs1	754154171	RUGXXLBEUUCQKF-UHFFFAOYSA-N	423.391	4.915	50	20	HJGD	
Cc1ccc(-n2cnc3c2CCN(C(=O)CCCC[C@H]2CCSS2)C3)cc1	754416026	IVGSWMHREBOZOA-SFHVURJKSA-N	401.601	4.780	50	20	HJGD	
CSc1cc(Br)ccc1C=NNC(=O)c1cccc(OC(F)F)c1	755890195	QMBOIEHBKWSADK-UHFFFAOYSA-N	415.259	4.536	50	20	HJGD	
Cc1cccc(C(=O)NNc2ccc(Br)cc2Cl)c1Br	757140338	CCPBTTDRENCFFO-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cn(-c3ccccc3)nc2C(C)(C)C)n1	758418769	RBAVVFCHLCMBSO-RVDMUPIBSA-N	406.511	4.867	50	20	HJGD	
CN1CCC[C@@H]2CN(C(=O)Nc3ccccc3S[C@@H](Cl)C(F)(F)F)CC[C@H]21	765871578	NIMSRZWPYRRXIL-XNRPHZJLSA-N	421.916	4.854	50	20	HJGD	
Cc1ccnc(NNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])c1	768721881	QFQFXXZPKQCDCO-UHFFFAOYSA-N	414.874	4.860	50	20	HJGD	
Cc1cc(-c2cc(C(=O)OC[C@@H](C)CBr)c3c(C)noc3n2)c(C)o1	770336506	LZPOOOZILGMXOE-VIFPVBQESA-N	407.264	4.596	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1ccc(-c2ccc(F)cc2)cc1F	771553814	PPIKWTJJSPNSQC-UHFFFAOYSA-N	404.214	4.546	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)C1(c2cccc(C(F)(F)F)c2)CC1	771679022	OFKPYIMCPLPUDS-UHFFFAOYSA-N	417.200	4.782	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccccc1SCc1cn2ccccc2n1	771698626	NMZVFMGRGFIIDH-UHFFFAOYSA-N	406.486	4.831	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)c3cc(SC)ncn3)c2)cc1	773174898	APPYRGUXONTFFE-YVLHZVERSA-N	402.479	4.524	50	20	HJGD	
COc1cc(/C(C#N)=C\c2ccc3ccc(Br)cc3n2)ccc1[N+](=O)[O-]	774563255	YJMBUPNCYNHWCP-ZSOIEALJSA-N	410.227	4.978	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cccc(NC(=O)c2cccs2)c1	775472687	DMPYFOLIFZMGME-UHFFFAOYSA-N	421.404	4.563	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1cccc(OCc2cscn2)c1	775584956	DDBBHDAOOJBEBT-UHFFFAOYSA-N	408.405	4.890	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCC23CCN(C)CC3)c(C)n1C1CCCCC1	776491728	NSDQHEIOLAKXHY-XLNRJJMWSA-N	408.590	4.604	50	20	HJGD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)NNc3ccc4ccccc4n3)c12	777463382	CQKDILFFWWWAQI-UHFFFAOYSA-N	413.437	4.740	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1Cl	782108731	VFTWUPPJIUGVLS-FMIVXFBMSA-N	404.779	4.791	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)c1ccccc1	782229194	LPOPJZIWAFNNPB-SFHVURJKSA-N	400.404	4.739	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H](c2ncc[nH]2)C1	782985532	OZQKYYOSVJBMCE-LLVKDONJSA-N	417.425	4.635	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)cc(F)c1Br	786426495	KBJGSIAYSIGVQD-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccc(Cl)c(OC)c2)cc1OCC	790170805	CDUQZEMLBXUQTA-UHFFFAOYSA-N	413.301	4.946	50	20	HJGD	
Cc1cc([C@@H]2CCCN2C(=O)/C(C#N)=C\c2ccc(O)cc2)ccc1Br	797768439	OSRUAFIHNYAQSO-PGNDWZGLSA-N	411.299	4.734	50	20	HJGD	
O=S(=O)(NC[C@H]1COc2ccccc21)c1cccc(S(F)(F)(F)(F)F)c1	808349432	SRBLDVBQWMSWJF-NSHDSACASA-N	415.405	4.799	50	20	HJGD	
CC(C)c1ccc(C2(O)CCC(=NNC(=O)CSc3ccccc3O)CC2)cc1	814968489	GANVAJUHRYQSSM-UHFFFAOYSA-N	412.555	4.542	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)co2)c1C	816509311	MBWLEONSDHCGKN-YODDIOPGSA-N	404.470	4.513	50	20	HJGD	
Cc1cc(C)c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C=O	817015702	NOQVFPATWZBZRH-UHFFFAOYSA-N	404.310	4.910	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1cc(C)ccc1O	916293747	DRPKOJXCPYGKGN-UHFFFAOYSA-N	420.538	4.554	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)NC1CCC2(CC1)OCCO2	916413769	HJYODUPKUISPNY-AWEZNQCLSA-N	424.872	4.713	50	20	HJGD	
CC(C)N1CCC(NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	918184539	HWSTUNHAIZTMSD-OAHLLOKOSA-N	409.905	4.900	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2csc(COc3ccc(C)cc3)n2)n1	920387851	PSLLCJFGXVWCMK-RIYZIHGNSA-N	411.508	4.728	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3cc(C)nc4ccccc34)o2)c1C	1341365123	DKPGJWQNIRBWNL-CPNJWEJPSA-N	413.481	4.722	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C)n(C)c3C)cc2)CCC1	1789973868	FKKDYUYNCTXYFE-HXUWFJFHSA-N	415.965	4.797	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3c(F)cccc3F)cc2)CCC1	1790324388	WKPCLWNZTGTTRE-QGZVFWFLSA-N	420.887	4.659	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(C)C)CCC2)cc1	1791365612	TTWKJAZBWQAMEL-CEUCYRDJSA-N	407.352	4.506	50	20	HJGD	
CC[C@H](Br)C(=O)NC1(c2ccc(NC(=O)/C=C/C(C)C)cc2)CCC1	1792061145	JEGUHHCVPDFFRE-CEUCYRDJSA-N	407.352	4.506	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2c(-c3ccccc3)noc2C)cc1	8139517	MAHRMVNRPRYZEO-UHFFFAOYSA-N	408.527	4.624	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2Cl)c(C)n1C[C@H]1CCCO1	24003788	YPXBGDPQJFGAGL-XWNCKDQDSA-N	411.933	4.722	50	20	HJGD	
N#CSc1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)c(Br)c1	24150938	RYXTUNSZOYOBHX-UHFFFAOYSA-N	411.321	4.776	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)s2)cc1C	725831882	ACOQWQBCVYUJMT-UHFFFAOYSA-N	411.914	4.774	50	20	HJGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccc([C@@H](C)CC)cc2)nc2ccccc12	725908470	BWULRWDBLUTGTD-INIZCTEOSA-N	418.566	4.710	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1nc(-c2ccc(C#N)cc2)cs1	727266981	LWFOPWJQGJWZKU-ODLFYWEKSA-N	416.481	4.722	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1	729966867	VPLFJAOKFFWZKB-HXUWFJFHSA-N	410.926	4.943	50	20	HJGD	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(CCCCl)cc1	730997349	FHTVEIYPYUTJDQ-OAHLLOKOSA-N	408.976	4.911	50	20	HJGD	
Cc1nc(C)c(CCNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)s1	731021041	YNXGKTXPLIKHRR-DEDYPNTBSA-N	410.587	4.949	50	20	HJGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3ccnc4cc(Cl)ccc34)cc2F)n1	732676328	ILXRPOFXPXIUGB-UHFFFAOYSA-N	409.852	4.587	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc(-c2cccc(F)c2)no1	733807777	FRWBBPXLERGNLZ-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)[C@@H]1CSc2ccccc21	735657767	XNBRFHVJUCFDLD-LLVKDONJSA-N	417.250	4.801	50	20	HJGD	
CCn1c(C(C)=NNC(=O)COc2ccccc2-c2ccccc2)nc2ccccc21	741456150	GEFZALZPTMQHAX-UHFFFAOYSA-N	412.493	4.642	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(C3CCCCC3)[nH]n2)c(C)n1C[C@H]1CCCO1	743454362	HTHSKUHCRJOSKX-GUBQRQEFSA-N	421.545	4.600	50	20	HJGD	
O=C(NCCCSc1ccccc1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743504665	JQXOUGRLOLGGDM-UHFFFAOYSA-N	420.538	4.872	50	20	HJGD	
Cc1cc(C=NNC(=O)c2ccc(COc3ccccc3)o2)ccc1Br	746367669	AVLWRONRJREACM-UHFFFAOYSA-N	413.271	4.693	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(C#N)cc2)c(C)c1	748125939	DBSQJSMGMGTVPZ-UHFFFAOYSA-N	407.477	4.785	50	20	HJGD	
COc1ccccc1/C=C(\C(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	748650549	LTNKJOBADGHQKL-HKWRFOASSA-N	410.420	4.981	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(OC)c(O[C@H](C)CC)c2)c1C	749450848	FCPRJBSPWWIDHQ-JVVDOCDTSA-N	424.497	4.784	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1	752407701	KQPJTVCBKVWPLW-BOLOISJXSA-N	410.514	4.953	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(-c2ccccc2)nn1	754470852	ACUHNXXATBKFGS-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccc(COc4ccccc4)o3)co2)cc1	755582320	VZHCPIGYEKKUKS-UHFFFAOYSA-N	401.422	4.586	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2nnc(S)o2)cc1	758791799	ORSSRBVQKQYSRZ-UHFFFAOYSA-N	415.689	4.742	50	20	HJGD	
Cc1ccc(OCc2cccc(C(=O)NNc3ccc(OC(F)(F)F)cc3)c2)cn1	761588399	KGMMODIXSYVWPW-UHFFFAOYSA-N	417.387	4.625	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCC2	767408766	FWALZDGZACYNDX-UHFFFAOYSA-N	423.250	4.703	50	20	HJGD	
O=C(NN=Cc1ccc(F)cc1Br)c1ccc(COc2ccccc2)o1	767766479	UUNZXYYRIZGZLC-UHFFFAOYSA-N	417.234	4.524	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cccc(Br)c2OC(F)F)c1	776725654	OGLMGAKMQQTQFZ-MDWZMJQESA-N	408.198	4.849	50	20	HJGD	
CN(NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12)C(N)=O	782125316	UIACEEIBKKVHMD-UHFFFAOYSA-N	423.687	4.517	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ncc(C(C)C)s2)c1C	783490975	WYEPWNHRMQDGHC-OADJVDCOSA-N	401.532	4.543	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2F)ccc1Oc1cccnc1	786054214	RXDWWMQOOCQUSR-VCHYOVAHSA-N	405.404	4.684	50	20	HJGD	
O=C(NN=Cc1cc(Br)c(Cl)s1)c1cccc(OC(F)F)c1	790162341	QZDHNILOZRTXLR-UHFFFAOYSA-N	409.639	4.529	50	20	HJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2c(Br)c(C)nn2C)cc1	790600475	CCCGQZBUYIAXAW-XBUHWIKASA-N	401.308	4.550	50	20	HJGD	
Cc1cccc(CCNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n1	791729054	KGKQUQDHEOSHGO-OAHLLOKOSA-N	403.857	4.974	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2nccnc2C2CCC2)c(C)n1C1CCCCC1	805461405	BGFYJKPKKKRXEG-ZHZULCJRSA-N	418.545	4.718	50	20	HJGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NNc1nccnc1C1CCC1	805468197	FDXXEUYUUZMORZ-UHFFFAOYSA-N	409.559	4.846	50	20	HJGD	
Cn1ccnc1[C@H](NCc1ccc(OCCCCl)cc1)c1ccc(Cl)cc1	811473401	XVDILNXGVWZKPS-HXUWFJFHSA-N	404.341	4.960	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	812764648	AMWYTLCNRSSIFA-YRUATGHUSA-N	420.557	4.766	50	20	HJGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	814727466	PCQYMXHRUUJOHK-UHFFFAOYSA-N	414.889	4.670	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3c(C)ccc(Br)c3C)c(C)cc2c1	815987168	VTDQEKPPIQHRHH-UHFFFAOYSA-N	414.303	4.688	50	20	HJGD	
Cc1cc(C=NNC(=O)Cc2c[nH]c3ccccc23)c(C)n1-c1ccc(F)cc1F	915270646	MLNRLFFLFUHJJG-UHFFFAOYSA-N	406.436	4.546	50	20	HJGD	
CC(C)CCn1nc(C(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)c2ccccc2c1=O	916334188	DZVVVDAXRBJEBJ-ROUUACIJSA-N	408.546	4.519	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1F)c1ccc(COc2ccccc2)o1	916359879	FQBRQPZRHPOTNZ-UHFFFAOYSA-N	417.234	4.524	50	20	HJGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)c1nc(O)c2c3c(sc2n1)CCCC3	917144861	LBHNARPDZUWPKR-YBEGLDIGSA-N	411.490	4.797	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2csc(-c3ccsc3)n2)cc1OC	920366419	OJBRRLLMUYCWGQ-UHFFFAOYSA-N	415.540	4.823	50	20	HJGD	
CCCCCCOCc1cccc(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)c1	920888148	SQNOQAINDXWXQH-BKUYFWCQSA-N	404.514	4.848	50	20	HJGD	
Cc1cc(C(=O)NNc2c(F)cc(F)cc2Br)c(C)n1Cc1ccco1	1116135164	STNZWIKIAFTLTD-UHFFFAOYSA-N	424.245	4.544	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)nn1	1319167961	VOQRADYDUWDHSA-UHFFFAOYSA-N	400.404	4.615	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1Cl	1320076767	JDCWLKCBIYOABR-UHFFFAOYSA-N	403.294	4.669	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)COC3CCCCC3)cc2)CCC1	1786014651	XYEFEYNLCHOTSE-UHFFFAOYSA-N	420.981	4.735	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1787766094	UZYGDVYGSCSIDZ-SFHVURJKSA-N	409.288	4.551	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCC1	1790214008	RMOURYJWHHPMJS-HXUWFJFHSA-N	423.315	4.810	50	20	HJGD	
C[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC2)cc1	1791435929	MOVYUAIPYJYRLN-JYJNAYRXSA-N	421.379	4.730	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OC	3616529	WYUZPLZZIBGGDA-KPKJPENVSA-N	407.253	4.565	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(OCC#N)cc3)n2)cc1	8238813	QXYPNRWBYHNZHV-CPNJWEJPSA-N	414.490	4.821	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(CN3CCSCC3)c2)c1C	212080716	SOXRNENWIOSZMQ-PXLXIMEGSA-N	422.598	4.609	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c2c(c1)C[C@H](C)O2	727743767	HGWKONOPWIEIBX-REPOHMLUSA-N	403.265	4.871	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730596944	KIWJAGDILJIFQN-KGLIPLIRSA-N	414.745	4.768	50	20	HJGD	
Cc1ccccc1[C@@H](NC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C)C1CC1	732820889	XGYLPFXSBXYHMH-IBGZPJMESA-N	420.538	4.522	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)[C@H](Sc1ccccc1F)c1ccccc1	733808766	ILBQKOFYWCAUFY-OAQYLSRUSA-N	404.470	4.746	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)c1cc(F)ccc1F	740799932	WPOJYDKRWPGRJL-NLIUNQKYSA-N	415.484	4.765	50	20	HJGD	
CCOc1ccccc1[C@@H](CC)NC(=O)NNC(=O)Nc1ccc(C)cc1Cl	743577133	MNEPTBWZMKWBTR-MRXNPFEDSA-N	404.898	4.534	50	20	HJGD	
O=C(NNC(=O)N[C@H]1CCc2ccc(F)cc21)Nc1ccc(-c2ccccc2)cc1	743595621	DXIZCDLHPUPGHI-NRFANRHFSA-N	404.445	4.516	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c1C	744693014	UUNURHCGCDZOJS-IQJJTXKVSA-N	415.541	4.875	50	20	HJGD	
O=C(CCOc1ccccc1)NN=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1	747059602	USFFCAOSQLBLGS-UHFFFAOYSA-N	421.884	4.512	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)c1	747524185	YFVTYFBAAQEINZ-SNVBAGLBSA-N	400.306	4.562	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cccnc1Oc1ccc(Br)cc1	748563579	SQEQAIVJVNFLJN-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
COc1cccc(C2(C(=O)NNc3ccc(OCC(F)(F)F)cc3)CCCC2)c1	748704723	OENHURNUIYNZMQ-UHFFFAOYSA-N	408.420	4.591	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(F)(F)F	750898911	ACASSSDUATUMBO-ZROIWOOFSA-N	408.351	4.711	50	20	HJGD	
O=C(NCC1(C2CC2)CCC1)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	752421221	YGMIIBCYYZBJCM-MRXNPFEDSA-N	420.884	4.541	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H](N2CCCC2=O)C1	752979945	QDCMBZIGVVFFGE-CYBMUJFWSA-N	413.412	4.963	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2cc(Cl)ccc2Cl)c1Cl	753688215	DQWFSFLISVLWSK-UHFFFAOYSA-N	412.491	4.695	50	20	HJGD	
CC(C)n1ncc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c1-c1ccccc1	754249755	XFVZLHIOASFABN-UHFFFAOYSA-N	413.403	4.778	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NN=c1cc[nH]cc1Cl)c(C)n2C1CCCCC1	757406834	YCJMEQLOBWPMAI-UHFFFAOYSA-N	412.921	4.691	50	20	HJGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	758417170	GVNKXIRYFMISKG-ZSOIEALJSA-N	419.487	4.982	50	20	HJGD	
C[C@H](CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)Oc1ccccc1	762662748	RWEWIEYLXUAARL-GFCCVEGCSA-N	424.391	4.866	50	20	HJGD	
C[C@@]1(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCS1	762671447	GOPJGRXBJMVIIZ-AWEZNQCLSA-N	404.426	4.684	50	20	HJGD	
CCc1nn(C)c(OC)c1CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762969882	HOVWPEQUDVEVAL-UHFFFAOYSA-N	414.400	4.970	50	20	HJGD	
Cc1coc(-c2cc(NS(=O)(=O)c3ccc(CCCCl)cc3)ccc2C)n1	763299607	DDBHLGOSQCEJNW-UHFFFAOYSA-N	404.919	4.931	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc(-c3cccs3)nc3ccccc23)c1	768706986	BRZJBBSNGIBAIV-UHFFFAOYSA-N	405.870	4.640	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ncc(Cc2ccc(F)c(F)c2)s1	769931756	LOBYADXLUDDGMK-UHFFFAOYSA-N	417.466	4.770	50	20	HJGD	
CCC(C)(C)NC(=O)c1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1	769973035	CHEYXIACLNLJMI-UHFFFAOYSA-N	408.424	4.772	50	20	HJGD	
Cc1cc(Br)c2ccccc2c1NC(=O)NNc1ccc(Cl)nn1	770067905	AUHQKQRFTSVKLD-UHFFFAOYSA-N	406.671	4.503	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@H]1CCc2ccccc2C1	773147882	AZADAWRBFHUPTP-HNNXBMFYSA-N	420.403	4.956	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H]1CN1CCCC1	777909032	OYSFXLFGHURVSN-CYBMUJFWSA-N	420.469	4.593	50	20	HJGD	
CCCCCOc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1OC	787009421	ZELFMAUDMYPROS-LCJWNIEWSA-N	408.498	4.754	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1	787145225	PCQMXPNUOCDGKZ-OWMRDYPQSA-N	418.478	4.893	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3ccc(C#N)c(Cl)c3)ccc2n1Cc1ccsc1	788530112	HQEYKUGRHQCWAV-UHFFFAOYSA-N	421.913	4.737	50	20	HJGD	
CCCOc1ccc([C@H](C)NC(=O)NNc2ccc(Cl)c(OC)c2)cc1OC	788867388	VFSBXCLPDLGMGG-ZDUSSCGKSA-N	407.898	4.533	50	20	HJGD	
COc1cccc(NC(=O)[C@@H](OC(=O)/C(C#N)=C/c2ccccc2)c2ccccc2)c1	793070928	FKLPSMMIDFCPKO-FIWMFUAISA-N	412.445	4.525	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)ccc1Cl	800571696	OQAXTTVNLLCOPL-UHFFFAOYSA-N	407.751	4.577	50	20	HJGD	
CC(C)Cc1nc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cs1	804209239	RLVAPKKXWCLMSB-UHFFFAOYSA-N	421.448	4.574	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1	812316821	OTGSKAJGBXKXNA-UHFFFAOYSA-N	406.486	4.790	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1csc(N)n1	812381519	VWSYGWSMELXDDV-UHFFFAOYSA-N	416.959	4.825	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)s1)C(=O)NCc1ccco1	844240072	NFYUGAAYLMBPSO-GXDHUFHOSA-N	413.296	4.994	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2sc3nc(C)nc(C)c3c2C)c1	873906783	IXOCKVXKMNOFBX-UHFFFAOYSA-N	410.543	4.577	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](c2ccsc2)N(C)C)c(C)n1C1CCCCC1	914505764	HBYKVPLSIHFZQY-RQLGBQGVSA-N	424.614	4.998	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)Nc2ccccc2)cs1)c1ccc(F)cc1F	915844363	ZEPPOUPJOWWQIJ-ZROIWOOFSA-N	424.432	4.652	50	20	HJGD	
O=C(NN=Cc1ccsc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	915908667	JQEYCMNERIKVPK-UHFFFAOYSA-N	411.486	4.826	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3ccc(OCc4ccncc4)cc3)cc2C1	915952677	VAGCIVBVNJDFFM-INIZCTEOSA-N	405.523	4.611	50	20	HJGD	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(N)=C(C#N)C#N)cc1	916138082	LDIZKFUVCONKDU-LDADJPATSA-N	422.517	4.818	50	20	HJGD	
O=C(NNC(=O)c1ccccc1F)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1	916827362	GPHWFLSCRANXAW-UYRXBGFRSA-N	412.823	4.620	50	20	HJGD	
Cc1cc(C)c(C(=O)CCCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(C)c1	917361517	MMURITLAUAZXPT-UHFFFAOYSA-N	421.324	4.733	50	20	HJGD	
O=C(NCc1cccc(COCc2ccco2)c1)NNc1ccccc1C(F)(F)F	918211280	HQGZJQUGTZFCDB-UHFFFAOYSA-N	419.403	4.842	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	921261697	NRLGCSRLAFWZQC-LFYBBSHMSA-N	415.833	4.559	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2nc(N)c3ccccc3n2)ccc1OCC(F)(F)F	1251444067	RWWUCIRPBCYUDO-NTEUORMPSA-N	414.387	4.616	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(C)[nH]c2ccc(OC)cc12	1323771861	PBRXPXUACUQPBN-UHFFFAOYSA-N	402.292	4.567	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C)cc2)CCC1	1787367341	RJRBLEUDBXMSPV-QGZVFWFLSA-N	419.319	4.509	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)CC2)C1	1806162779	URJZQOXLTGLWTP-PZJWPPBQSA-N	419.009	4.737	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C)[nH]n1	1815315589	XFVDGTNCOMLFBB-WMZOPIPTSA-N	420.916	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)[nH]n1	1815324666	TZUFWODEZDNJGY-WBVHZDCISA-N	408.974	4.780	50	20	HJGD	
O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Cl)[nH]n1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	1818929262	MMXKWBKFBXOECF-MBZOWXSBSA-N	424.948	4.543	50	20	HJGD	
CC(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(Cl)Cl)[nH]n2)cc1	1820591934	OUXSGVOKABAGOA-MRXNPFEDSA-N	423.344	4.643	50	20	HJGD	
C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCCCCCCl)n[nH]1	1820824568	WEOORZZBUXDLIA-LJQANCHMSA-N	420.985	4.785	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1	1824610283	XZLLKBLWPRVKEU-IAGOWNOFSA-N	420.972	4.695	50	20	HJGD	
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NNc2cccc(C)c2)c1	215782035	BHQDGVIQLZODSG-UHFFFAOYSA-N	412.493	4.922	50	20	HJGD	
CCOc1cc(C(=O)NN=Cc2ccc(C(F)(F)F)cc2)cc(OCC)c1OCC	254318383	QXOTXFKKTGFIQH-UHFFFAOYSA-N	424.419	4.665	50	20	HJGD	
CCCOc1ccc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1OCC	730568499	LULUIFWWSQEICR-UHFFFAOYSA-N	423.538	4.690	50	20	HJGD	
CC[C@H](C)CN(C)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	731998710	ZUUYSUJVUMBSBU-JIHKLPAASA-N	409.921	4.529	50	20	HJGD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1ccc(CCCl)cc1	732548702	NMBVWYKVIJSXKX-UHFFFAOYSA-N	408.951	4.562	50	20	HJGD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NNc1ccc(Br)cc1Cl	740082374	PZOBGLFRYWYSMG-UHFFFAOYSA-N	413.102	4.923	50	20	HJGD	
COc1cc(C(=O)NNc2ncccc2C(F)(F)F)cc(Cl)c1OCC(C)C	740088369	YQGDTECXPBTHFB-UHFFFAOYSA-N	417.815	4.554	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F	741922440	DHZYBVXTFFTUML-VIFPVBQESA-N	405.203	4.577	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2cccc(Cl)c2)c(-c2ccc(F)cc2F)n1	742041688	CDVINBJKMBTGKM-UHFFFAOYSA-N	404.848	4.994	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCc2nc(C(F)(F)F)cs2)c(C)n1CC(C)C	742929477	KMDMNHIYVZRXQZ-LZYBPNLTSA-N	424.492	4.502	50	20	HJGD	
O=C(NNC(=O)N[C@H](c1ccccc1)C1CC1)Nc1ccc(-c2ccccc2)cc1	743521218	PAGLAUYQHIFHSO-JOCHJYFZSA-N	400.482	4.841	50	20	HJGD	
O=C(NNC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1)c1cccc2ccccc12	743630238	QKQVTYZEIVETLQ-IBGZPJMESA-N	412.493	4.555	50	20	HJGD	
C[C@H](CNC(=O)NNc1ncc(C(F)(F)F)cc1Cl)Sc1ccccc1	743691424	JZZOLPSJFOFLRN-SNVBAGLBSA-N	404.845	4.561	50	20	HJGD	
O=C(NC[C@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1)c1ccccc1	746638034	LLCOCRTULJVXSS-MOPGFXCFSA-N	406.617	4.512	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=NNC(=O)c2ccc(C#N)cc2)cc1	747052322	YKDRACQDHKIWOZ-UHFFFAOYSA-N	423.451	4.622	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc2c(c1)nc(O)n2C1CCCC1	748018016	CWYUYQMNUAJQJR-UHFFFAOYSA-N	405.285	4.921	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2oc3ccccc3c2CSc2ncccn2)c1	748346929	RBQIHOCKJRUNQM-UHFFFAOYSA-N	404.495	4.889	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1cc(C)ccc1F)c1ccc(C(F)(F)F)cc1	748359868	AAIWWJSURLFCJX-BENRWUELSA-N	411.424	4.574	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1[nH]c2ccccc2c1Br	748501919	MKOXFHOVJKNRGD-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(OC)c(OC)cc1OC	748673124	XPLOQDUMSLOIPU-UHFFFAOYSA-N	400.500	4.663	50	20	HJGD	
CCC1(C)CCC(=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1	751516239	LHCHPBGRLCEIPD-UHFFFAOYSA-N	419.572	4.625	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)c3ccc4ccccc4c3)cc2)cs1	755557711	NQWRWIJTGRPFAM-UHFFFAOYSA-N	402.479	4.738	50	20	HJGD	
COc1ccccc1CSc1ccccc1NC(=O)NNC(=O)CC(C)(C)C	757733950	UVFBKHDOWCZZJY-UHFFFAOYSA-N	401.532	4.576	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3c(C)noc3CC)c2C)cc1	760080491	TVIGIFMISXDCER-UYRXBGFRSA-N	418.497	4.897	50	20	HJGD	
CC[C@@H](C)n1ncc(C(=O)NNc2ccc(Br)cc2Cl)c1C1CC1	760504420	MPXLNFNUFBAODS-SNVBAGLBSA-N	411.731	4.904	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1SC1CCCC1	765008075	BYEGOHVGYCXDID-UHFFFAOYSA-N	423.441	4.988	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cccc3c2ccn3CC(C)C)c1C	774015416	CNFGZWMKIAEGHY-UHFFFAOYSA-N	414.513	4.523	50	20	HJGD	
COc1ccccc1/C=C(/C(=O)NNc1ccc(C(F)(F)F)cn1)c1ccccc1	775252406	JXLWIVRTNZQWSK-QGOAFFKASA-N	413.399	4.793	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2sc(C3CCCCC3)nc2C)c1C	775603672	ZVIWLBDAIGGPLJ-UHFFFAOYSA-N	402.589	4.747	50	20	HJGD	
N#Cc1ccccc1Oc1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	778392317	KKNNJNTZJXECSG-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)S(=O)(=O)CCCCCl)s2)cc1	780800835	UUSXKSVYGVBXQL-OAHLLOKOSA-N	400.997	4.769	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)O[C@H]2C=CCCC2)c(-c2ccc(Cl)cc2)n1	781869289	QGSSQRHPNAMUBO-NXNYUAIASA-N	406.873	4.676	50	20	HJGD	
Cc1cc(NNC(=O)C(=O)Nc2ccccc2-c2ccccc2)ccc1Br	783922830	GIWDBCPMAYCCJT-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NNc1ccccc1Cl	784779554	IWQCJMRFDYZNNP-MRXNPFEDSA-N	423.900	4.870	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1C(=O)N1CCCCC1	786190773	UHFURQJNTMZKTI-UHFFFAOYSA-N	420.435	4.789	50	20	HJGD	
CCOc1cccc(/C=C(/C#N)C(=O)N[C@@H](CC)c2ccccc2)c1OC(F)F	787141460	NQIJUVPONJHSOR-FDWYHIAWSA-N	400.425	4.861	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCN(Cc3ccccn3)CC2)cc1	788008852	GWQZJIBGFGSCLL-UHFFFAOYSA-N	411.666	4.921	50	20	HJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(Cl)c(OC)c3)c(F)c2)cc1	790178968	GGZCITYHWRELNW-UHFFFAOYSA-N	400.837	4.920	50	20	HJGD	
CCN(CC)c1nc2sc(C(=O)NNc3ccc(Cl)c(OC)c3)cc2s1	790180704	ULBQHLSZJWVOBP-UHFFFAOYSA-N	410.952	4.623	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C1(c2cc(C(F)(F)F)ccc2Cl)CC1	791069141	FSELSJCNGXSBAE-UHFFFAOYSA-N	417.746	4.581	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)[C@H]1CCCOC1	794884533	PZFSCBAPLKZMJA-DYGKOUCMSA-N	401.441	4.581	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)cc1	797750900	NBXMODMEKURKCZ-UHFFFAOYSA-N	418.534	4.596	50	20	HJGD	
O=C(NNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)Nc1cc(F)cc(F)c1	802001626	NWYKVSFFDYOOKR-IUXPMGMMSA-N	417.412	4.559	50	20	HJGD	
Cc1csc(SCc2c(C(=O)NNc3ncccc3F)oc3ccccc23)n1	804220423	YKFAQUSVGVXGDH-UHFFFAOYSA-N	414.487	4.781	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2cccnc2)on1	817015526	GKDZSMOSNHQSGA-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
O=C(NNc1ncncc1F)c1sc(-c2ccccc2)cc1OCc1ccccc1	817080781	DOEJDLUGPVINFS-UHFFFAOYSA-N	420.469	4.680	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)[C@H](C)c1cccc(OC)c1	914509864	FWAVVOHPGGUXAM-ICXVXVOZSA-N	423.557	4.838	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nnc2n1CCCCC2	915845727	RWRUZGBSKQARIA-RAXLEYEMSA-N	409.833	4.890	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc(Cl)cc3)cc2)n1	916294913	JYIKNTHWTYVPNH-UHFFFAOYSA-N	410.930	4.803	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)Cc3ccc(F)cc3)s2)cc1	916351765	QWFQYFQPZGTZPT-UHFFFAOYSA-N	402.882	4.680	50	20	HJGD	
CCCCCCCC(C)=NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	916606211	XEDMBFJMHZRRBK-UHFFFAOYSA-N	418.541	4.911	50	20	HJGD	
O=C(CN1CCCCCCC1=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918562853	KQDUYKUSWYORHR-INIZCTEOSA-N	408.873	4.637	50	20	HJGD	
CCc1ccc(-c2nc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)cs2)cc1	1318213677	KDSOXVZQMLPDES-UHFFFAOYSA-N	420.321	4.754	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	1341230568	SBZFDCQXDLFKEH-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
O=C(Cc1ccccc1Cl)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788582988	YSORZFMBMJTOGZ-GOSISDBHSA-N	409.288	4.551	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3sc(C)nc3C)CCC2)cc1	1790485528	FDJXNDWTRIOKSY-INIZCTEOSA-N	405.951	4.525	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(F)c3)CCC2)cc1	1790489449	DBYYOGVQFRLHKC-SFHVURJKSA-N	406.860	4.730	50	20	HJGD	
C[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1	1791432961	FDKHZNVLYIKLPC-HNNXBMFYSA-N	421.379	4.874	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)c(F)c1F	1792114617	YRCRLXYCGXFXMR-QGZVFWFLSA-N	410.823	4.555	50	20	HJGD	
C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)c1	1792123853	RIZZLTGUKRXTIG-LIRRHRJNSA-N	413.880	4.596	50	20	HJGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1oc1ccccc13)C2	1800073390	XRBYEYAFNRTTJM-QOIOWGMHSA-N	424.928	4.855	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2C)CC1	1832570708	WTJBWWKRVGPGMO-NHCUHLMSSA-N	404.982	4.554	50	20	HJGD	
C#CCCCC(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1846374317	UCEHABNDUZTLRU-UHFFFAOYSA-N	409.014	4.743	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3n2C)cc1OC	22135215	SVOIJAWSBRNGPI-XNTDXEJSSA-N	424.298	4.973	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)n1C1CCCCC1	212423845	AMESMZCMSBRQAJ-QNGOZBTKSA-N	418.541	4.858	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2nc(-c3ccc(C(C)C)cc3)no2)cc1	213361186	GSEYNNAYDLORPA-UNOMPAQXSA-N	403.438	4.519	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)cc1	727495847	YCXIHKQPPGECGY-UHFFFAOYSA-N	424.570	4.884	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c2c(c1)C[C@@H](C)O2	727744109	KAAQNEBDBUYDBK-AZZDOICSSA-N	402.372	4.583	50	20	HJGD	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)CCSc3ccc(F)cc3)sc2c1	729299290	NXDUTQWIICQABN-UHFFFAOYSA-N	422.934	4.946	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)Cc2ccccc2C(F)(F)F)cc1	729687870	DJMVEYSXBGJGSP-UHFFFAOYSA-N	409.477	4.608	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)CCc3ccccc3O)s2)cc1	729937708	ALLNVOMXTZBORR-UHFFFAOYSA-N	414.918	4.637	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2Cl)cc1Cl	730434462	NDAIIUWTHHEVAL-WQLSENKSSA-N	407.253	4.565	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)Cc2ccc(C)cc2C)c1C	731181061	ZYGFEIUPVDLAIX-WBMMBVCFSA-N	407.558	4.584	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc(Br)c1OC	732715075	JHWZTTFUCBYXBV-XNTDXEJSSA-N	421.335	4.554	50	20	HJGD	
CC[C@H](C)n1ncc2c(C(=O)NNc3ccc(Br)c(C)c3)cc(C)nc21	734252852	BVTXBZOGTKGPLC-ZDUSSCGKSA-N	416.323	4.539	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1cccc(Cl)c1Cl	735517596	DDCLBUBPWPXVEG-CYBMUJFWSA-N	416.308	4.781	50	20	HJGD	
CC(C)(C)CCCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	739783336	TVNIBZYCUFABSU-NBVRZTHBSA-N	423.948	4.967	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1	740765503	DMJBXXYZYGMXNC-CIAFOILYSA-N	418.928	4.733	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNc1c(Cl)cc(Br)cc1Cl	742006675	PATBSBLUEKUZKJ-UHFFFAOYSA-N	413.102	4.923	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(c3cccc(F)c3)CCOCC2)c1C	744380017	RTZWHDUYDQKLFV-RCCKNPSSSA-N	423.532	4.773	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2nccs2)c(C)n1-c1cccc(Cl)c1	746358732	FFAOGIQDRBMRBH-LICLKQGHSA-N	410.930	4.770	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	752809757	HNYBMLAHQSWYCJ-UHFFFAOYSA-N	424.162	4.600	50	20	HJGD	
COc1cc(Cl)c(C=NNC(=O)c2ccc(Br)s2)cc1Cl	753924232	RPWVJMSAJDZXER-UHFFFAOYSA-N	408.104	4.590	50	20	HJGD	
CN(C)c1cccc(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n1	755097261	XMANGXSKYPOESO-OAHLLOKOSA-N	418.872	4.689	50	20	HJGD	
CC[C@H](C)c1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1	755807667	QSRCPOGJIQLANU-ZDUSSCGKSA-N	415.419	4.828	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3cccnc3)nc2)c(C)n1CC(C)C	760785113	LUIZZFBTPYDFDT-RGVLZGJSSA-N	415.497	4.889	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)c1O	761014484	GEMZWPOMCQEUGG-XYOKQWHBSA-N	421.678	4.671	50	20	HJGD	
C[C@H](c1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1)N1CCOCC1	770030789	MVRGMGFFGZSZET-CYBMUJFWSA-N	409.317	4.535	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3ccsc3)CC2)c1C	777081098	MYLIMHUAZFSJNN-ORWNMUSCSA-N	411.571	4.687	50	20	HJGD	
Cc1ccc(Sc2ccc(C(=O)NNc3cc(Cl)ccn3)cc2[N+](=O)[O-])cc1	778451085	ANDCCLMVULJNMR-UHFFFAOYSA-N	414.874	4.860	50	20	HJGD	
CO[C@@H](C)c1nc(COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cs1	782427822	RFBBJTGXLLYTDM-KCBNLNMNSA-N	415.559	4.965	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)cnn1-c1ccc(F)cc1	782752546	XHWDXZCUHDKXFL-UHFFFAOYSA-N	406.383	4.740	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2c(C)nn(C(F)F)c2C)c1C	784996313	HKPPNJXCZXZTMN-ZDLGFXPLSA-N	404.461	4.764	50	20	HJGD	
CC(C)[C@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F	785362172	COIOZZALGDRXEC-UIRWJGRMSA-N	416.399	4.819	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)ccc1Cl	788578424	VHONKJSNMFPSGX-UHFFFAOYSA-N	416.909	4.560	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791076659	SCWXLXKOHXRUCP-UHFFFAOYSA-N	411.389	4.682	50	20	HJGD	
C[C@H]1CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC2(CCOCC2)O1	792881725	NUGYTQLBMOKPDT-IBGZPJMESA-N	405.655	4.978	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(/C#N)C(=O)c1ccc(OC(F)F)cc1	794711446	LNUJLGRDHUEPSU-UVTDQMKNSA-N	414.799	4.620	50	20	HJGD	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NNc3nccnc3C3CCC3)c12	805467220	PUYAFXSEROGPLW-UHFFFAOYSA-N	420.517	4.503	50	20	HJGD	
CN1CCO[C@H]([C@@H](NCc2ccc(OCCCCl)cc2)c2ccc(Cl)cc2)C1	811486063	IFGXTMQYNPJSGB-VXKWHMMOSA-N	423.384	4.509	50	20	HJGD	
CC(=C\c1ccccc1OC(F)F)/C=C(\C#N)C(=O)N(CC(F)(F)F)C1CC1	811690906	HNWSPSGARBZIEA-MXOVAJDFSA-N	400.347	4.695	50	20	HJGD	
CCSc1cccc(F)c1NC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	813306082	SKMUBIMRPYGWLP-SFQUDFHCSA-N	401.507	4.548	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1C[C@@H](CO)c2ccccc21	814402088	CPCJAVFLYFCRAU-NSHDSACASA-N	415.405	4.629	50	20	HJGD	
COc1ccc(Cl)cc1/C=C(\C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	917144299	DYJKPPIMXUBWRJ-NTUHNPAUSA-N	402.686	4.994	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1	917790244	CKMOESTWLPJVKK-DEDYPNTBSA-N	406.486	4.742	50	20	HJGD	
CN(Cc1cccc(Cl)c1Cl)C(=O)NNC(=O)c1ccc2ccccc2c1	918014034	MMLHIRRGPLQCIX-UHFFFAOYSA-N	402.281	4.633	50	20	HJGD	
COc1cccc(Oc2ccc(NC(=O)/C(C#N)=C/c3cc(C#N)n(C)c3C)cc2)c1	918678130	ZHOHGPIICZNXHO-WOJGMQOQSA-N	412.449	4.552	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nnc(-c3ccncc3)s2)c(C)n1CCC(C)C	1253162990	OYWAQGAVVSCNBR-XDHOZWIPSA-N	420.542	4.610	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc([S@@](C)=O)cc2)c(C)n1-c1ccccc1F	1318742594	XSXMDVCSRGXLJC-IVAVUNJTSA-N	421.497	4.516	50	20	HJGD	
CC(C)(C)c1ncccc1C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788582543	JBYQGLDKRYAWHW-GOSISDBHSA-N	417.912	4.661	50	20	HJGD	
Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)c1Cl	1788588136	GDTZBDDIYMPOAF-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[nH]n1)[C@@H](F)Cl	1818039251	OKSVWTJLSFVFMO-WCUVPALXSA-N	424.948	4.543	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1824010882	HWNWAMSAYUYDOG-FQEVSTJZSA-N	411.030	4.842	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2C)CC1	1825780714	IJNUQDAJMHSIPG-ROUUACIJSA-N	411.011	4.697	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1	15509143	SPIJHICCVUQUSC-HSZRJFAPSA-N	417.896	4.609	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(-c2nc3ccccc3s2)s1	28774731	YQHBIBXTGVOMGF-UHFFFAOYSA-N	413.911	4.753	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OC(=O)c1cccs1	33422629	IQUZKTAGZPLLDM-KTMFNDIVSA-N	424.522	4.578	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1nnc2n1CCCCC2	206900890	PHONUYNIQHVVHV-AQTBWJFISA-N	417.900	4.974	50	20	HJGD	
Cn1c(SCC(=O)NN(c2ccccc2)c2ccccc2)nnc1-c1cccs1	726750873	ZJMCERDJPZTTOU-UHFFFAOYSA-N	421.551	4.505	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1cnc(-c2ccccc2)s1	727256469	WQTKNSHLOZSNQV-UHFFFAOYSA-N	404.520	4.626	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c1C	729974089	RYKVPSUWQCHNBL-KNXANBNZSA-N	419.569	4.701	50	20	HJGD	
Cc1cccc(COc2cccc(NC(=O)/C(C#N)=C/c3cc(C#N)n(C)c3C)c2)c1	732165601	ODGZGGJHHAUXPE-SRZZPIQSSA-N	410.477	4.638	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1	733956970	HQPXHUCJSBSVKS-LGMDPLHJSA-N	409.449	4.569	50	20	HJGD	
CC[C@@H]1CCC[C@@H](OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1	734724444	YQJARCHJPVBLOU-IGQUWRLZSA-N	402.498	4.883	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccsc2)c(-c2ccc(Cl)cc2)n1	736141779	NXSHQWOIRVVBLC-XNTDXEJSSA-N	407.886	4.724	50	20	HJGD	
Cc1cccc2cc(C=NNC(=O)c3cccc(Br)c3)c(Cl)nc12	741767862	NYYWYZNPXQWMJK-UHFFFAOYSA-N	402.679	4.723	50	20	HJGD	
CC(=NNC(=O)COc1cc(C)ccc1C(C)C)c1sc(-c2cccnc2)nc1C	747607003	FMCJFOQYHMWYIC-UHFFFAOYSA-N	422.554	4.865	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc(Br)cc2C)cc1OCC	748748819	SZJOEPOIWWQEHX-UHFFFAOYSA-N	407.308	4.702	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	748796177	FJHFVMZVOMDPPB-VXGBXAGGSA-N	403.429	4.907	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1	749201022	VAPZLJWKUHXKFM-UHFFFAOYSA-N	422.325	4.634	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2(C#N)CCSCC2)c(C)n1-c1cccc(Cl)c1	757980701	SJZCWVFIRBDKQT-WQRHYEAKSA-N	424.957	4.560	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1cccc(COCC(F)(F)C(F)F)c1	769962428	QMOUIIICAVRYQM-UHFFFAOYSA-N	405.779	4.906	50	20	HJGD	
Cc1cc(Sc2ncccn2)ccc1NC(=O)NNc1ccc(F)c(F)c1F	769994695	URXFBHWCWYAQOS-UHFFFAOYSA-N	405.405	4.502	50	20	HJGD	
C[C@H](CBr)CN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1	770654405	SFZOUGMUVJELOR-OAHLLOKOSA-N	402.336	4.720	50	20	HJGD	
CC(C)CNC(=O)c1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1Cl	771126203	VIXNJMSBKCJBKG-UHFFFAOYSA-N	413.280	4.667	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc1O	773144820	NMRWOFOFOCRFMP-NYYWCZLTSA-N	410.626	4.746	50	20	HJGD	
C[C@H]1[C@@H](C)SCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773281849	FARNIOOCCNMLAZ-VHSXEESVSA-N	404.426	4.635	50	20	HJGD	
O=C(Cc1nc(-c2ccc(F)cc2)cs1)NNc1cc(C(F)(F)F)ccc1F	773481744	HTTRBAQPFJNXGF-UHFFFAOYSA-N	413.371	4.793	50	20	HJGD	
CC(=O)c1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c(F)c1	776960166	KIYPRNZSHJLPAA-UHFFFAOYSA-N	420.065	4.855	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccccn1)c1ccc(Oc2ccccc2)cc1	777471473	LQFMOERSYHPKPI-UHFFFAOYSA-N	424.460	4.883	50	20	HJGD	
CCc1noc(C2CCC(=NNC(=O)COc3ccccc3-c3ccccc3)CC2)n1	778538522	MZXYHUJFSWMOHP-UHFFFAOYSA-N	418.497	4.508	50	20	HJGD	
COc1ccc(C2(C(=O)NNc3ccccc3OC(F)(F)F)CCCC2)cc1OC	779206998	IQWHBEDLKQQBLR-UHFFFAOYSA-N	424.419	4.558	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1	781023162	RESUYKZYPYKVNC-UHFFFAOYSA-N	419.359	4.620	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cccc(F)c1Sc1ccccc1	781250223	ZMNXMDOHJWGPJE-UHFFFAOYSA-N	405.454	4.533	50	20	HJGD	
Cc1csc(SCc2c(C(=O)NNc3ccnc(F)c3)oc3ccccc23)n1	781363535	SWUYEFFTLNXFES-UHFFFAOYSA-N	414.487	4.781	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c(-c2ccccc2)n1	788352129	RDXOBTOBRQLBQH-GZTJUZNOSA-N	409.424	4.874	50	20	HJGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccc(Br)cc1C(F)(F)F	790232777	LIGGCOJENWAPRI-RJRFIUFISA-N	407.617	4.799	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cccnc1OCc1ccccc1F	790818311	HUGXBDIAHOGPIN-UHFFFAOYSA-N	423.341	4.715	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC(O[C@@H]3CCOC3)CC2)cc1	792874574	WVIDLVSQKPLEQZ-JOCHJYFZSA-N	405.655	4.978	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2c(Cl)n1)Nc1ccc(Cl)cc1Cl	802094472	UZZUUSQAVHJQFB-UHFFFAOYSA-N	409.660	4.662	50	20	HJGD	
COCCOCc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	809145570	AGDRBBPGANYJMY-YVLHZVERSA-N	407.363	4.797	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(C(F)(F)F)cn1)c1csc(-c2ccccc2F)n1	816173111	RNQMCFSNUCBANT-UHFFFAOYSA-N	424.423	4.784	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1C	893371050	WXBBGHBPCZBCSM-BKUYFWCQSA-N	406.530	4.964	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccccc1C(=O)NCC(F)(F)F	913193094	XGIILFGPEPRBFO-LBPRGKRZSA-N	406.495	4.631	50	20	HJGD	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)s1)C(=O)NCc1ccco1	914786832	QKKGOYVXXXHXSV-UVTDQMKNSA-N	413.296	4.994	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3cnn(C(C)(C)C)c3)n2)cc1	915986130	WPAVLLSQJJQFLN-ZDLGFXPLSA-N	405.527	4.870	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccc(F)cc1	1116553578	ZOVKTJIUNBNDDZ-RUFMNPDLSA-N	409.505	4.598	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc([C@H]3COc4ccccc4O3)o2)c(C)n1CC(C)C	1345498135	XQEKODOUKQOKIM-JJYYRRLASA-N	404.470	4.721	50	20	HJGD	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CO[Si](C)(C)C)cc2)CCC1	1789647245	PLCXQHSKXJBZOL-UHFFFAOYSA-N	414.622	4.740	50	20	HJGD	
Cc1cc(C)cc(C(=O)NC2(c3ccc(NC(=O)CO[Si](C)(C)C)cc3)CCC2)c1	1789649876	VLQYDIMSRUDSNP-UHFFFAOYSA-N	424.617	4.903	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)C[C@H](C)c3ccccc3)CC2)C1	1806162686	SGEJSZPBGOUHER-FPOVZHCZSA-N	419.009	4.819	50	20	HJGD	
Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1823890973	GZFXUDZQVWYCSN-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C)CC1	1824618126	PNMSBTDEENVKJM-RTWAWAEBSA-N	422.972	4.775	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	206510296	VQVOCALEGXPVLM-PDGQHHTCSA-N	416.437	4.557	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(OC)c1	261379559	BTJUIVBXGNHKMW-XNTDXEJSSA-N	420.387	4.581	50	20	HJGD	
Cc1ccc([C@H](CNC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)N2CCCC2)o1	725744469	OKTKEYPEJHLVQL-UWYGHVLSSA-N	422.573	4.523	50	20	HJGD	
N#CCCCOc1cccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)c1	730435545	CJFSKRJVAZDRAA-GXDHUFHOSA-N	401.285	4.983	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cc(Br)ccc1OC(F)F)C1CCCCC1	732714933	IEOIWIYEHFDVAQ-LCYFTJDESA-N	413.262	4.749	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(c2ccccc2)C2CCN(C)CC2)c(C)n1CC(C)C	732732959	UEZKDKHBOSQJCQ-KQWNVCNZSA-N	418.585	4.795	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)c1cnn(-c2ccccc2)c1	733081833	BUIAWCBPTSJODR-UHFFFAOYSA-N	421.570	4.751	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)c2ccccc2)c1C	735438551	GYONVCHFCPVJSK-YDDPGSGASA-N	419.447	4.815	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC(=O)C(C)(C)c1ccccc1	740761984	UDMJKIBNZUINHU-UHFFFAOYSA-N	408.933	4.630	50	20	HJGD	
Cc1ccccc1C1CC(=NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1	743427185	KJDMEHFXFHZJKG-UHFFFAOYSA-N	421.504	4.906	50	20	HJGD	
CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NNC(=O)Nc1ccc(C)cc1Cl	743613390	AQCZJJTZMMVSEF-OAHLLOKOSA-N	409.317	4.659	50	20	HJGD	
C/C(=C/C(=O)NNC(=S)Nc1ccc(C)cc1C)c1cccc(C(F)(F)F)c1	743819904	KGYSAUZFQYHIHE-RAXLEYEMSA-N	407.461	4.743	50	20	HJGD	
CC(C)C[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)c1ccc(Cl)cc1	745841008	VQQJQBLDKQSIQH-MRXNPFEDSA-N	405.951	4.622	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)n2)c1C	745984926	NPWSEZJPONSGPS-MHWRWJLKSA-N	401.308	4.527	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1	746518058	KIYFUPKVBCOXRC-QMMMGPOBSA-N	406.096	4.865	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1ccc(Cl)cc1F	747643784	OULCUPAXVFCPJB-UHFFFAOYSA-N	418.255	4.870	50	20	HJGD	
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)NNc1cccc(C(F)(F)F)c1	747988640	WDGPBPNCTCTGPF-UHFFFAOYSA-N	418.371	4.755	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)o1	752779198	FRVIWCCUAUWFHQ-GOSISDBHSA-N	400.887	4.536	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1	754131878	ZBRSHTFWZZFYKL-SDXDJHTJSA-N	410.901	4.716	50	20	HJGD	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NNc1cccnc1Cl	754484070	XELBYQQSCPCWTR-UHFFFAOYSA-N	424.719	4.530	50	20	HJGD	
CC(C)c1ccc(Sc2ccc(NC(=O)NNC(=O)c3ccccn3)cc2)cc1	756295112	LEAOWMAVPLNPIB-UHFFFAOYSA-N	406.511	4.823	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1sc2cc(C(F)(F)F)ccc2c1Cl	759294588	UPGMIRUOTIVKFP-UHFFFAOYSA-N	416.768	4.634	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1	760730823	PEFAHXJTKKDVBC-TUOAVLBBSA-N	419.308	4.539	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3cccnc3)nc2)c1C	760780558	ATPUUKDLNRTCIL-UNOMPAQXSA-N	401.470	4.643	50	20	HJGD	
COc1ccc(-c2ccccc2)cc1C=NNC(=O)CSc1ccccc1OC	761274591	VRWUUBCSNCMKOZ-UHFFFAOYSA-N	406.507	4.613	50	20	HJGD	
Cc1csc(Sc2ccc(NC(=O)NNC(=O)OC(C)(C)C)cc2Cl)n1	765177331	SGWKGZAIEGFPHL-UHFFFAOYSA-N	414.940	4.817	50	20	HJGD	
COc1ccc(NC(=O)NNc2ccccc2)cc1OCc1ccc2ccccc2n1	770024829	WCARFFMJQVAQIO-UHFFFAOYSA-N	414.465	4.971	50	20	HJGD	
O=C(NC[C@H]1Cc2ccccc21)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772944481	BDIBDDLMJWFPHO-GFCCVEGCSA-N	406.376	4.739	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N(Cc1cccnc1)C1CC1	773598412	ICUWEUAFSXOCLN-UHFFFAOYSA-N	421.391	4.869	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)c(C)n1[C@H](C)c1ccccc1	775261377	ADAFXCZXGZCDOD-CQSZACIVSA-N	402.420	4.885	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1cccc(Br)c1OC(F)F)c1ccccc1	776770262	QXURRJYHUICTLM-AWEZNQCLSA-N	411.246	4.694	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1	777871261	JZRINEAUJHSVSB-PXNMLYILSA-N	424.357	4.907	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1c[nH]nc1-c1cc2ccccc2o1	781894624	ZTPIUHONVLGHSF-UHFFFAOYSA-N	403.829	4.781	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1nc(-c2ccccc2)no1	783700429	DSOKKGWKQYPILX-MDWZMJQESA-N	409.236	4.688	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	787156314	XPXCTSNCDHORGE-COYFKBPASA-N	417.421	4.648	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3nccc4sccc34)ccc2n1Cc1ccsc1	788587510	KJOILWTUGDSFGT-UHFFFAOYSA-N	419.535	4.821	50	20	HJGD	
COc1cc(NNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)ccc1Cl	789795670	BZJWFUBZDRAPRK-UHFFFAOYSA-N	423.860	4.846	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3)cs2)c1C	789927493	ZSPZGHCHVHUTJA-VBNMEBLOSA-N	420.538	4.982	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(F)c3c2C(=O)C[C@H]3C)c1C	790444022	UCKRPTCIGFSTFW-WTDYNNMLSA-N	424.472	4.654	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1	798427891	ZMNBRNDENWJWJG-SECBINFHSA-N	405.203	4.577	50	20	HJGD	
COCCOCc1ccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	809153576	YCKYJBFUXJHMLR-SFQUDFHCSA-N	421.522	4.503	50	20	HJGD	
Cn1c(CC(=O)NN=Cc2ccc(-c3ccccc3Cl)s2)nc2ccccc21	874066321	BCMBJYXTBRZKKO-UHFFFAOYSA-N	408.914	4.648	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2c(C)noc2C)c1C	914880091	NRUXHVJTYXMQEV-MTJSOVHGSA-N	402.498	4.573	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3ccccc3OCc3cccnc3)cc2C1	915951505	DMHCXWRLYPFDKS-INIZCTEOSA-N	405.523	4.611	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1F)C(=O)Nc1ccccc1Br	915990387	RUJAYLHAULQCGL-XFFZJAGNSA-N	424.067	4.896	50	20	HJGD	
Cc1ccc([C@@H](NC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)C2CC2)cc1	916234894	UYDGGGZPTUECHW-JOCHJYFZSA-N	409.530	4.515	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccn(C3CCCCC3)n2)c1C	1116798516	FAWJPXSEWPHMIU-NNIWKIFQSA-N	409.534	4.560	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)[nH]n1	1815321642	DTIXHJSDFNUZSF-MJGOQNOKSA-N	416.953	4.740	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)c3ccoc3C)cc2)cc1	8238036	ALEHSKWWTRCUJP-DEDYPNTBSA-N	401.418	4.744	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1	50864207	LLLMCXARPXFRRT-ACGFDXIYSA-N	404.510	4.619	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccnc1	211439971	PKXRFHPYNDTXQD-ZHZULCJRSA-N	405.461	4.788	50	20	HJGD	
C[C@@H](CN(C)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	727400425	XVLGHVCEXFBPKR-NGIIGVMLSA-N	423.520	4.633	50	20	HJGD	
C/C=C\COc1ccc(CCC(C)=NNC(=O)c2cccc(OC(F)F)c2)cc1	728434643	KYNANTBJICWYJA-WELLJDOKSA-N	402.441	4.981	50	20	HJGD	
O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NNc1ccnc2cc(Cl)ccc12	729514412	CERYCNJYEXGUOS-UHFFFAOYSA-N	413.264	4.882	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCC3(CCCCC3)C2)c(C)n1C[C@@H]1CCCO1	732174770	FSBDUGFKEQPTNX-AMCKHAKVSA-N	409.574	4.764	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NNc3nccc4sccc34)c12	734246453	CYIAJWCMCBIKDW-UHFFFAOYSA-N	420.542	4.739	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1	735696548	YIRORRVTYRFRPB-UHFFFAOYSA-N	414.799	4.821	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(SC)cc1OC	741160482	QOZDBHBHWYYCGY-UHFFFAOYSA-N	423.538	4.597	50	20	HJGD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)CCCC[C@H]2CCSS2)n1	742920936	KROQQLYMYHYMSA-KGLIPLIRSA-N	407.561	4.637	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	743821366	MVEVARPPSGYKET-GJZGRUSLSA-N	414.745	4.768	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(COC(=O)CCCC[C@@H]2CCSS2)CC1	745565980	LSXDJMJNIKAEPZ-MRXNPFEDSA-N	403.610	4.891	50	20	HJGD	
CC[C@H](C)C[C@H](C)NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	745888511	OQTWKGCFNFLHLD-IRXDYDNUSA-N	404.514	4.671	50	20	HJGD	
CC(C)(C)c1noc(-c2ccccc2C(=O)NNc2cccc(C(F)(F)F)c2)n1	747988586	UOXJNHSHCJKHOU-UHFFFAOYSA-N	404.392	4.810	50	20	HJGD	
CC[C@@H](C)n1c(SCC(=O)NNc2ccccc2Cl)nnc1-c1ccccc1	748306083	CTMAWRLGQWRAKA-CQSZACIVSA-N	415.950	4.805	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)c1	748414786	VALJGONWKMODEA-UHFFFAOYSA-N	405.523	4.863	50	20	HJGD	
O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1ccc(SC2CCCC2)cc1	755736537	HMIXTUBATBRIBW-UHFFFAOYSA-N	405.907	4.547	50	20	HJGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1	756260601	BCIGEPYWTQRCLQ-UHFFFAOYSA-N	423.231	4.719	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(C(F)F)cc2)c1C	764490731	XCRMFASDZUPIQW-ANQVYJHKSA-N	402.441	4.900	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(-n2ncc3ccccc32)cc1Cl	768179810	IJVIMFNQOPXKSB-UHFFFAOYSA-N	413.868	4.984	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(C(C)C)cc2)c1C	768745460	AIZNXEXQSBZXNM-OMMIQNFISA-N	422.525	4.769	50	20	HJGD	
CCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ccc(OC(F)(F)F)cc2)c1	769965978	KIRUFCFYTCLKIX-UHFFFAOYSA-N	416.787	4.736	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNc3ccc(Br)c(F)c3)c2)cs1	771682815	ZKZUPXHSRVFNDQ-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
CC(C)(CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccncc1	773459759	HXBIBUHDVYTZKJ-UHFFFAOYSA-N	423.407	4.772	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Oc2ccccc2)c1	773740290	BZOGLEMYJWTTJR-UHFFFAOYSA-N	415.371	4.580	50	20	HJGD	
C[C@@H]1C[C@@H](NC(=O)CCCC[C@@H]2CCSS2)CCN1C(=O)OC(C)(C)C	773781456	CRDJNMIOKKBACC-OWCLPIDISA-N	402.626	4.605	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	777478197	PDOAWHWWICHPJB-UHFFFAOYSA-N	420.476	4.548	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2C2CCOCC2)c(C)n1C1CCCCC1	777533517	LWZKBKVONWANJL-GOOXQAOHSA-N	409.574	4.935	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nnc(C3CC3)n2C2CC2)c(C)n1CCC(C)C	783115623	NFGZBDALRXRIKO-NDENLUEZSA-N	421.545	4.605	50	20	HJGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NNc1nc2ccccc2cc1C	785158565	IQMVKSFHXFUAOA-UHFFFAOYSA-N	422.554	4.824	50	20	HJGD	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)C1CCCC1	797432325	ATOYEWMQHQVXDH-UHFFFAOYSA-N	410.301	4.723	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1C	804138827	DOIBOQSGPGZNNY-PDGQHHTCSA-N	423.542	4.582	50	20	HJGD	
O=C(NC[C@@H]1COc2ccccc21)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	808966723	UFOIYYJRYNHRHM-LLVKDONJSA-N	422.375	4.575	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3nc(C(C)C)no3)c2C)cc1	858927070	GIODHZGJIQZIBR-YBFXNURJSA-N	404.470	4.559	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1	914834836	FTSQWGZKDNNNQF-UHFFFAOYSA-N	413.319	4.625	50	20	HJGD	
C[C@@H](CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)CN1CCCC1	916677111	QXMVLEWAHNGQJM-WFASDCNBSA-N	409.905	4.759	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC[C@H](N2CCCC2)C1	916677277	VJYKHSBFJDMXSH-XJKSGUPXSA-N	421.916	4.998	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNC(=O)Cc1ccc2ccccc2c1	917196186	FQUDVEPEIAVFRH-UHFFFAOYSA-N	417.534	4.552	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc2ccccc2c1	917547500	UFMKNRNZLUSNHE-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3ccsc3)cc2)CCC1	1788187133	LGXSAQHSRVMSLO-SFHVURJKSA-N	404.963	4.832	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cccc2ccoc12	1788589071	UOIJHLDFNDZGLO-SFHVURJKSA-N	400.837	4.715	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1	1789356975	JYBCSGMJUMECCX-GOSISDBHSA-N	424.932	4.718	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cnc3Cl)cc2)CCC1	1789718717	UVFCMVSNIWGSSK-MRXNPFEDSA-N	424.303	4.639	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccnc3Cl)CCC2)cc1	1790488144	VFNJBTFRKZFCRY-AWEZNQCLSA-N	424.303	4.639	50	20	HJGD	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](Br)CC)cc2)CCC1	1791363656	KTRAZMVXLCTTKW-WMLDXEAASA-N	407.352	4.506	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C3CCSCC3)cc2)CCC1	1792349235	QHGBLBHRBXADHM-GOSISDBHSA-N	408.995	4.671	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1	1815321386	VTUFERVXMCJCRG-RDJZCZTQSA-N	423.344	4.777	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)CC1	1832400884	CASFNDWRXBJEPZ-AUSIDOKSSA-N	409.014	4.618	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cnn(Cc3ccccc3Cl)c2)c1C	17699709	YFYRYMYTCRSEQC-RGVLZGJSSA-N	404.901	4.979	50	20	HJGD	
CC(C)CCOc1ccc(/C=C(/C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1	209840935	CJOGUGWHTPZUNY-JXAWBTAJSA-N	400.486	4.686	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNC(=O)c3ccc4ccccc4c3)c2)cc1	728516673	WTILSMPHEPFJFH-UHFFFAOYSA-N	407.429	4.579	50	20	HJGD	
Cn1c(C(=O)NNc2ccc(F)c(F)c2F)ccc1-c1ccc(Br)cc1	728716161	WYHAPISQTVFCMA-UHFFFAOYSA-N	424.220	4.629	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3occc3C(=O)O)cc2)c1C	730952238	UISZUNDGQFCAQL-PDGQHHTCSA-N	416.433	4.719	50	20	HJGD	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	731222329	QAOPQAGSAXMBJZ-CYBMUJFWSA-N	408.329	4.705	50	20	HJGD	
N#CCOc1ccc(CC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cc1	731966428	HPOQKNCPKFSWBL-KRWDZBQOSA-N	414.836	4.989	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1ccc(Oc2ccc(F)c(F)c2)cc1	732834014	ARDWZHQFCRTMFG-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCSc2nccs2)c1C	733973416	IWUCSXDGXVYSCE-QGOAFFKASA-N	402.589	4.567	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1cc(F)c(Cl)cc1Cl	743506760	SDAAUESFRQLESI-NSHDSACASA-N	420.271	4.991	50	20	HJGD	
CC(C)CCC[C@H](C)NC(=O)NNC(=O)Nc1ccc(Br)cc1Cl	743526948	PIIJZJYORQKZQF-NSHDSACASA-N	419.751	4.653	50	20	HJGD	
N#Cc1ccccc1OCc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)o1	747588464	JHIYFCNFKFYJBF-UHFFFAOYSA-N	401.344	4.506	50	20	HJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccc(Br)cc3F)o2)cc1	748190765	YFPFZIRVDQHCBF-UHFFFAOYSA-N	417.234	4.808	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2Sc2nccn2C)c1C	748511024	ANMQMMMIZFMVMB-RGEXLXHISA-N	419.554	4.945	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(C(F)(F)F)nc1Cl	748740167	ANHULVVWXIPAPV-UHFFFAOYSA-N	408.605	4.582	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)nc(-c2ccc(Cl)cc2)n1	752142132	KCAMSUBHJDTLGG-UHFFFAOYSA-N	406.795	4.881	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)nc(-c2ccc(Cl)cc2)n1	752144523	ZZZGSNLRRJALNT-UHFFFAOYSA-N	406.795	4.881	50	20	HJGD	
CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752972445	BQCQAZFBLRYVTG-JTQLQIEISA-N	410.430	4.631	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(F)cc1Br	753168740	LGZPYGPQILBQHL-UHFFFAOYSA-N	416.088	4.670	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2csc(CCc3ccccc3)n2)cc1	753441284	VFVDXRIWOPCXTP-UYRXBGFRSA-N	404.491	4.587	50	20	HJGD	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)NNC(=O)c2ccc3ccccc3c2)c1	757797081	AGKFUMCPNHBJDN-UHFFFAOYSA-N	424.888	4.698	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(Br)cc2cccnc12	759654362	CFNAZJZVUCTTIY-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
CC(C)C[C@H]1COCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762660860	FBOJHRRGWLDUQA-ZDUSSCGKSA-N	416.412	4.556	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1NCc1ccco1	765008957	HGWYOYMUCOJCMR-UHFFFAOYSA-N	405.376	4.590	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1Br	768006650	AFESMPGQQMPPTN-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Br)cc1	769773426	JOEZQIRCFWRBQI-JYRVWZFOSA-N	418.678	4.607	50	20	HJGD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)NNc1c(Cl)cc(Cl)cc1Cl	769936989	KNLANXGLTRGXQP-UHFFFAOYSA-N	422.721	4.507	50	20	HJGD	
CC(C)N(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc(N(C)C)cc1	771792137	WKCJGBGBZIWZKV-UHFFFAOYSA-N	420.537	4.977	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cc(Cl)ccn2)c(C)c1	778447920	VDJVGZRNLLGPGX-UHFFFAOYSA-N	417.900	4.961	50	20	HJGD	
COCCOc1ccccc1/C=C(/C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	787146518	YZILNVXMUBKKBP-VQCBNXJZSA-N	419.308	4.803	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1	799398302	INSMDFWNDVMTJS-UHFFFAOYSA-N	423.538	4.680	50	20	HJGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1C(C)C	802039680	QSXPGPFYBVVRBM-UHFFFAOYSA-N	418.497	4.783	50	20	HJGD	
COc1cc(NNC(=O)c2cc(Cl)cc(F)c2Br)ccc1Cl	803261754	VVGMOHHSVFHZNW-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
O=C(NNc1cccc(F)n1)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1	806375457	ZXHIVBUBZZKBJG-UHFFFAOYSA-N	413.158	4.617	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1nnc(-c2cc3ccccc3o2)o1	812769287	ZYSVOTCICFNCSN-UHFFFAOYSA-N	404.470	4.991	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H]2CCOc3cccc(C)c32)c1C	814032858	FMWJWZTXVYTRAY-ITMNURAISA-N	408.498	4.595	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CC[C@@H](C(F)(F)F)c2ccccc21	814399210	JXOKJUFXBDVCHN-MRXNPFEDSA-N	403.853	4.713	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ccncc3)c(C)c2)c1C	816834101	GDAVIZOLDQWKNR-PXLXIMEGSA-N	414.509	4.667	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccccn2)cc1	819843014	SDAACSGOXBSVJL-UHFFFAOYSA-N	424.504	4.832	50	20	HJGD	
Cc1cccn2cc(COc3ccccc3C(=O)NNc3ccc(Cl)cc3)nc12	841203586	QMMMMXDKZUXCBQ-UHFFFAOYSA-N	406.873	4.632	50	20	HJGD	
CC(C)n1ncc2cc(C=NNC(=O)c3ccc(Cl)cc3Cl)c(Cl)nc21	874089906	MYCQLBVXHWHDGZ-UHFFFAOYSA-N	410.692	4.736	50	20	HJGD	
CCN(Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C)C(C)=O	915168994	PNLHPHPABBMUQR-QRVIBDJDSA-N	420.557	4.675	50	20	HJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)N[C@@H]3CCCc4occc43)cc2C1	916577306	XHPLWIUIBGSERA-GOEBONIOSA-N	415.559	4.514	50	20	HJGD	
O=P(CCN(Cc1ccco1)Cc1ccco1)(c1ccccc1)c1ccccc1	917062795	NUIKLGQZVHLMSQ-UHFFFAOYSA-N	405.434	4.889	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3n2)ccc1O[C@H](C)C(=O)N(C)C	917144450	LRDKAMAXWARALN-LCJWNIEWSA-N	415.493	4.553	50	20	HJGD	
CCCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)c(C)c1	917863992	BUZOZIXZBRZLQA-KOMLCTQHSA-N	409.530	4.955	50	20	HJGD	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1ccc2ccccc2c1	918013541	KHRZOCRRASGCHU-UHFFFAOYSA-N	402.281	4.633	50	20	HJGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c(C)c1	918231370	HFNYEFAVDJHLDY-IBGZPJMESA-N	404.514	4.973	50	20	HJGD	
CN1CCC(N(C)c2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2)CC1	918356587	HLZJKYCEZDUQSJ-HXUWFJFHSA-N	407.649	4.870	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)c1	920065461	SDOPBGHCFQWVRE-UNOMPAQXSA-N	402.425	4.959	50	20	HJGD	
CCc1cc(NNC(=O)C2(c3ccc(C(C)C)cc3)CCC2)nc(-c2ccccn2)n1	1116111953	CBVAWCYBQOJVEM-UHFFFAOYSA-N	415.541	4.789	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2ccc3c(c2)oc2ccccc23)cc1	1118012196	YHZUNMUBSJSZSO-UHFFFAOYSA-N	405.479	4.616	50	20	HJGD	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1ccccc1Cl	1318618529	IMDBMNSNSYEKAC-GOSISDBHSA-N	413.930	4.638	50	20	HJGD	
C[C@@H](C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cccs1	1791815091	XGJMKJLUYLPOOU-GFCCVEGCSA-N	411.354	4.789	50	20	HJGD	
Cc1ccc(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)c1	1814700501	UOTGQWJFXDBTMU-SFHVURJKSA-N	416.953	4.597	50	20	HJGD	
CC(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)cc1	1830058056	TXLXZMZTPRPDEA-VQTJNVASSA-N	408.945	4.578	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1	1830750260	NQIKFTURSAEULE-YADHBBJMSA-N	416.993	4.815	50	20	HJGD	
CC(C)(C)[Si](OC[C@@H]1CC[C@H]1CBr)(c1ccccc1)c1ccccc1	2332241262	ATLSCFUCYNDZTH-OALUTQOASA-N	417.463	4.984	50	20	HJGD	
O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	7687870	CNZFHVBVCTXALA-UHFFFAOYSA-N	402.538	4.572	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccc(C)cc3s2)c1C	10410272	XVGFECRCHGZJBA-BFERYNQYSA-N	408.527	4.776	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1cccc(NC(=O)C(F)(F)F)c1	11291652	GXJKCKRIXIYRHX-GZTJUZNOSA-N	415.415	4.858	50	20	HJGD	
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	725751564	VBPVDRVXYSGNCK-CVEARBPZSA-N	402.626	4.558	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)Nc1ncc(-c2ccccc2)s1	727472184	WRIOCDNYWONMMR-UHFFFAOYSA-N	408.405	4.900	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1C	728129425	HHHUTXRKQAUAJE-CQSZACIVSA-N	411.487	4.722	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(/C#N)c3nc4ccccc4n3C)cc2)oc1C(=O)O	729937138	MDNWDCRGLRCXPL-ATVHPVEESA-N	413.433	4.816	50	20	HJGD	
COc1cc(C(C)=NNC(=O)c2cccc3ncccc23)ccc1SC(F)F	730146143	IEWPATGFFQPTHL-UHFFFAOYSA-N	401.438	4.712	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](N3CCCCC3)C2)c(C)n1C1CCCCC1	730795197	VHROHUMYUBNMIE-GOOXQAOHSA-N	408.590	4.604	50	20	HJGD	
CCc1cc(NNC(=O)c2ccccc2N(C)c2ccccc2)nc(-c2ccccn2)n1	738531158	COCLAYDUFOCUPW-UHFFFAOYSA-N	424.508	4.626	50	20	HJGD	
COc1ccccc1-c1ccc(C=NNC(=O)c2ccc(Br)s2)cc1	741456856	SIJMEAWJCFLRDL-UHFFFAOYSA-N	415.312	4.950	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(Br)cc1Cl)c1nc(C)sc1C	741771181	PRTZVVQXKFXNHY-UHFFFAOYSA-N	401.717	4.722	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](CN3CCCCC3)C2)c(C)n1C1CCCCC1	742117295	AJEBNVCRBBTRKD-OLCUMFGGSA-N	422.617	4.852	50	20	HJGD	
Cc1ccc(-c2ncc(C(=O)NNc3ccccc3Br)s2)c(C)c1	748068008	IKYCITUGULHNJM-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NNc1ccc(Cl)cc1	749268342	ZEMFDNACMGFHOP-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
N#Cc1ccccc1Sc1ccccc1C(=O)NNC(=O)c1cc2ccccc2o1	749474545	OPTMPYNRMRHTSU-UHFFFAOYSA-N	413.458	4.530	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2coc(-c3c(F)cccc3F)n2)cc1	751640789	YHHIZCPCNJQHBP-GDNBJRDFSA-N	410.376	4.669	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1	751955020	NWNQCDJTYRGMOP-AQTBWJFISA-N	417.415	4.692	50	20	HJGD	
O=C(NCc1ccc(COC2CCOCC2)cc1)NNc1ccc(Cl)cc1Cl	752687014	PDYLGPHVMUPLNR-UHFFFAOYSA-N	424.328	4.515	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1	756485962	BGQTUHLFTZDBNG-QFIPXVFZSA-N	414.465	4.697	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(C(=O)Nc2ccccc2)cc1	759663028	SALVJBDFTGSKQT-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2cnc(C3CCC3)s2)cc1	760212394	SGGYZZSJIFNRTF-BOPFTXTBSA-N	403.511	4.759	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@@H](CCO)c1ccccc1	762677042	MOQPNMDODNJOFE-HNNXBMFYSA-N	424.391	4.522	50	20	HJGD	
O=C(CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)NCc1ccccc1	762969605	UGSRNBVLMSSKIA-UHFFFAOYSA-N	409.380	4.782	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2NCc2ccco2)cc1C(F)(F)F	764484107	JWUOKMCAWOZMPO-UHFFFAOYSA-N	400.360	4.539	50	20	HJGD	
Nc1ncccc1C=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	764653500	FSOKBGWIFIIIAY-UHFFFAOYSA-N	422.488	4.674	50	20	HJGD	
CC[C@H](NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@@H](O)C(F)(F)F	766327227	QQNNFBGFIBYARH-WHGOUJPWSA-N	424.794	4.729	50	20	HJGD	
CC(=O)Nc1ccc(S[C@H](C)C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	767401466	FPZJADDEOUOEES-SECBINFHSA-N	416.305	4.715	50	20	HJGD	
CCc1c(C(=O)NNc2c(Cl)cc(F)cc2Cl)cnn1-c1ccccc1OC	769475475	ZBTPGKYQBDCRSK-UHFFFAOYSA-N	423.275	4.646	50	20	HJGD	
COc1cc(/C(C#N)=C/c2ccc3ccc(Br)cc3n2)ccc1[N+](=O)[O-]	774563247	YJMBUPNCYNHWCP-RIYZIHGNSA-N	410.227	4.978	50	20	HJGD	
O=C(O)c1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	777591891	UGWMZCOEINLMSY-UHFFFAOYSA-N	403.350	4.843	50	20	HJGD	
O=S(=O)(NCc1cccc2c1OCO2)c1cccc(S(F)(F)(F)(F)F)c1	777901453	XMGPXGOUQSXOIU-UHFFFAOYSA-N	417.377	4.551	50	20	HJGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1	783346625	VPEBNHMSEQJNEE-UHFFFAOYSA-N	416.506	4.662	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1c(F)cccc1OC(F)(F)F	788974770	GBAQAPBGLWEGNC-UHFFFAOYSA-N	423.391	4.541	50	20	HJGD	
CCCOc1c(C=NNC(=O)COc2ccc3ccccc3c2)cccc1OCC	794770485	ARFDTLYLFGKSBX-UHFFFAOYSA-N	406.482	4.556	50	20	HJGD	
Cc1sc(Br)c(C(=O)NNc2ccc(F)cc2Br)c1C	799705567	KJFOYEFTTUPIKM-UHFFFAOYSA-N	422.117	4.786	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1	799755893	MKQJBNKVDAWNIV-UHFFFAOYSA-N	420.509	4.911	50	20	HJGD	
COc1cc(C(=O)NNc2nccnc2C2CCC2)cc(Cl)c1OCCC(C)C	805465095	TUSFCOVVZFDCSM-UHFFFAOYSA-N	418.925	4.588	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc2nc(C(F)F)sc2c1)c1ccccc1	806693843	UDKBECISZLNDKY-ZDUSSCGKSA-N	404.442	4.580	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1nc2ccccc2cc1Br	809587423	OWZYEYAFMZRDNY-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
COc1cc(Cl)cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1	816641156	JQEOOQIEKQGCBJ-UHFFFAOYSA-N	422.794	4.581	50	20	HJGD	
CCOc1cc(/C=C(/C#N)S(C)(=O)=O)ccc1OCc1ccc(C(C)(C)C)cc1	916132974	WLLWLMSFMNLGOJ-MOSHPQCFSA-N	413.539	4.871	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1	916224374	KFPIYUDFLCECOV-QGZVFWFLSA-N	417.962	4.819	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc3cc(Cl)ccc3n2C)c1C	918967387	XEMKRWWVUPMEOV-YVLHZVERSA-N	410.905	4.705	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])o2)c(C)c1	919748544	OMONIHNCSGYCKZ-UHFFFAOYSA-N	415.833	4.794	50	20	HJGD	
N#Cc1ccccc1COc1cccc(C(=O)NNc2ccc(Br)cc2)c1	919811656	QMNNJALARCODAF-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	920437355	SFINQWDUSROUCC-GHMZBOCLSA-N	407.889	4.893	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)c(Cl)c1	1318669993	DSQQJAGCJBAGPK-UHFFFAOYSA-N	419.913	4.531	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(Cl)c3)CCC2)cc1	1790486133	TZOFWVBQVRKUNW-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccccc34)CCC2)cc1	1790486470	BMKQBNHDRPSJPS-HXUWFJFHSA-N	421.928	5.000	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC)cc2)[nH]n1	1815322174	MFLWUBQUXAGJGY-IEBWSBKVSA-N	416.953	4.686	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2C)[nH]n1	1820851107	PVRGGWVPCDPSSF-RHSMWYFYSA-N	423.344	4.695	50	20	HJGD	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](Cl)CCC)CC1	1824610723	RFNLFUOSHAIKAK-NHCUHLMSSA-N	409.014	4.782	50	20	HJGD	
Cc1ccc(C)c(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	21815762	RTLYVVJACLGBCF-LPYMAVHISA-N	421.541	4.857	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)c1	22016131	MWQYZBTZBZNZLD-CPNJWEJPSA-N	402.425	4.959	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2sc3cccc(F)c3c2COc2ccccc2)n1	23309309	ZIJDXPUEYDAMGZ-UHFFFAOYSA-N	422.485	4.783	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(Br)cc2)c1C	730292873	HMRMEPZCFYCXAG-WOJGMQOQSA-N	400.320	4.501	50	20	HJGD	
O=C(NN=Cc1cccc(F)c1F)c1ccc(CSc2nc3ccccc3[nH]2)cc1	730722438	QOANRHRJMCBHBH-UHFFFAOYSA-N	422.460	4.897	50	20	HJGD	
CCCOc1ccc(C(=O)NN=Cc2c(Cl)cccc2OC(F)F)cc1OC	732923885	LSQWAVOUHRSUMX-UHFFFAOYSA-N	412.820	4.503	50	20	HJGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NNc1nccc2sccc12	734247941	AWDHSDBPFMQHIU-UHFFFAOYSA-N	410.524	4.950	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1Oc1ccncc1	734419157	QCONUIRSCSKLNX-UHFFFAOYSA-N	416.264	4.564	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1cccc2ccccc12	741462842	PKSHEMPEAXCRJM-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(OS(=O)(=O)c2ccc(CCCl)cc2)c1	742315489	KLVABAQSSHJSAM-UHFFFAOYSA-N	411.907	4.583	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCCC(C)C	747613255	VBNPSEJQYRTDES-CPNJWEJPSA-N	421.497	4.624	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(-c2ccccc2Cl)on1	748748395	LBIMAWGDVPWFGH-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
Cc1ccc(NNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)cc1	749200398	GBDUWOPEWJVRDA-UHFFFAOYSA-N	401.297	4.733	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(CCC(F)(F)F)cc1	751558308	WDEVIRBFSUZREK-UHFFFAOYSA-N	405.203	4.563	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	751798491	XIEFTTOAIQXTST-QGOAFFKASA-N	403.482	4.996	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	752407539	QLPBDCABKWDGHD-RNRNPNDRSA-N	418.493	4.820	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(C(C)C)nc2onc(C)c12	753177468	NLIZEABEIFMJGK-UHFFFAOYSA-N	417.307	4.736	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(-c3cccnc3)nc3ccccn23)c1C	753347773	COTOUFUICGODCT-STZFKDTASA-N	424.508	4.770	50	20	HJGD	
CCc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)cnn1-c1ccc(C)cc1	754149386	BOPGCBNHGWWWMW-UHFFFAOYSA-N	406.383	4.658	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	755612233	CMTRHPFPCKWKFO-CQSZACIVSA-N	409.861	4.639	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1	759323028	ZHSKDXJQFMNLBE-UHFFFAOYSA-N	408.458	4.505	50	20	HJGD	
COCCn1c(C)c(C)c2cc(C(=O)NNc3ccc(OC(F)(F)F)cc3)ccc21	761590060	AGWVWXQDSSNBGL-UHFFFAOYSA-N	421.419	4.560	50	20	HJGD	
N#C/C(=C/c1cncc(Br)c1)c1ccc([N+](=O)[O-])cc1Br	767361671	WTWOARKQXQILTQ-KMKOMSMNSA-N	409.037	4.579	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(Br)cc1[N+](=O)[O-]	767718378	UQADGCLDZQBQFC-JYRVWZFOSA-N	410.227	4.937	50	20	HJGD	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NNc2c(Cl)cc(F)cc2Cl)c1	768078413	MNBKRVNQXKKHLQ-ZDUSSCGKSA-N	411.264	4.640	50	20	HJGD	
O=C(NNc1ncccc1Cl)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1	772536936	JFSRARLCFSYDGG-UHFFFAOYSA-N	410.730	4.546	50	20	HJGD	
C[C@H]1CCCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1	775172991	WHYZJDPUQPPDHG-AMRJIULGSA-N	421.932	4.673	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1	775524171	DEKPTRPQDWGODY-CYBMUJFWSA-N	407.326	4.993	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(Br)c1OC(F)F	776726311	VVCMBBSHYBPTRL-FMIVXFBMSA-N	423.213	4.605	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2nc3ccccc3cc2C)cc1	777477598	QZADOIOHXNUCEV-UHFFFAOYSA-N	402.523	4.969	50	20	HJGD	
C[C@H](CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)CN1CCCCC1	777899566	SAZVKZJQWXHGTB-CYBMUJFWSA-N	422.485	4.744	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	781092330	UPGJJLGCLXBDBS-CJAUYULYSA-N	422.388	4.884	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)C(=O)Nc1cccc(CSC2CCCC2)c1	785180196	LHWZURSLTSOVJT-UHFFFAOYSA-N	421.925	4.737	50	20	HJGD	
CCOc1ccccc1Oc1ccc(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)cn1	785340485	KTLFHIDIVLQKBF-UYRXBGFRSA-N	417.440	4.635	50	20	HJGD	
Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NNc1ncc(Cl)cc1Cl	786540582	DRSGCASPIODGCA-UHFFFAOYSA-N	417.709	4.652	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cnc2c(C)cc(Br)cn12)c1ccccc1	787180908	YYIURCWKVQOMPG-OUQXZNHLSA-N	423.314	4.580	50	20	HJGD	
COc1ccccc1-c1csc(C2CCN(C(=O)NCCSSC)CC2)n1	790882215	KHTOGAWDJJARJE-UHFFFAOYSA-N	423.629	4.719	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H](Sc1ccccc1F)c1ccccc1	791076644	RMDJQRGDQYIJCY-IBGZPJMESA-N	415.421	4.850	50	20	HJGD	
CC(C)CC(=O)NNC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1	795021522	ZJEATLXSUAZTOX-UHFFFAOYSA-N	414.358	4.588	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cc2c(OC)ccc(Br)c2[nH]1	799755397	YCGKHXMFXBASQA-UHFFFAOYSA-N	402.292	4.567	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C/C(C)=C\c2ccccc2C(F)(F)F)o1	799878174	QQTDGVKTAKJYKH-FYGDZHHJSA-N	407.436	4.959	50	20	HJGD	
O=C(NNC(=O)c1ncsc1-c1ccccc1)Nc1ccc(-c2ccccc2)cc1	802034866	JESDTNGTNXAFCT-UHFFFAOYSA-N	414.490	4.944	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)[C@H]1C[C@H]1c1ccc(F)cc1	804208133	YZFXBIPDDQJASJ-IRXDYDNUSA-N	416.378	4.548	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)c1csc(N)n1	812380928	MPOTXFFIWJMVDR-UHFFFAOYSA-N	416.506	4.612	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CC[C@H](c3ccccc3)C2)cc(OCC)c1OCC	814700280	PPZUPCLVNSCBHW-SFHVURJKSA-N	410.514	4.936	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](O)CC2)c(C)n1-c1cccc2ccccc12	819323816	GLFMSDVYWOYIPL-AEUZFIIDSA-N	413.521	4.528	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1	857500402	QPNWLQHYMYJHAF-QFIPXVFZSA-N	421.928	4.961	50	20	HJGD	
Cc1csc(Sc2ccc(C(=O)NNc3ccc(Cl)cc3)cc2[N+](=O)[O-])n1	865983626	AEOJMDCPOGLQJE-UHFFFAOYSA-N	420.903	4.921	50	20	HJGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)sc2n1	874078862	WOQFXJNVIGHFKT-OAHLLOKOSA-N	418.522	4.687	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CCO)Cc2ccccc2)c(C)n1C1CCCCC1	914533035	FLCUSHZLNLQKAO-XQNSMLJCSA-N	405.542	4.538	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cn1)c1ccccc1	916162969	WTJPYNAFABPIMB-CQSZACIVSA-N	401.388	4.997	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1cccc(F)c1	916295015	LMHISZQBHYATGG-UHFFFAOYSA-N	408.502	4.679	50	20	HJGD	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCC[C@H]2CCSS2)cc1Cl	916939920	JFURBUNDTZLCIM-KBPBESRZSA-N	412.964	4.710	50	20	HJGD	
Cc1ncc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)s1	919880095	WZNQJKFTDYYTJO-IUXPMGMMSA-N	410.930	4.736	50	20	HJGD	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1	1116206740	HMNNSCKFDMHSIF-GXDHUFHOSA-N	404.249	4.725	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)c(C)n1	1786012397	BXUMSJWPRYWOSM-UHFFFAOYSA-N	413.949	4.711	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC)cc3)cc2)CCC1	1788000491	ZAXZRAPGYFQUKE-FQEVSTJZSA-N	413.949	4.884	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3F)cc2)CCC1	1792228103	GRWCRLWUNVXIGH-SFHVURJKSA-N	420.887	4.659	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccsc2)n[nH]1	1815980556	VBBFZUBXGDFLHE-DBYORWSCSA-N	420.966	4.584	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1C1CC1	1847490710	VBVCOLGNHYPFMK-LRSLUSHPSA-N	423.041	4.984	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2oc3c(ccc4ccccc43)c2C)cc1	15429368	ZEVFHJRXJDXYBF-UHFFFAOYSA-N	419.506	4.925	50	20	HJGD	
Cc1noc(C)c1CCNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	303348071	XBABHUWUWBOKJO-ODLFYWEKSA-N	422.916	4.618	50	20	HJGD	
O=C(NNC(=O)C1(Sc2ccccc2)CCCC1)c1c(Cl)cccc1Cl	303514138	UCTIMHBZCGBKQS-UHFFFAOYSA-N	409.338	4.860	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(C)C)c(C)c2)c1C	303950113	SXFSIVZKIZTJDC-UZQMFHLOSA-N	409.530	4.954	50	20	HJGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C1CC1	727271100	XENQDTWAIJCPLB-CYBMUJFWSA-N	420.003	4.540	50	20	HJGD	
CC(C)[C@H](SCc1ccccc1)C(=O)NNC(=S)Nc1cccc(Cl)c1	727493575	RTBAYILTGRDDAC-KRWDZBQOSA-N	407.992	4.616	50	20	HJGD	
Cc1nc(-c2ccc([C@H](C)NC(=O)NNc3cccc([N+](=O)[O-])c3C)cc2)cs1	728128834	OFYYOMVRXWQQAK-ZDUSSCGKSA-N	411.487	4.722	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(SCCOC)cc2)cc1	728879780	UZOCKALCFFWWEK-AWZALFRUSA-N	410.539	4.608	50	20	HJGD	
Cc1cc(OC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)ccc1[N+](=O)[O-]	729652329	ZHVGLHHRORSQFO-SFHVURJKSA-N	414.458	4.855	50	20	HJGD	
Cc1cc(NNC(=O)c2cnc(Cc3ccc(F)cc3)s2)ccc1Br	734254919	OZEGQVXHIDBAIP-UHFFFAOYSA-N	420.307	4.701	50	20	HJGD	
CCCCOc1ccc([C@@H](C)NC(=O)NNc2cc(F)c(F)cc2F)cc1OC	734662222	WXNWPLAKXKVVSJ-GFCCVEGCSA-N	411.424	4.679	50	20	HJGD	
Cc1ccc([C@H]2COCCN2C(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)o1	735025113	MMZYVWSXIZJDPC-WCCCRJGXSA-N	409.530	4.560	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3ccccc3F)CC2)c1C	736039539	GQJGBLHNAWKWLV-GFHXCNCHSA-N	423.532	4.765	50	20	HJGD	
CCc1cc(NNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)nc(-c2ccccn2)n1	738531052	SOUWKSDMUUQDIJ-NHCUHLMSSA-N	409.493	4.501	50	20	HJGD	
CCn1c(C(C)=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)nc2ccccc21	741457078	ROBKKQXMYILSKO-KRWDZBQOSA-N	400.482	4.517	50	20	HJGD	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NNC(=O)c1cccc2ccccc12	743630494	UYLWCSHGGMOBHI-CQSZACIVSA-N	415.415	4.906	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1	743821225	ZIINSQJWZJIXFF-ZIAGYGMSSA-N	412.317	4.562	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(CNC(=O)C2CCCC2)cc1	748018254	LUFTWKAOVQOMSR-UHFFFAOYSA-N	406.313	4.557	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2Br)cc(C)c1OC(F)F	748076641	KOUOTVOZRGDOBR-UHFFFAOYSA-N	403.198	4.563	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2ccccc2Cl)c(-c2ccc(F)cc2F)n1	748303173	WCANADITNAAODI-UHFFFAOYSA-N	404.848	4.994	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(OC)c(OC)c1OC	748669777	MJCGWVVFCYKDEJ-UHFFFAOYSA-N	400.500	4.663	50	20	HJGD	
O=C(NN=Cc1nccn1CC(F)(F)F)Nc1c(Cl)cc(Cl)cc1Cl	750936898	FTOYCVSFMVWRRT-UHFFFAOYSA-N	414.602	4.561	50	20	HJGD	
O=C(Cc1ccc(OCc2ccccn2)cc1)NNc1ccc(Cl)cc1Cl	752142086	GBWAMZKYLUXGDS-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ncoc1-c1ccc(C)cc1	753185733	WVXIGCDWKQWZIO-UHFFFAOYSA-N	400.276	4.732	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2c(C(C)C)nn(Cc3ccccc3)c2Cl)cc1	754700227	HRNAXJXGJMGWPW-UHFFFAOYSA-N	423.948	4.579	50	20	HJGD	
O=C(NC1CCC(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CC1)C1CCCC1	757423412	WUMFVAHCHIDNBB-UHFFFAOYSA-N	410.470	4.519	50	20	HJGD	
CCN1CCc2nc3ccccc3c(C(=O)NNc3c(Cl)cccc3Cl)c2C1	763609123	NJBGXOPXQQCLNU-UHFFFAOYSA-N	415.324	4.677	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1C	768174143	HWBPWKOVMZPCQT-ACEGTKJHSA-N	414.431	4.822	50	20	HJGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	768585137	GOLRYIGQYJSJKQ-UHFFFAOYSA-N	423.350	4.748	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2ccc(Br)nc2)c1	772918125	RBJKNRHVFWYKBS-UHFFFAOYSA-N	412.287	4.667	50	20	HJGD	
COC(=O)c1cc2c(/C=C(\C#N)C(=O)c3ccc(Cl)cc3F)ccc(OC)c2o1	773151142	RUZDIRVHGQDQJP-KPKJPENVSA-N	413.788	4.810	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)Cc1nc(-c2ccc(F)cc2)cs1	773465182	AZJLVJGNDUWSDT-UHFFFAOYSA-N	420.307	4.706	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)c1ccccc1OC(F)F	775639833	WQOOJGDXPNOUCB-CXUHLZMHSA-N	413.811	4.976	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)NNc3ccc(C(F)(F)F)cc3)cc2)nn1	775642894	ZANVNOARIDNOTM-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
O=S(=O)(Nc1nnc(C(F)F)s1)c1cccc(S(F)(F)(F)(F)F)c1	777669849	PUTMDEOPZYLQPP-UHFFFAOYSA-N	417.353	4.934	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1ccc(OC(F)F)cc1	778392920	WBSHAIVWBMIKMA-UHFFFAOYSA-N	411.380	4.755	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(C2CC2)nc2ccc(F)cc12	779216681	JDWHNYINNRXSEY-UHFFFAOYSA-N	405.351	4.907	50	20	HJGD	
C=CC[C@H](C(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1	779369398	YRNKSKBJCYSTLR-QHCPKHFHSA-N	420.534	4.631	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(Br)s2)s1	782540785	VWWLRMADWQDONH-UHFFFAOYSA-N	424.301	4.904	50	20	HJGD	
N#C/C(=C\c1cn(Cc2cccnc2)nn1)c1nc(-c2ccc(Cl)cc2)cs1	783702374	XEKWMRDRUKUUQG-LZYBPNLTSA-N	404.886	4.562	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1NC(=O)OC(C)(C)C	785224889	CWOWJHJWKJKVHO-RVDMUPIBSA-N	411.433	4.727	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCCSc3ccccc32)c1C	790157349	SSGXJGBXZGDXMT-IZQLPPHKSA-N	409.555	4.748	50	20	HJGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1	797296694	VKGVDSCBNLWGKZ-VBKFSLOCSA-N	417.303	4.547	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2c(-c3ccccc3Cl)noc2C)c(Cl)c1	802050447	BZJHBLSVCUUHPF-UHFFFAOYSA-N	419.268	4.732	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812246941	XBWXWFQOBRLBKH-UVTDQMKNSA-N	412.371	4.527	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCCC[C@@H]3CCSS3)CC[C@H]21	814150545	DFXYOSFWNFFOHU-BRWVUGGUSA-N	414.637	4.558	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1	901415321	IHXPCJYQUBDLLE-LGMDPLHJSA-N	417.490	4.945	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)cc1	915196670	ONBWJUOBAFJBBY-VJOZSWGJSA-N	408.498	4.665	50	20	HJGD	
CCCCNC(=O)/C(C#N)=C\c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl	915849253	GNTBEVBYRLVLJE-LCYFTJDESA-N	410.827	4.676	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H](c1ccccc1)c1cccc(Cl)c1	916652134	UMLROJVXEXJVQP-NRFANRHFSA-N	418.884	4.555	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)c1ccc(Cl)cc1O	917592172	IWLULXVWQDVJIK-UHFFFAOYSA-N	405.951	4.924	50	20	HJGD	
O=C(NNc1ccc(F)cc1)[C@H](Oc1ccc(Br)cc1)c1ccccc1	918014283	QINZAELKGUQHQM-LJQANCHMSA-N	415.262	4.852	50	20	HJGD	
Cc1cc(C)cc(N(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1	918668953	WNHVPFADLJNYNT-QNGOZBTKSA-N	409.493	4.651	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)cc1	919873561	XTUJSLHPLDDZBM-LTGZKZEYSA-N	404.510	4.679	50	20	HJGD	
O=C(NN=Cc1c(-c2ccccc2)nc2ccccn12)c1ccc(Br)cc1	1317719885	WORNEXYRGCXMLM-UHFFFAOYSA-N	419.282	4.528	50	20	HJGD	
CC(C)[C@H](C#N)C=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	1322871951	KKHDIWDNNDYQPH-HXUWFJFHSA-N	410.477	4.512	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1	1341868874	LCMPJSMFLMODQK-UHFFFAOYSA-N	415.497	4.793	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)CCC1	1785965011	KTMOKRCHNIHZCN-QGZVFWFLSA-N	415.921	4.707	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)c3ccsc3)cc2)CCC1	1787282488	LRMWHCBRASFPAF-CYBMUJFWSA-N	421.360	4.527	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1	1791360738	QYDJBJQUFPCEAJ-CRAIPNDOSA-N	419.363	4.650	50	20	HJGD	
CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@](C)(Cl)CCl)CC1	1830320306	VKVYSSYUEUASQS-NQIIRXRSSA-N	417.421	4.589	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1	213158524	DMHJMDYSSROJSI-LGMDPLHJSA-N	419.868	4.847	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1	725869766	TXKZUEOXMFUQKB-HNNXBMFYSA-N	409.873	4.838	50	20	HJGD	
N#Cc1ccccc1COc1cccc(C=NNC(=O)c2cccc(OC(F)F)c2)c1	731313990	ULGYMRLVOUXGLB-UHFFFAOYSA-N	421.403	4.503	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)c1ccccc1	732001692	UJQLRXFDINAOTI-IBGZPJMESA-N	408.523	4.687	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C#N)C(=O)N(C)c2ccccc2)cs1	732716789	ZQUKHWBOUZJKLZ-AQTBWJFISA-N	416.506	4.706	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1c(Cl)cccc1OC(F)F	732923656	GNZJIHWLRLJZHJ-UHFFFAOYSA-N	405.253	4.837	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1oc2ccccc2c1COc1ccccc1	733812362	VZLNNMGEODHXBW-UHFFFAOYSA-N	410.433	4.712	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cn[nH]c2)c(C)n1-c1cccc2ccccc12	733981422	ROLDKOZPPKHYPB-WSDLNYQXSA-N	409.493	4.536	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c(SC)cc1OC	741165692	QNWTXHNOYVQZKL-QPEQYQDCSA-N	417.556	4.725	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cs1	741471386	YKMSNVKZEXIHKI-YBEGLDIGSA-N	414.494	4.780	50	20	HJGD	
CCO[C@@H]1CC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C12CCCC2	743420672	GDYVBPQHNOCFBI-HSZRJFAPSA-N	414.509	4.752	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c(Cl)c1	745310192	ASMNFQREGHIOII-NRFANRHFSA-N	422.916	4.968	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C)C1CCOCC1	746410991	WCZPDJZXNTUUIC-UAPYWLNTSA-N	405.542	4.631	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2oc(C(C)C)nc2C#N)cc1OCC	746523985	KZCYKBXKVFWLNJ-UHFFFAOYSA-N	420.897	4.658	50	20	HJGD	
N#Cc1cccc(NNC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)c1	748030852	HULZNAQKPFTEQW-FQEVSTJZSA-N	422.282	4.584	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1	748672278	BBUABOQYLUJAFB-UHFFFAOYSA-N	407.539	4.914	50	20	HJGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNc1c(Cl)cc(Cl)cc1Cl	749463795	LUUAYCJKHBKRHG-UHFFFAOYSA-N	400.649	4.889	50	20	HJGD	
CCCCSc1ccc(Cl)cc1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	755516253	OUUKFFBKBJUJCA-UHFFFAOYSA-N	409.895	4.906	50	20	HJGD	
O=C(CCc1ccccc1)NNC(=O)Nc1ccccc1SCc1ccccc1	755531498	DJPBKZMUVBZXSW-UHFFFAOYSA-N	405.523	4.764	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1	758834670	PZDIAZFFMZDCCV-HXUWFJFHSA-N	411.864	4.521	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3c[nH]c4ccc(C#N)cc34)cc12	760225754	LLVRPEIRPHEOSO-UHFFFAOYSA-N	424.489	4.512	50	20	HJGD	
COCc1ccc([C@@H]2CCCN2C(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)o1	767248476	ZMVTXNWQRCRSLR-PZDOZLBDSA-N	409.530	4.771	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1Cl	770806891	KZSSLZDTLVEYDN-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cc1O	773153297	DWUJZIOGDJGWHH-WMZJFQQLSA-N	410.626	4.746	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F	773623226	YIHRRMZADVOJLZ-UHFFFAOYSA-N	410.420	4.792	50	20	HJGD	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)NNc2ncc(Cl)cc2Cl)s1	775611172	XKJWNFZHDDVZAI-LBPRGKRZSA-N	423.329	4.930	50	20	HJGD	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)NNc1ncccn1	775638647	KCCAFQXBIFVFMG-UHFFFAOYSA-N	419.464	4.670	50	20	HJGD	
C[C@H](Oc1cccnc1NC(=O)NNc1ccc(C(F)(F)F)cn1)c1ccccc1	775807578	STFRBFSIBKYNRI-ZDUSSCGKSA-N	417.391	4.784	50	20	HJGD	
CC(C)C(=O)NNC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	782569530	IGDMIUKFOXXQFV-UHFFFAOYSA-N	416.840	4.628	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(F)c(Cl)c2)nn1)c1nc(-c2ccncc2)cs1	782890386	XKBMASXDPWAULB-QPEQYQDCSA-N	408.849	4.642	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1cccc(Cl)n1	783460560	DHCAPCUVFQZCMA-UHFFFAOYSA-N	422.784	4.511	50	20	HJGD	
Cc1ccc(F)cc1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783462865	KBJSOHSTRRFXBP-UHFFFAOYSA-N	419.368	4.910	50	20	HJGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(Br)c1	789130730	QHMCTTJTSBVWEJ-RIYZIHGNSA-N	409.239	4.507	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(NC(=O)NCC)c2C)c1C	790130883	ZETVAMMQSXWDIS-XSFVSMFZSA-N	421.545	4.901	50	20	HJGD	
C=C(CBr)CN[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1	791490466	QQDGWESAZLHIGB-OAHLLOKOSA-N	405.311	4.609	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl	792353473	MYKNZLKODKGGRM-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3ncccc3Cl)s2)cc1	792643459	QUCKUAVDAWGUNP-UHFFFAOYSA-N	402.907	4.577	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	794109949	AIENTBPLMYCQBJ-UHFFFAOYSA-N	411.758	4.611	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)o1	797736134	JJVYQXAVMPHOAO-UHFFFAOYSA-N	422.268	4.748	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	802824095	RFJZQSCOYUZUFM-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1sc(Oc2ccccc2)nc1Cl	915953344	KUEVXYQJXWDOTO-UHFFFAOYSA-N	410.886	4.763	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(Oc3ccc(OC)cc3)CC2)c1C	916483363	RULVNISJOCSHOV-LTGZKZEYSA-N	421.541	4.501	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COc1ccc2c(C)cc(=O)oc2c1	916613385	XIGJBIGXLBWKBU-UHFFFAOYSA-N	422.506	4.817	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C(=O)OC)c2ccccc2Cl)c1C	1317755774	DCGXLVMYSWEVFT-KZFLWGQDSA-N	414.889	4.533	50	20	HJGD	
CCOC(=O)C[C@H]1CCCN1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	1343110896	VHBSUXMMFDLTPI-IAQYHMDHSA-N	424.872	4.855	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(C)(C)c3ccccn3)cc2)CCC1	1791761795	HAHYZYZPGSZTTH-SFHVURJKSA-N	413.949	4.511	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)(C)C)cc1)C2	1793683186	LISDGGPQIIVWSO-DMUMMCEESA-N	420.981	4.523	50	20	HJGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl)c1cnco1	1800010284	PWUIIJGVSSNZQX-REPLKXPHSA-N	423.985	4.676	50	20	HJGD	
CCCc1ccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H](Cl)CCC)C3)CC2)cc1	1806163602	UULPERWQJJYMPW-NRFANRHFSA-N	419.009	4.891	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(C)c2C)n[nH]1	1816613054	VHUGRQFYOWMWPY-RDJZCZTQSA-N	422.982	4.801	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](CC)c2ccccc2)[nH]n1	1820852561	CEDGWDRUIUKAMY-LNLFQRSKSA-N	416.953	4.613	50	20	HJGD	
CC(C)CC(CC(C)C)=NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	6675561	AUMKDQHNDNYOGR-UHFFFAOYSA-N	418.541	4.623	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(-c2cccs2)nc1C	26962060	IRQUIMDHBPHDRT-UHFFFAOYSA-N	410.568	4.621	50	20	HJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	212641131	CZSVWLZUIHJZOW-QDJKKUJYSA-N	403.463	4.713	50	20	HJGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=S)Nc1ccccc1C(C)C	727171393	GQOQYBWTMJEUQX-UHFFFAOYSA-N	424.595	4.797	50	20	HJGD	
CC[C@@H](Cc1ccccc1)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	727810209	PRBPMXOIOGBFID-JFARUEAUSA-N	423.520	4.508	50	20	HJGD	
CC[C@H](C)Oc1cc(C=NNC(=O)c2cc(F)ccc2Br)ccc1OC	728437162	ZPYCWBQORFNAMN-LBPRGKRZSA-N	423.282	4.538	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2csc(-c3cccs3)n2)c1C	728439523	MFQPZUAMROXBFN-MDWZMJQESA-N	411.508	4.783	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)cc1	730843029	VZZMGHACMNHGMH-YADHBBJMSA-N	419.550	4.748	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3ccsc3s2)c1C	735460663	DGAUDLHMNAWJBS-PWDRSIHYSA-N	400.529	4.529	50	20	HJGD	
O=C(NNC(=O)NC1CCCCCCC1)Nc1ccc(Br)cc1Cl	743515851	RCASWHHRYXLJKF-UHFFFAOYSA-N	417.735	4.551	50	20	HJGD	
CCSc1ccc([C@@H](C)NC(=O)NNC(=O)Nc2ccc(C)cc2Cl)cc1	743589265	HEMLQHUWOVLXOA-CYBMUJFWSA-N	406.939	4.857	50	20	HJGD	
C[C@@H]1C[C@@H]1[C@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1	743660744	QVEDBEIWZBXNOD-YXVBFTLGSA-N	415.965	4.584	50	20	HJGD	
CCc1cc(NNC(=O)Nc2ccc(Cl)cc2Cl)nc(-c2ccccn2)n1	743808026	NBXPYDBFDMZROH-UHFFFAOYSA-N	403.273	4.556	50	20	HJGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2sc3ccccc3c2Cl)cc1	744742903	KQWLXGJTFVMOJC-CYBMUJFWSA-N	402.903	4.871	50	20	HJGD	
CCN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc(OC)cc1OC	746143994	OJQVXSHPHZLHQQ-UHFFFAOYSA-N	423.493	4.540	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(Br)c(OC)s2)c1C	746521083	CWNKDXNGJJLGJS-JYRVWZFOSA-N	405.317	4.913	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)cc1	746887085	QJWIGXRJLCQNPH-UHFFFAOYSA-N	421.526	4.815	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2NC(=O)OCc2ccccc2)cc1Cl	753303100	HGVFJCAXFPPWNA-UHFFFAOYSA-N	420.856	4.717	50	20	HJGD	
CCc1nc(C(=O)NNc2c(Cl)cccc2Cl)nn1-c1ccccc1Cl	763610687	MUWYICGJOQBYTO-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
Cc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1NC(=O)c1ccco1	763617893	WRLOFNAZDBEWDM-UHFFFAOYSA-N	404.253	4.904	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(F)cc1C(F)(F)F	771885264	QKMGTUAWQXDVMX-CYBMUJFWSA-N	404.363	4.915	50	20	HJGD	
C[C@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)C1CN(C(=O)OC(C)(C)C)C1	776596325	JRXRAFWEDCRSEO-VIFPVBQESA-N	422.740	4.593	50	20	HJGD	
COc1ccc(NNC(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc23)nc1	781529922	GUKJXJOTVGNJFQ-UHFFFAOYSA-N	408.502	4.624	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c1Cl	782108732	VFTWUPPJIUGVLS-XFXZXTDPSA-N	404.779	4.791	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1	785348440	JEANGCZALGLFCY-LCYFTJDESA-N	400.221	4.694	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	786043556	YBUGFXUTDMFCTP-UNOMPAQXSA-N	403.463	4.585	50	20	HJGD	
Cc1ccc(CN(C)C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)nc1	789616590	ORGFHKVOBNNJSK-UHFFFAOYSA-N	409.380	4.645	50	20	HJGD	
COc1cc(NNC(=O)c2cc(C)nc3cc(Br)ccc23)ccc1Cl	790177898	PVXXFPCCDQYDCY-UHFFFAOYSA-N	420.694	4.725	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	791727086	LWARZKQSYYRMEP-UHFFFAOYSA-N	424.162	4.600	50	20	HJGD	
COc1ccc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1-n1cnnn1	792548147	ZFGRDEJTFAXVCP-UHFFFAOYSA-N	421.351	4.581	50	20	HJGD	
COc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(Cl)c1	797101184	XDIIDRGEVYHIFA-MLPAPPSSSA-N	402.686	4.994	50	20	HJGD	
CC(C)(C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)c1csc(-c2cccs2)n1	800520307	JNDYULZEHFHNSV-UHFFFAOYSA-N	422.919	4.854	50	20	HJGD	
O=C(Cc1cccc2cccnc12)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	802071262	XHFOJYQPINHLHE-UHFFFAOYSA-N	423.687	4.590	50	20	HJGD	
COC(=O)C(C)(C)CCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	806183687	JOEIYPSHFSXGQW-LBPRGKRZSA-N	412.861	4.617	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)O[C@H]2C[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1	809104933	VHCSFINXMVSYQN-NFNQPTDASA-N	422.488	4.860	50	20	HJGD	
Cc1cccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	849205776	QOTQUBXVYKAPOJ-MRUVXERFSA-N	407.514	4.547	50	20	HJGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)Nc1nc2ccccc2nc1Cl	915852443	MYDWGFSKJSCXRQ-XFXZXTDPSA-N	402.763	4.848	50	20	HJGD	
Cc1ccc(C(C)C)c(Oc2ccc(/C=C(/C#N)S(C)(=O)=O)cc2[N+](=O)[O-])c1	916133013	YKKKGUYOMHDVJU-YBEGLDIGSA-N	400.456	4.728	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(Oc3ccccc3)CC2)c1C	1251227478	OEEINZGCQCEQNN-OQKWZONESA-N	405.542	4.882	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)c2ccc(OC)cc2)c1C	1317948871	GUMOXNKIGQQLKB-MKYLKIGJSA-N	408.498	4.635	50	20	HJGD	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNc1cncc(Br)c1	1320284797	DYIWFAJUVJBYBT-WEVVVXLNSA-N	401.091	4.698	50	20	HJGD	
C[C@H](Sc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1786287468	BRCNWGCSJGBAKM-KBXCAEBGSA-N	420.937	4.836	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4[nH]ncc34)CCC2)cc1	1786443166	ANRNXDDNSJAEHY-LJQANCHMSA-N	424.932	4.718	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCBr)cc3)CCC2)cc1	1787674180	RRGOXWHKDASFKB-UHFFFAOYSA-N	415.331	4.528	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1scnc1C1CC1	1791603421	JNUYXVNNGVZNJH-UHFFFAOYSA-N	424.353	4.572	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC)cc2)[nH]n1	1815322172	MFLWUBQUXAGJGY-HKUYNNGSSA-N	416.953	4.686	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)ccc2F)[nH]n1	1815322614	UCIRQELLZZRUDM-CRAIPNDOSA-N	420.916	4.571	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Cl)n[nH]1	1820423248	RDRNUMMLGWWGTR-INIZCTEOSA-N	423.344	4.634	50	20	HJGD	
O=C([C@@H]1CC1(F)F)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124790	GWKNDXAYVDVZLX-KRWDZBQOSA-N	418.956	4.595	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1	7210630	BLLFBLKOVRIFEQ-RCCKNPSSSA-N	411.461	4.770	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	136838322	PHHHPJZTOJQLJR-XMHGGMMESA-N	402.425	4.959	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC(C)(C)CCc2ccccc2)c(C)n1C[C@H]1CCCO1	727344073	WQHMRTXEFPKKTD-VOGGAGISSA-N	419.569	4.719	50	20	HJGD	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727791962	AETXHMYLOKWXKQ-LBPRGKRZSA-N	409.313	4.519	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1C[C@H]1c1cccc(Br)c1	729515470	ZWCMFMHVNLSTJF-HOTGVXAUSA-N	416.706	4.898	50	20	HJGD	
C[C@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)C(C#N)=C1Nc2ccccc2N1	730935740	GZXXUNKNXDOHLV-NSHDSACASA-N	423.885	4.712	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C#N)c1)C(=O)c1ccc2c(c1)OCO2	731317678	CUBAQIGSDFOLTC-UFFVCSGVSA-N	408.413	4.656	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1ccccc1	731932137	ZTGGBQFRHKHEFR-NRFANRHFSA-N	407.901	4.958	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)N(CC(F)(F)F)C1CC1	732714702	CSLROWHQYJWWKH-ZROIWOOFSA-N	422.838	4.603	50	20	HJGD	
O=C(CCN1c2ccccc2Sc2ccccc21)NNc1cnnc2ccccc12	733811079	ZSTGLELIEUCKCR-UHFFFAOYSA-N	413.506	4.766	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)C2CCOCC2)c(C)n1CC(C)C	734350053	MPQDRIYVJSVESZ-AIAVXMCLSA-N	419.569	4.952	50	20	HJGD	
CCc1cc(NNC(=O)C2(c3ccc(Cl)cc3)CCCC2)nc(-c2ccccn2)n1	738530157	CKRFWBFMCQEABF-UHFFFAOYSA-N	421.932	4.710	50	20	HJGD	
O=S(=O)(Nc1c(F)cc(Br)cc1F)c1ccc(CCCCl)cc1	743262007	PHYWYQCJNVDJQW-UHFFFAOYSA-N	424.694	4.700	50	20	HJGD	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1	746704194	WMQYOAJMTPRHIZ-UHFFFAOYSA-N	401.319	4.664	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N2CCC(c3cccc4ccccc34)CC2)cc(C#N)n1C	746860253	SKQKHRFKUNIIGX-HMAPJEAMSA-N	408.505	4.672	50	20	HJGD	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNc1ccc(C(F)(F)F)cc1	747606121	SLLJHEWGOYZXIV-UHFFFAOYSA-N	409.408	4.957	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1cc(Cl)ccc1OC1CCCC1	749535592	WNRSWOJITFNFBT-UHFFFAOYSA-N	410.699	4.576	50	20	HJGD	
COc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1-c1ccccn1	755181245	LCZOWHPUSCKMJP-UHFFFAOYSA-N	405.351	4.672	50	20	HJGD	
CC(C)(C(=O)NNC(=O)Nc1ccccc1COCc1ccccc1)c1ccccc1	755923706	KZKUHCBHXPUTKM-UHFFFAOYSA-N	417.509	4.534	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	756772081	DDLZPYMAFAZIBG-SOUVJXGZSA-N	419.451	4.607	50	20	HJGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNC(=O)c3cccc4ccccc34)c2)n1	757675452	AAEHBYGNPDJYEX-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)c1	758927159	JFOAFUFHFVGPSZ-ZVCOJXFSSA-N	403.438	4.573	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cnccc2-c2ccccc2)c1C	759721539	FBMSIXLVCXQJAE-MNOULKQQSA-N	414.509	4.920	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1oc2ccccc2c1CSC1CCCCC1	760923400	WJUBLDGYJIFUGC-UHFFFAOYSA-N	400.479	4.685	50	20	HJGD	
O=C(CCCNC(=O)c1cccnc1)Nc1cccc(S(F)(F)(F)(F)F)c1	762527686	GGDUWUVWMLBGGD-UHFFFAOYSA-N	409.380	4.888	50	20	HJGD	
COc1ccc(CCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762639193	HGXPOIHNAZFDGL-UHFFFAOYSA-N	424.391	4.650	50	20	HJGD	
O=C(NCc1ccc2c(c1)C(=O)NCC2)Nc1cccc(S(F)(F)(F)(F)F)c1	762976948	ZDCKIMLFFXWXAL-UHFFFAOYSA-N	421.391	4.952	50	20	HJGD	
N#Cc1ccc(NNC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1	775996189	TVXZTVRGRGVBNH-CQSZACIVSA-N	402.298	4.507	50	20	HJGD	
C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778058112	IMGZDNZZUISRCH-GFCCVEGCSA-N	422.485	4.695	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(-c2cccnc2)nc2ccccc12	779201779	WWBGOAQYPKTQIH-UHFFFAOYSA-N	424.382	4.952	50	20	HJGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1	784769971	VFHLRMPUVBTUSJ-UHFFFAOYSA-N	415.371	4.580	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccc2C(F)(F)F)cc1OCCC(C)C	784831431	NHDWODJSUFDJFT-UHFFFAOYSA-N	423.435	4.521	50	20	HJGD	
Cc1cc(C(=O)COC(=O)/C(C#N)=C\c2ccccc2)c(C)n1Cc1cccs1	785364366	NUWHHNWQTDTJHX-UNOMPAQXSA-N	404.491	4.548	50	20	HJGD	
CC(C)(C)[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1	794343230	UOXUSKSSYDMBBT-MNJKBJKMSA-N	415.541	4.655	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1c(Cl)nc2cc(Cl)ccn12	794689710	CSTSTGZFDWGDMH-XFXZXTDPSA-N	401.253	4.585	50	20	HJGD	
COc1ccc(/C=C(\C#N)c2nc(O)c3c(C)c(C)sc3n2)c(Br)c1	794697411	ZPGVFCFDVTXYGY-WUXMJOGZSA-N	416.300	4.849	50	20	HJGD	
C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	805110644	CCLLFWLZNNOVEQ-DOMZBBRYSA-N	420.469	4.591	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cnn(CCC(C)C)c1C(C)C	813047470	VPDOGWCVEHJECV-UHFFFAOYSA-N	413.566	4.566	50	20	HJGD	
Cc1sc2ncnc(SCC(=O)NNc3ccccc3C(F)(F)F)c2c1C	912639345	LMESEORCOCUBGH-UHFFFAOYSA-N	412.462	4.562	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)Nc1nccs1	915851735	SEPCCBKGFBVEKP-LCYFTJDESA-N	410.386	4.528	50	20	HJGD	
O=C(NN=Cc1ccc(F)c(Br)c1)c1ccc(COc2ccccc2)o1	916359888	GHUBKGKADIOPKQ-UHFFFAOYSA-N	417.234	4.524	50	20	HJGD	
N#C/C(=C/c1csc(COc2ccc(Cl)cc2)n1)C(=O)NCc1ccccc1	918713124	KVKHRLBGEJMWJV-YBEGLDIGSA-N	409.898	4.599	50	20	HJGD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1	919760529	PUUZIUXNYHNCSQ-RIWZNOJBSA-N	420.557	4.835	50	20	HJGD	
Cc1noc(C)c1CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	920279678	NVTYLHJKTJTPNM-VCHYOVAHSA-N	408.889	4.576	50	20	HJGD	
CC(C)c1nc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cs1	1318000883	SRHANMKXJNHWAV-UHFFFAOYSA-N	415.522	4.883	50	20	HJGD	
CN1CCN(c2ccc(/C=C(\C#N)C(=O)c3c[nH]c4cc(Cl)ccc34)cc2F)CC1	1323446097	XLDWPKMVXBCWBV-MHWRWJLKSA-N	422.891	4.502	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c(F)c3)cc2)CCC1	1790650383	HSKDIPGNWDWTNA-UHFFFAOYSA-N	418.896	4.544	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1cc(F)ccc1F	1791607314	XYFHYTJFTGCRRN-UHFFFAOYSA-N	413.251	4.516	50	20	HJGD	
Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)oc2ccccc12	1828125726	WKVFVXACROLBSI-YLJYHZDGSA-N	420.912	4.509	50	20	HJGD	
CCOC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1	5716427	PWBOWNATJAUKRI-SXGWCWSVSA-N	405.372	4.763	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1	219922747	BCIFRJVIQLAWJA-FJSNCCPHSA-N	406.482	4.686	50	20	HJGD	
C[C@@H](CN(C)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	727400424	XVLGHVCEXFBPKR-LORYXUCWSA-N	423.520	4.633	50	20	HJGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792898	WLGCOVYFTMJULI-SECBINFHSA-N	403.718	4.589	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	731186744	RWVRMPAOSRSNKE-VQTJNVASSA-N	410.926	4.536	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2nccc3sccc23)cc1	734248707	ZTHQNNIWLJUQME-UHFFFAOYSA-N	403.467	4.697	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CCc2ccc(F)cc2)C2CC2)c1C	735017008	UGHMNYHRAJGMER-GFHXCNCHSA-N	423.532	4.592	50	20	HJGD	
CC(C)(C)c1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)no1	742006895	UPQTZRRMMDPVLU-UHFFFAOYSA-N	407.095	4.798	50	20	HJGD	
COc1ccc(F)cc1[C@H](C)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743540264	PVCKYRWRGFGPPC-HNNXBMFYSA-N	422.460	4.598	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c(C)c1	743820054	MARTZIBDZZMNEZ-JKSUJKDBSA-N	408.354	4.732	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1	746652351	ZDDAXLWRLHHZPA-AQTBWJFISA-N	417.440	4.744	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1C(F)(F)F	746895686	XWZLWXOAOWKQSE-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
N#Cc1ccc(NNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)cc1C(F)(F)F	746897306	UHKNRBYMCQESPN-GJZGRUSLSA-N	424.220	4.586	50	20	HJGD	
N#Cc1cccc(NNC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)c1	748030855	HULZNAQKPFTEQW-HXUWFJFHSA-N	422.282	4.584	50	20	HJGD	
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NNc1ccccc1F	748048969	DZCGDUGNMRCCHC-UHFFFAOYSA-N	404.420	4.503	50	20	HJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3cc(Cl)nc(C)n3)c2c1	748336752	XHSSKEKHLFHPOJ-UHFFFAOYSA-N	403.873	4.719	50	20	HJGD	
O=C(NN=Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1cc2ccccc2o1	749818356	UYRKFUAQZWHDPJ-UHFFFAOYSA-N	421.460	4.504	50	20	HJGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)n1	753455097	OEZKFRZVQSHWPX-UHFFFAOYSA-N	414.705	4.504	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1	759322210	OPCITCHYALZOPH-UHFFFAOYSA-N	413.497	4.523	50	20	HJGD	
COc1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)ccc1F	763416330	PYBZXKJMGQHGSQ-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)[C@@H](Br)C(C)(C)C	767932528	ACYKQEIROKFLDB-QGZVFWFLSA-N	411.315	4.681	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2cccc(NC(=O)OC(C)(C)C)c2)cc1	773109795	JGTRJPJTDIUXKT-LDADJPATSA-N	408.454	4.693	50	20	HJGD	
N#C/C(=C/c1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)c1cc(F)cc(F)c1	773171879	PUAIWYGPSPJMQT-QPEQYQDCSA-N	414.209	4.907	50	20	HJGD	
C[C@@H](c1ccc(NC(=O)NNc2c(Cl)cccc2Cl)cc1)N1CCOCC1	775613824	URBDSFXDZPWADC-ZDUSSCGKSA-N	409.317	4.535	50	20	HJGD	
O=S(=O)(N[C@@H]1COc2ccccc2C1)c1cccc(S(F)(F)(F)(F)F)c1	777879208	FMGUVQZKFCJSED-LBPRGKRZSA-N	415.405	4.626	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cn1)c1ccccc1	779210788	KKWOBODUGYXPQR-AWEZNQCLSA-N	417.387	4.877	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1csc(-c2cccc(OC)c2)n1)c1ccccc1	787140296	FZTFUILRZJQERY-QFTJCQGQSA-N	403.507	4.993	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(F)cc2OCC(F)(F)F)ccc1Cl	788604748	KLNGUFGVQFLBDK-UHFFFAOYSA-N	407.751	4.577	50	20	HJGD	
Cc1cccc(C(=O)NNC(=O)N(CCC(C)C)Cc2ccc(Cl)c(Cl)c2)n1	793226917	OXAVZKXYMZGVCD-UHFFFAOYSA-N	423.344	4.600	50	20	HJGD	
Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)[C@H]2CCCOC2)c1	794880431	UESBDEVXVKBZJR-DHNIJCFSSA-N	411.505	4.810	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCC(F)(F)C3)cc2)cc1	794918945	XEUZYWMXMYTTLE-INIZCTEOSA-N	422.497	4.521	50	20	HJGD	
COCc1cnc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)s1	795598822	DVPKOXGOINJQAV-UHFFFAOYSA-N	410.411	4.748	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(\C#N)c1nc(-c2ccc(C#N)cc2)cs1	797399203	VGAHGPUVHNMRSV-LDADJPATSA-N	409.474	4.940	50	20	HJGD	
O=C(NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cnn(-c2ccccc2)c1	799480738	UBHVCAIZXZLNEG-INIZCTEOSA-N	412.415	4.945	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1	801175605	DBKALUWBPSPITH-UHFFFAOYSA-N	403.198	4.721	50	20	HJGD	
O=C(NNc1cccc(F)n1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1	804772029	YCIDYSKAYUTIKN-UHFFFAOYSA-N	421.863	4.543	50	20	HJGD	
COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)c2ccoc2)cc1	806557950	NIDIXNMJDLMHGO-FYJGNVAPSA-N	409.445	4.990	50	20	HJGD	
COCCCOc1ccc(NC(=O)NNc2ccc(C(C)(C)C)cc2)cc1OC	806623549	QQCYMKQGNFLRCA-UHFFFAOYSA-N	401.507	4.557	50	20	HJGD	
Cc1cc(C)c(NNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c(C)c1	807252093	VGXIAAIFULIDAM-GOSISDBHSA-N	403.324	4.547	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1	812764742	FTIYLFFCMAYLHL-UHFFFAOYSA-N	407.514	4.988	50	20	HJGD	
C[C@H]1C(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)CC[C@H](C(=O)O)C1(C)C	814737148	XXPWFNQSKPNUAO-WMLDXEAASA-N	419.481	4.738	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(-c2ccc(F)cc2)cc1F	816485829	BKGHQZQTDKSAHY-UHFFFAOYSA-N	402.832	4.956	50	20	HJGD	
CCCOc1cccnc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014300	ASTALDUWLRICKA-UHFFFAOYSA-N	407.314	4.665	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(F)cc3)c3cnn(C(C)C)c3n2)cc1	821701833	QQBQWIGPBJRHJH-UHFFFAOYSA-N	403.461	4.884	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)Nc1cccc2ncccc12	853000229	HDFQONAAGJNBMX-CABCVRRESA-N	404.557	4.819	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccn3)c2C)cc1	864489929	SIKUTSUXZMNHNH-ISPGYRLHSA-N	414.509	4.672	50	20	HJGD	
CCC(=O)Nc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)c1	916058467	QDIKJXRTEIXLPD-LELXDKESSA-N	422.529	4.515	50	20	HJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)Nc3nc(-c4ccncc4)cs3)oc12	916129653	RDWHCQUTEBETKJ-GDNBJRDFSA-N	402.435	4.506	50	20	HJGD	
CC(C)c1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1[N+](=O)[O-]	916302445	YBKUMIGXUJHKOS-UHFFFAOYSA-N	414.512	4.570	50	20	HJGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)Cc1nn2c(C3CCCCC3)nnc2s1	916327475	BNNZPCDVNKGFOH-INIZCTEOSA-N	416.595	4.651	50	20	HJGD	
CN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918298742	HNRRZJAHKAVUCJ-OAHLLOKOSA-N	422.881	4.565	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc3ccccc3nc2N2CCCCC2)n1	920398880	ONPPBVMFOSIQGW-AQTBWJFISA-N	418.522	4.922	50	20	HJGD	
C[C@@H](C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1ccccc1	1792313215	KRCWCGIOPGDPOC-CQSZACIVSA-N	405.325	4.728	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2C)CC1	1830640628	YWUQQHDTQCFRST-SFTDATJTSA-N	419.009	4.944	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(NC(C)=O)cc3)n2)cc1	6284464	OZDSQKCMGBVCTN-XDHOZWIPSA-N	416.506	4.877	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2F)cc1Cl	6428231	GGLYBQIAQZRWJE-IZZDOVSWSA-N	409.642	4.796	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1sccc1-c1ccccc1	15756356	ZQNKPAVBIRQMQQ-INIZCTEOSA-N	416.502	4.797	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OC)cc2)o1	98067991	WGVJYQTWXXSLLE-NBVRZTHBSA-N	416.433	4.678	50	20	HJGD	
C[C@H](c1ccccc1)n1cnnc1SCC(=O)/C(C#N)=C1/Nc2ccccc2S1	117464387	CYWLSAXKCLODPF-XSOQZJFOSA-N	419.535	4.502	50	20	HJGD	
COc1cccc(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1O	729552082	BFMABAKIRGTNDU-OAHLLOKOSA-N	420.840	4.942	50	20	HJGD	
CCCCc1ccc([C@@H](NC(=O)NNC(=O)c2cccc3ncccc23)C(C)C)cc1	730112759	HNMGYKQWMUOSFM-QHCPKHFHSA-N	418.541	4.919	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1C	730502023	KKBKSTRXLCHSSQ-LDADJPATSA-N	423.517	4.642	50	20	HJGD	
O=C(CCc1cc(Br)cs1)NNc1ccnc2cc(Cl)ccc12	730585981	WXEZQGVZYMCQBL-UHFFFAOYSA-N	410.724	4.788	50	20	HJGD	
COc1cc(C(=O)NN=Cc2ccc(OC(F)F)c(Cl)c2)ccc1OC(C)C	731486610	QDTGPRSBVILFHN-UHFFFAOYSA-N	412.820	4.501	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1ccc(OC(F)F)c(Cl)c1	731486900	YRJAAPRDDYGCBZ-UHFFFAOYSA-N	402.825	4.713	50	20	HJGD	
C[C@@](O)(CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccccc1	734060287	UGNLTBVNZLTTLK-NVXWUHKLSA-N	418.868	4.935	50	20	HJGD	
CC(C)(C)[S@](=O)CCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	735864013	MXKKIMZYVVBOGM-UOXLDJKESA-N	416.918	4.575	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(c3cn[nH]c3)CC2)c(C)n1C1CCCCC1	736195476	HFGSNOAIPVYSDO-FYJGNVAPSA-N	405.546	4.646	50	20	HJGD	
Cc1cc(NNC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)nc(C)n1	736711776	MBPFUVYPHWDPGN-UHFFFAOYSA-N	417.296	4.736	50	20	HJGD	
O=C(NCc1ccc(F)c(Cl)c1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743580414	YHXABKJILCMBPV-UHFFFAOYSA-N	412.852	4.682	50	20	HJGD	
CC(C)[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1	747988454	FUQBJSSRARCVKU-SFHVURJKSA-N	418.419	4.528	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1ccccc1Br	748069785	IKVABANUQVCCCH-UHFFFAOYSA-N	422.735	4.912	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ccc(Br)cc1F	748184777	NGGILMQFHUUNTQ-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
COc1cc(F)cc(NNC(=O)CCSc2ccnc3cc(Cl)ccc23)c1	748913274	XEMHZNPJPIQNOP-UHFFFAOYSA-N	405.882	4.661	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1	754488038	PQLKZVSHTXCECB-UHFFFAOYSA-N	414.252	4.591	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc(F)c(C(F)(F)F)c1	755619145	GSDUNJOFLDNBSZ-UHFFFAOYSA-N	407.392	4.661	50	20	HJGD	
CCC(CC)(C(=O)NNc1cccc(Br)c1)c1ccc(OC)c(OC)c1	759974833	FAAUBLZXCUGOPL-UHFFFAOYSA-N	421.335	4.667	50	20	HJGD	
CCc1c(C(=O)NNc2c(Cl)cccc2Cl)nnn1-c1cccc(Cl)c1	763610434	IQAMYEKULIPBMH-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)c1C	763925423	RUNLGRFRXLZGLP-RGVLZGJSSA-N	418.497	4.569	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@H](c1cccc(F)c1)c1ccccn1	766295882	SNGILNWYVSTRIR-GOSISDBHSA-N	405.260	4.943	50	20	HJGD	
CC(C)n1nc(C(=O)NN=C2CCC(C)(c3ccccc3)CC2)c2ccccc2c1=O	766688015	RJYCGUGHZZJQPC-UHFFFAOYSA-N	416.525	4.595	50	20	HJGD	
COc1ccc(NNC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c([N+](=O)[O-])c1	768328867	JULVBEDQXNVMFQ-UHFFFAOYSA-N	412.471	4.607	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c3ncc(C)o3)c2C)cc1	770903647	VXEOJLZHVOTLQP-BEWREHSGSA-N	405.454	4.611	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3nccnc3C(C)C)c3c(C)noc3n2)c(C)s1	772832136	WLZLYQSVGVKAAA-UHFFFAOYSA-N	422.514	4.547	50	20	HJGD	
COc1cc(/C(C#N)=C/C2=Cc3cc(Br)ccc3OC2)ccc1[N+](=O)[O-]	774563181	XUJHOCJDIYWVMF-VIZOYTHASA-N	413.227	4.749	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccccc3C)[nH]n2)c1C	775556561	RCMRVCKEGOVSAP-PBGVMVHZSA-N	417.513	4.557	50	20	HJGD	
N#CCc1ccc(OCc2ccccc2NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	776632438	HPUOGLVDJWQPDS-RCCKNPSSSA-N	409.445	4.583	50	20	HJGD	
COc1ccc2nc(NNC(=O)Cc3csc(-c4cccc(F)c4)n3)c(C)cc2c1	778483429	RZIOLJSTTWKRTE-UHFFFAOYSA-N	422.485	4.500	50	20	HJGD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NNc2ccc(C(C)(C)C)cc2)c1C	780578768	YCPPXYVUZMIFKX-UHFFFAOYSA-N	418.563	4.593	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(CC#N)CC2)c(C)n1-c1cccc(Cl)c1	782053459	NHRZOLZEYHCPPX-DEDYPNTBSA-N	406.917	4.807	50	20	HJGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1	782562109	FWBVMTZYNTYCFH-UHFFFAOYSA-N	411.355	4.590	50	20	HJGD	
COc1cc(/C(C#N)=C\c2cn(-c3ccc(Cl)c(Cl)c3)nn2)ccc1[N+](=O)[O-]	783712236	DWJRSUBCKZNGRE-SDQBBNPISA-N	416.224	4.555	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(SC)cc2OC)c1C	785397805	NQKORKSFZWZCAP-ZNBBLSJYSA-N	413.543	4.589	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ccco3)cc2F)c1C	786062633	BEPYOYJRRBGVEY-XDHOZWIPSA-N	407.445	4.696	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Cl)nc3cc(Cl)ccn23)cc1	794691279	NQZSSFSUIBGPCX-FMIVXFBMSA-N	401.253	4.585	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1C	797567566	JYWGLTXVTZLLMY-JYGLJHOQSA-N	424.570	4.850	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1c(F)ccc(Br)c1F	799874303	FZNNGQBBVQMZHK-UHFFFAOYSA-N	403.226	4.573	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(Br)c(OC(F)(F)F)c1	801198377	SHZLHALCVNJAFL-UHFFFAOYSA-N	407.161	4.552	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(Br)c(OC(F)(F)F)c1	801636358	NWNPHOWEPPYWPM-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1Cl	804210926	IPPPEQHJUOXQJX-UHFFFAOYSA-N	406.795	4.881	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CSc2nnnn2C2CCOCC2)cc1	806589777	PTNBAWSDRPYBPW-UHFFFAOYSA-N	420.655	4.839	50	20	HJGD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)s1	808106123	YDFYBJJFXZAUNN-UHFFFAOYSA-N	423.410	4.560	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2ccccc2[N+](=O)[O-])cs1	810021155	OUQDXBQVBUNBLA-UHFFFAOYSA-N	414.462	4.587	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3c(F)cc(C(F)(F)F)cc3F)c(C)cc2c1	810952595	SMGVDLHEKBDSNS-UHFFFAOYSA-N	411.330	4.606	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	817006550	NXBUCOVUZCQLEE-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1C	915628573	FGIYOUVFHUZKMI-BKQORJHRSA-N	401.457	4.901	50	20	HJGD	
O=C(NNc1ccc(F)cc1)c1cccc(OCc2ccccc2Br)c1	916162924	RMSHZJMTYZPQOY-UHFFFAOYSA-N	415.262	4.924	50	20	HJGD	
CCOc1c(Cl)cc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1OC	916359054	HFUFWMSGCFQVCH-UHFFFAOYSA-N	401.677	4.818	50	20	HJGD	
COc1cc(C(=O)NN=C(C)CCc2cccc(F)c2)ccc1OCCC(C)C	920366619	SKGFODGKVMKLAI-UHFFFAOYSA-N	400.494	4.998	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(CCN3CCC(C)CC3)o2)c(C)n1CCC(C)C	1117222347	UTBBLFFNQWONOC-PXLXIMEGSA-N	409.578	4.873	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)c1C	1318941946	QWOIJLGRAASHMA-ZKTNYTPDSA-N	417.962	4.737	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(SC(F)(F)F)cc2)c2ccccc2n1	1320111637	BTDRPRYWEFRDFG-UHFFFAOYSA-N	420.416	4.622	50	20	HJGD	
CCN(Cc1ccccc1)c1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)cc1	1328714058	FMZHUYNWUPNYFD-UHFFFAOYSA-N	403.530	4.558	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@](C)(Cl)CCl)CCC2)cc1	1786447423	VQKHRIZYRIGPHH-YJBOKZPZSA-N	419.780	4.764	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cccc2cnccc12	1788584319	AUECZNKODHEETL-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OC)c3F)CCC2)cc1	1790488405	NYSVJQYEEHUOKB-KRWDZBQOSA-N	418.896	4.599	50	20	HJGD	
Cc1ccccc1C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Br)cc2)CCC1	1791435177	WLLPXDIZMYOERF-OAHLLOKOSA-N	415.331	4.526	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccs2)[nH]n1	1815317639	DIHLVLDIZACJAQ-FKLRVFMWSA-N	420.966	4.584	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2F)CC1	1824618000	LIZRDXDPMRGORQ-AZUAARDMSA-N	422.972	4.775	50	20	HJGD	
CC(C)(C)CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Cl)CC2	1825498314	OMHAISFAVNKNKC-WBMJQRKESA-N	417.978	4.586	50	20	HJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1	28495952	QJIDXOPBNGNEQS-WYMLVPIESA-N	406.825	4.932	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	726865297	XDCVOLBZKKNAEQ-QWHCGFSZSA-N	418.752	4.519	50	20	HJGD	
COc1ccc(-c2nc(C=NNC(=O)c3c(Cl)cccc3Cl)cs2)cc1	727779238	TVERGWZRTCIJSK-UHFFFAOYSA-N	406.294	4.889	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(O)c(C)c1	728225437	SAGUMVSHVDDEOQ-UHFFFAOYSA-N	420.538	4.554	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C2CC(c3ccc(C)cc3)C2)c2ccccc2c1=O	729816589	KKGGXWYXFCJBKQ-UHFFFAOYSA-N	416.525	4.559	50	20	HJGD	
CCOc1c(Br)cc(C=NNC(=O)[C@H](CC)c2ccccc2)cc1OC	731930837	OGUVRBBCKMUGGJ-MRXNPFEDSA-N	419.319	4.500	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12)c1ccccc1	731996616	NFNQKLCXXMVFCO-FQEVSTJZSA-N	424.504	4.560	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1C	733228200	SMMIKQLQHADFJP-JJIBRWJFSA-N	418.585	4.545	50	20	HJGD	
Cc1cc(OC(F)F)c(C(=O)Oc2ccc([N+](=O)[O-])cc2Br)s1	739314638	PADAFHYUWHFNFO-UHFFFAOYSA-N	408.176	4.548	50	20	HJGD	
Cn1c(C(=O)NNc2cccc(C(F)(F)F)c2)cc2cc(C(F)(F)F)ccc21	743298810	FJKVPLZLPABAHU-UHFFFAOYSA-N	401.310	4.973	50	20	HJGD	
CCCn1ccc2ccc(NC(=O)/C(C#N)=C/c3cc(C)n(CCOC)c3C)cc21	743542861	XYIGSEYKIPTWBW-KGENOOAVSA-N	404.514	4.662	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	745844154	OGHPRRMZLPZCKA-HWYOBBEWSA-N	409.493	4.638	50	20	HJGD	
Cc1cc([C@@H](NC(=O)NNc2ccc(Cl)nn2)c2ccccc2Cl)ccc1F	745857181	JDFMHBIBJXVNAX-GOSISDBHSA-N	420.275	4.647	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(-c2ccccc2)n(-c2ccccc2)n1	746707030	QOINBZDTYXGUTA-UHFFFAOYSA-N	408.383	4.714	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccc(Cl)cc2)n1)c1cc2ccccc2o1	749818589	ZIAKWBGNHWUSKC-UHFFFAOYSA-N	411.870	4.886	50	20	HJGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)c[nH]1	753131363	CCKDDWZKMQLHJN-GIJQJNRQSA-N	421.884	4.711	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1CCC(F)(F)F	759094841	NNDMXKGGQTYGET-UHFFFAOYSA-N	410.783	4.642	50	20	HJGD	
CNC(=O)C1CCC(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762973823	GREYNQQKPOZALN-UHFFFAOYSA-N	401.401	4.770	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)C(=O)C3CCCCC3)cs2)cc1	767713062	IUKJZRMYTFQWSG-SFQUDFHCSA-N	409.511	4.893	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2cnc(C3CCCC3)s2)c1Cl	767760992	LYCKLLYMUADDHJ-UHFFFAOYSA-N	418.737	4.502	50	20	HJGD	
CCn1nc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc21	769730388	YVAWHWDUOQTEOG-JLHYYAGUSA-N	406.294	4.701	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)NNc3ccc(F)cc3)ccc21	770026938	QYBXRSXHAKKOBU-UHFFFAOYSA-N	400.454	4.662	50	20	HJGD	
COCCOc1c(Cl)cc(NC(=O)NNc2cccc(Cl)c2)cc1Cl	775706421	IJYSSGFUYSFOAE-UHFFFAOYSA-N	404.681	4.821	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1	777464492	WMSGYOIDEUIFOU-YODDIOPGSA-N	424.426	4.735	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2OC(F)(F)F)cnn1Cc1ccccc1	779206708	ADSWVVHUMNSZHJ-UHFFFAOYSA-N	418.419	4.539	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1	780802000	BGERNPSKGLJITH-UHFFFAOYSA-N	414.509	4.968	50	20	HJGD	
COc1ccc(-c2noc(CCCC(=O)NNc3ccc(C(C)(C)C)cc3)n2)cc1	780809278	QBUWUCZOPWIULH-UHFFFAOYSA-N	408.502	4.509	50	20	HJGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)CCO1	781970531	PGUVWTIRPIHLIA-CMPLNLGQSA-N	409.246	4.506	50	20	HJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccc(OC)cc3)cs2)cc1	787151240	LANIUWJFSAOOHN-BRYHAGSVSA-N	419.506	4.612	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OC)cc1	787153040	ABQXDSQPGVOJPH-AAWHYMEISA-N	405.281	4.795	50	20	HJGD	
Cc1ccnc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)n1	787302390	DCWJKKJWHGRISA-STZFKDTASA-N	407.477	4.891	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F	787490907	WZZOBPDTDFSLMR-JFCPHNPSSA-N	400.400	4.770	50	20	HJGD	
COc1ccccc1-c1nc(C2CCN(/C(=C/C#N)c3ccc(F)cc3)CC2)no1	792332645	DFHLPZIURQNEON-KEBDBYFISA-N	404.445	4.628	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)c1	797949846	GFONFUWNAYLJAL-UHFFFAOYSA-N	410.232	4.861	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNc3ccc(Br)c(F)c3)cc2)cs1	799722830	QWMHWVVXDIRSGY-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(Cl)nc2Cl)c1C	800079187	NNCSSXHCWAHTGJ-QOSBVPTNSA-N	422.312	4.665	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2c(F)cncc2F)c(C)n1-c1ccccc1F	804825618	AVEIZWNQNQWGEV-KDVQLTRESA-N	424.426	4.691	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc(N2CCc3sccc3C2)cc1	806245464	YTUUDIRHVBPTDF-UHFFFAOYSA-N	420.542	4.517	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(F)cc1OC1CCOCC1	806644374	ZLZLNNXAPVOLIO-UHFFFAOYSA-N	413.371	4.551	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1c(F)cc(C(F)(F)F)cc1F	810719861	AZUNTYACDLBXPC-UHFFFAOYSA-N	402.216	4.898	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnn1C1CCCC1	817013219	CDYVFORSFIBDQO-UHFFFAOYSA-N	406.330	4.793	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CSc1ccc(Cl)cc1	916274061	XWKZOHLUWSICIJ-UHFFFAOYSA-N	419.337	4.730	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccccc2OC(C)C)c(C)n1C[C@@H]1CCCO1	918953712	WVEYKIVSXNNOOK-YQZDYSOMSA-N	422.525	4.722	50	20	HJGD	
COc1ccc(C(NC(=O)NNc2ccccc2Cl)c2ccc(OC)cc2)cc1	1317867136	CAPUSFUWCQXCGR-UHFFFAOYSA-N	411.889	4.773	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2nc(-c3ccccc3)oc2C(C)C)cc1C	1326128563	LVROGUCKVJASIN-UHFFFAOYSA-N	407.470	4.707	50	20	HJGD	
CC(C)c1csc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)n1	1787004102	GZCJWEDYWPAAOG-OAHLLOKOSA-N	409.914	4.549	50	20	HJGD	
Cc1ccc([C@H](C)C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)cc1	1791345885	XQJFJVCFOXVPIW-HNAYVOBHSA-N	402.897	4.767	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1ccc2occc2c1	1791604314	NPNLROBVMSGFDV-UHFFFAOYSA-N	417.292	4.984	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)C1	1806162690	SGEJSZPBGOUHER-TZIWHRDSSA-N	419.009	4.819	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)cccc2Cl)n[nH]1	1821144657	OIIPJIXQISFSHZ-CZUORRHYSA-N	423.344	4.695	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccc(F)cc2)c(C)n1C[C@@H]1CCCO1	26872239	YAVACMWSFURENI-IIBSGFPJSA-N	409.505	4.550	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(F)cc1	205639773	MVOUBBTYNWOZQZ-UYRXBGFRSA-N	408.473	4.769	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC3(CCCCC3)CC2)c(C)n1C[C@H]1CCCO1	726514755	NMQFKQAECRSJMY-YTMAHBJJSA-N	409.574	4.764	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-n3cccc3)c2)c1C	726934112	DIEWUICQCAVJCE-PKIWBCANSA-N	402.498	4.649	50	20	HJGD	
CCSc1ccc([C@H](C)NC(=O)NNC(=O)Cc2ccc3ccccc3c2)cc1	728959138	GFGOZFRPNMJOPH-INIZCTEOSA-N	407.539	4.586	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)NCc1ccc(Cl)cc1	729307144	JKDJZYVOYYXKSY-CJNGLKHVSA-N	401.981	4.602	50	20	HJGD	
CCCN(CC)C(=O)c1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	729514996	SSTPZJKJUMBWFT-UHFFFAOYSA-N	410.905	4.517	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(-c2noc(C(F)(F)F)n2)cc1	730466605	OXIYJFQXAXNALY-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCC(OC(C)C)CC3)c2C)cc1	730509181	PSYHMVFQLMGSNI-PXLXIMEGSA-N	405.542	4.726	50	20	HJGD	
CC[C@@H](CC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccccc1	734257302	PIXWXBZOHYSORF-AWEZNQCLSA-N	415.419	4.584	50	20	HJGD	
CCc1ccc(CCOC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1	734289940	QGLVYQWLWXAKRY-HAVVHWLPSA-N	424.504	4.719	50	20	HJGD	
Cc1nn(Cc2ccccc2)c2sc(C(=O)NNc3cc(F)c(F)cc3F)cc12	734553077	BAZLNOKIXPBOIH-UHFFFAOYSA-N	416.428	4.629	50	20	HJGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNc1cccc(C(F)(F)F)n1	740142344	NWCOWUXKWHLGET-UHFFFAOYSA-N	413.399	4.874	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2cnccn2)cc1)C(=O)c1ccc(Br)s1	743056266	SUZNKYDKDFSIFD-LCYFTJDESA-N	412.268	4.883	50	20	HJGD	
CC(C)(CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccc(F)c1	743619044	MGUBZOVPQQRXNX-UHFFFAOYSA-N	420.488	4.806	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(Oc2cccc(Cl)c2Cl)nc1	748005201	RHFHMSRPTGHDPB-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
N#Cc1ccccc1COc1ccc(C(=O)NNc2ccccc2Br)cc1	748069679	FJNDQLDIHGCBNS-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1cc2c(s1)-c1ccccc1OC2	748185323	SKKALLACHQHOPA-UHFFFAOYSA-N	419.275	4.966	50	20	HJGD	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NNc3cc(F)c(F)cc3F)c12	748795740	NNUXBVAGVLFCOR-UHFFFAOYSA-N	416.334	4.512	50	20	HJGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)[C@@H](C)Oc1ccc(Cl)cc1Cl	749858880	LLGXLYNTLRQOGP-SECBINFHSA-N	419.106	4.657	50	20	HJGD	
CCOc1cc(CN(C)/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F	750036067	JVAANCVAFWWIOP-YVLHZVERSA-N	403.385	4.591	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)cc1	756154009	QOTCVGOXQNGSBL-UHFFFAOYSA-N	400.548	4.570	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3nc(C)co3)c2)c1C	758878597	SULDMQLATVXBSJ-SOFYTKRASA-N	418.497	4.821	50	20	HJGD	
N#C/C(=C\c1cc(F)ccc1Br)C(=O)Nc1ccccc1Br	761176304	MHYXEWRCSQHTPC-YRNVUSSQSA-N	424.067	4.896	50	20	HJGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1ccc(OC(F)(F)F)cc1	761591549	RKTMXVPNFIAJCI-UHFFFAOYSA-N	405.376	4.706	50	20	HJGD	
Nc1c(Cl)cc(C(=O)NNc2ccc(Br)cc2Cl)cc1Cl	764150711	WNTIYTIJENSDJO-UHFFFAOYSA-N	409.498	4.748	50	20	HJGD	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NNc2c(F)cccc2Cl)cc1C	770197924	RRQSDXYDJTXRJF-UHFFFAOYSA-N	411.868	4.630	50	20	HJGD	
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NNc2ccc3ccccc3n2)C1	775480731	FDEKRLOLPFDXKC-IRXDYDNUSA-N	417.513	4.502	50	20	HJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1	777915336	UFMNOUXXUAIDFZ-PDGQHHTCSA-N	403.887	4.634	50	20	HJGD	
COc1ccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1O	782982035	UKHHFMJTTDFHGQ-UHFFFAOYSA-N	419.393	4.537	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c1	783362512	WYOQROPIEAZEOE-GOSISDBHSA-N	403.482	4.525	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNc2ccc(OC)c(Cl)c2)c(C)c1	785117769	UVCIMJRSMOMISB-ZDUSSCGKSA-N	421.950	4.629	50	20	HJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1OC	787152194	WHBHSBSYADCZLK-HDAKKWKLSA-N	408.498	4.667	50	20	HJGD	
Cc1ccc(CN(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)nc1	788927038	VODCJYBATZLGOP-UHFFFAOYSA-N	402.410	4.868	50	20	HJGD	
CC(C)N(C)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)cn1	790225453	OOARVWZDSHOKJQ-ZSOIEALJSA-N	401.264	4.661	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCOC3(CCOCC3)CC2)cc1	792877145	IQZBCEXSGBSFEG-UHFFFAOYSA-N	405.655	4.980	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCC[C@H]4C[C@@H]34)s2)cc1	800814112	IHSDYACDHQEZJQ-LSDHHAIUSA-N	418.613	4.523	50	20	HJGD	
O=C(NNC(=O)c1cc2ccsc2[nH]1)Nc1c(Cl)cc(Cl)cc1Cl	802068481	DSNKRJOIUHYKBQ-UHFFFAOYSA-N	403.678	4.656	50	20	HJGD	
O=C(NNc1ncccc1F)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1	806375288	WGUDYUOUDOSDGL-UHFFFAOYSA-N	413.158	4.617	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1	811627425	AYVXLOPHVAIEOD-NGPAHMQLSA-N	420.252	4.695	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1ccccc1OCc1ccc(F)cc1	857513816	IJULXAGZHIJTEG-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1C	914486340	SAJLFNURDHYSKQ-MOSHPQCFSA-N	411.933	4.503	50	20	HJGD	
CC(C)S(=O)(=O)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	915800662	AIVWDJKTQWHMHT-UHFFFAOYSA-N	421.733	4.586	50	20	HJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)C3CC3)c(OC)c2)cc1	915844766	IOVFVZNEKMCFMO-ZHZULCJRSA-N	418.493	4.899	50	20	HJGD	
Cc1ccc(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)s1	916287209	BAYSVTJEJJICIM-UHFFFAOYSA-N	406.536	4.989	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c1C	917719693	LXBIBABOUYLQIE-GZTJUZNOSA-N	424.932	4.606	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NC1CCN(Cc2ccc(F)c(F)c2)CC1	918345132	PQTOHMLCRCVMCJ-QGZVFWFLSA-N	414.587	4.760	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1	918569378	HQHGBMSOFIVCMK-UYRXBGFRSA-N	417.440	4.635	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3nccn3C(F)F)c2C)c1	919707578	XORHYJSITCGNBP-UNOMPAQXSA-N	423.467	4.560	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)CCC1	1789276001	WKYOBRCBJPTGMF-GOSISDBHSA-N	424.932	4.718	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)[nH]n1	1820850695	ABKKEVYLBLJCAB-OHKBXWSGSA-N	420.966	4.584	50	20	HJGD	
Cc1ccc(C)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)c1	1823140874	HOVZJJAREOXLSY-SFHVURJKSA-N	416.953	4.597	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cscc2C)CC1	1824613174	HHVYGGWSPKTPJK-RTBURBONSA-N	411.011	4.697	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	6181473	LKQXKLCEXFZQPD-CPNJWEJPSA-N	402.425	4.959	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)c1C	10403010	ZSPZGHCHVHUTJA-MBTVCVBTSA-N	420.538	4.982	50	20	HJGD	
O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1c(Cl)cccc1Cl	727781393	MCVRUPMCGPTEQX-UHFFFAOYSA-N	404.209	4.926	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)cc1C	730595869	HBMKAIYITAQECO-CYBMUJFWSA-N	410.370	4.807	50	20	HJGD	
Cc1ccccc1[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)C1CC1	732744614	DUSHMVVAPROUBP-RMADMUJBSA-N	417.553	4.767	50	20	HJGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1c(Cl)cccc1OC(F)F	732924274	VTJFDXUTHKCBJD-UHFFFAOYSA-N	404.800	4.624	50	20	HJGD	
N#C/C(=C\c1ccccc1OCC(=O)NCC1CC1)c1nc(-c2ccccc2)cs1	734832018	BNHTYWYGCCAPBD-UDWIEESQSA-N	415.518	4.779	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC(=O)c1cccc2ccccc12	741462490	GOABZFVFWWHSGG-UHFFFAOYSA-N	404.420	4.684	50	20	HJGD	
CC(C)c1nc(CCNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cs1	743581349	UMGRUAYHATZTGQ-UHFFFAOYSA-N	423.542	4.512	50	20	HJGD	
O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)NNc1ccc(F)cc1	745871588	PRPXGKMAOSULCE-UHFFFAOYSA-N	420.366	4.858	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1C	746359810	LPEKPXKEWXKYHH-SXGWCWSVSA-N	424.492	4.946	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2cc(Br)sc2Br)c1	748362526	NBDDMWOZXJYPRT-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
Cc1c(NNC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)cccc1[N+](=O)[O-]	748666990	UFMBKNXIPYGMJG-UHFFFAOYSA-N	414.421	4.982	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)Oc3ccc([N+](=O)[O-])cc3OC)s2)cc1	751169690	KGMGAWFEZXJHIA-UHFFFAOYSA-N	414.439	4.653	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(F)cccc2Br)c1C	752491394	KLDJZLSRDOBQII-XNTDXEJSSA-N	404.283	4.962	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1csc(-c2cccc([N+](=O)[O-])c2)n1	752812292	FURVMHOCAINQCB-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1nc(C(F)(F)F)cs1	755854754	KSCSHRGETNTQNL-UHFFFAOYSA-N	418.853	4.625	50	20	HJGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1	756297918	OBDAQTIDEUMCIP-UHFFFAOYSA-N	403.813	4.596	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1ccccc1OC(C)(C)C	756583921	CNHKNTIKCNIKTI-UHFFFAOYSA-N	424.526	4.762	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)c1	759326510	QXOHOUDEFQILHN-UHFFFAOYSA-N	411.380	4.734	50	20	HJGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN=Cc1ccc(F)c(C#N)c1Cl	761768897	HKJNOJQHHOYXTO-LBPRGKRZSA-N	408.260	4.539	50	20	HJGD	
O=C(O)Cc1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	762444965	SAUMLCLKLRDVHO-UHFFFAOYSA-N	417.377	4.772	50	20	HJGD	
Cc1nc(-c2ccc([C@H](C)NC(=O)NNc3ncnc4ccsc34)cc2)cs1	765643139	MJVCELYKSYFMLO-NSHDSACASA-N	410.528	4.511	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1Cl	766261958	OOQANKICZMXCKG-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
N#Cc1ccc(N2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)c(Cl)c1	768058635	KFMREOCZGYKXJY-INIZCTEOSA-N	410.008	4.574	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)cccc1[N+](=O)[O-]	768090645	PHBMLLHKWDQLQC-UHFFFAOYSA-N	421.844	4.652	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1csc(-c2cccc(C(F)(F)F)c2)n1	774782905	DYILGYXBKDICIO-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1cc(Cl)ccn1	778448001	YCAUMLXFYBCVTL-NSHDSACASA-N	423.325	4.808	50	20	HJGD	
COc1cc(C)ccc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	780638656	ACLGSTRDCKPTMM-UHFFFAOYSA-N	403.198	4.542	50	20	HJGD	
O=C(NNc1ccccc1Br)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	780948860	VGLVESWLMVFUAR-UHFFFAOYSA-N	417.200	4.782	50	20	HJGD	
C[S@](=O)c1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782913776	TWGNETJEIYIPJB-QHCPKHFHSA-N	421.434	4.882	50	20	HJGD	
O=S(=O)(NC[C@@H](O)C1CCCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	782981458	PQDIQNNXNCHDOI-CQSZACIVSA-N	409.442	4.564	50	20	HJGD	
Cc1ccc(CC(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	783468470	CHXVNECFHHZMQF-UHFFFAOYSA-N	415.405	4.700	50	20	HJGD	
C[C@H](CNc1ccccc1)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	784770401	NFSFHCWIINCFLT-GFCCVEGCSA-N	423.407	4.899	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21	787528903	FWMDCNOTHVZBKU-APEZIOSESA-N	419.481	4.756	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3cc(F)c(F)c(F)c3)ccc2n1Cc1ccsc1	788513228	PCVUUPCXEIBALH-UHFFFAOYSA-N	416.428	4.629	50	20	HJGD	
CN1CCC2(CCN(Cc3ccc(CO[Si](C)(C)C(C)(C)C)cc3)CC2)C1=O	792881335	LPQJIIIWVLTFRS-UHFFFAOYSA-N	402.655	4.653	50	20	HJGD	
COc1cccc(-c2nc(C=NNC(=O)COc3ccc4ccccc4c3)cs2)c1	794773939	ZDRSVZRDCCKJHH-UHFFFAOYSA-N	417.490	4.501	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(F)cc1F)c1csc(-c2c(F)cccc2F)n1	815853091	VMAFJQKMWRMQAM-UHFFFAOYSA-N	409.408	4.787	50	20	HJGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(-c3ccccc3Cl)s2)n1	873937176	IBNOCGARPVHPBQ-UHFFFAOYSA-N	416.959	4.718	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C(/C#N)C(=O)N1CCCC1	915847891	WFNJAXMQLKISND-ZSOIEALJSA-N	423.731	4.729	50	20	HJGD	
CCC[C@H](C)NC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	915886783	FBJFNTSEUAYXLK-AWEZNQCLSA-N	405.951	4.765	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(CSC(F)F)o1	916349012	ISLQVWLXMUSPMI-UHFFFAOYSA-N	407.467	4.931	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2csc(Nc3ccccc3C)n2)cc1	916602018	ONAYWDODOVZFAA-GZTJUZNOSA-N	405.479	4.854	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2F)c1	920064473	CBUPBHQAUAXLHI-UYRXBGFRSA-N	402.425	4.959	50	20	HJGD	
Cc1ccc(NNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1Cl	1317923677	IOQFYQYYHSEJQY-UHFFFAOYSA-N	403.313	4.790	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1	1785799546	DPVZLAYVQCUTPH-AWEZNQCLSA-N	412.908	4.821	50	20	HJGD	
CCc1ncsc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1	1786012584	NMULEUBISSFEEH-UHFFFAOYSA-N	419.978	4.718	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cncc3F)CCC2)cc1	1786444264	FYJYFVKKJKKAQF-HNNXBMFYSA-N	421.875	4.515	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(F)c3F)CCC2)cc1	1790488617	ZLYVXPYZCJSAFT-MRXNPFEDSA-N	424.850	4.869	50	20	HJGD	
O=C(NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2ccccc2n1	24515160	OQJLYFGYXDWHPX-XMMPIXPASA-N	420.472	4.575	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1cccs1	28941410	PFDHFCWEMOTGBH-FOWTUZBSSA-N	404.447	4.522	50	20	HJGD	
N#C/C(=C/c1ccccc1OCc1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1	206952676	DVBOVADBXONLSX-YVLHZVERSA-N	407.832	4.999	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3c(s2)CCCCC3)c1C	207136358	JKJTZIBYUWJJRY-LZNAANCOSA-N	412.559	4.583	50	20	HJGD	
CC(C)(C(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1cccc(Cl)c1	303790240	QDAFPHYBXYTEQD-UHFFFAOYSA-N	422.912	4.511	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc2ccccc12	727939166	GDHGZRRNZYDOAO-LBPRGKRZSA-N	402.281	4.852	50	20	HJGD	
O=C(Cn1ccc2ccccc21)NN=Cc1sc(Nc2ccccc2)nc1Cl	729638560	RKGLKMOZHGQJNH-UHFFFAOYSA-N	409.902	4.645	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@H](CCc1ccccc1)c1ccccc1	730119082	GOZOGHMUFCKUBR-HSZRJFAPSA-N	424.504	4.553	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC3(CCCCC3)C2)c(C)n1C[C@H]1CCCO1	732174773	FSBDUGFKEQPTNX-VKIDYWOHSA-N	409.574	4.764	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)ccc1OCc1ccccc1	732716632	WUSFJHLMDGIHSO-QNGOZBTKSA-N	404.510	4.972	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	734668617	GBGLSPVBQIONMI-HXUWFJFHSA-N	401.388	4.528	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c2nccs2)c1C	734803424	CHTGFBGTCVANLP-CPNJWEJPSA-N	404.539	4.818	50	20	HJGD	
Cc1ccc([C@@H]2COCCN2C(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)o1	735025111	MMZYVWSXIZJDPC-JFLYLQGUSA-N	409.530	4.560	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)c3nc4cccc(C)c4[nH]3)cs2)cc1	735618883	GTOGFLIVHMYLRC-XNTDXEJSSA-N	402.479	4.980	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccccc1Sc1ccccc1	742039681	LKLDXKHNJZQKBB-UHFFFAOYSA-N	412.898	4.575	50	20	HJGD	
O=C(CC(F)(F)F)NNC(=O)c1oc2ccccc2c1CSc1cccs1	742814916	SUJFPWSKBYINFN-UHFFFAOYSA-N	414.430	4.500	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c3cccnc3)c2C)cc1	743723421	UIUAFXGUNSIWFZ-GFHXCNCHSA-N	414.509	4.624	50	20	HJGD	
O=C(NCc1ccccc1COCc1ccccc1)NNc1cc(F)c(F)c(F)c1	746750902	XQJHKGLXMSTVKC-UHFFFAOYSA-N	415.415	4.647	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)ccc1OCCC(C)C	746896397	MRROHATTXJFZMU-UHFFFAOYSA-N	421.419	4.767	50	20	HJGD	
CC(C)(C)Cc1nc(-c2ccc(C(=O)NNc3ccc(OC(F)F)cc3)cc2)no1	748649473	XXDPURFEMXOELX-UHFFFAOYSA-N	416.428	4.684	50	20	HJGD	
CN(C(=O)CCCC[C@H]1CCSS1)C1CCC(NC(=O)OC(C)(C)C)CC1	749441538	FXWKCUMZYFICKZ-JCYILVPMSA-N	416.653	4.995	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCO[C@@H]([C@@H]2CCCO2)C1	752979163	SAKKLYILHVUUIL-UONOGXRCSA-N	402.385	4.756	50	20	HJGD	
Cc1cccc(C(=O)NNc2ccc(C#N)c(Cl)c2)c1NC(=O)c1ccccc1F	753315948	LHLZICGYIDFPCU-UHFFFAOYSA-N	422.847	4.668	50	20	HJGD	
CCn1nccc1C=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	753691841	BTKRQGXVUIWBLA-UHFFFAOYSA-N	403.873	4.536	50	20	HJGD	
O=C(NN=Cc1cnc([C@H]2CCCO2)s1)c1cc(-c2ccco2)nc2ccccc12	755535320	XWDKDBVACXAXNB-HXUWFJFHSA-N	418.478	4.567	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	758715825	SFGCOMBMQDRTLV-CJNGLKHVSA-N	416.255	4.818	50	20	HJGD	
N#C/C(=C\c1cc(F)ccc1Br)S(=O)(=O)c1ccc(Cl)cc1	761202698	VSHLPHARXNPHLW-RIYZIHGNSA-N	400.656	4.580	50	20	HJGD	
O=C(NCc1ccn2ccnc2c1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	762210110	NEUNIWJJUBQANE-OAHLLOKOSA-N	414.840	4.875	50	20	HJGD	
N#C/C(=C/c1ccc(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1Br	765612362	AIORKXIGHGDTGR-YHYXMXQVSA-N	424.048	4.890	50	20	HJGD	
COc1cc(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccncc2)ccc1[N+](=O)[O-]	766779154	NWFNYJCMJPACRH-UYRXBGFRSA-N	423.432	4.915	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(F)cc1C(F)(F)F	768160100	BQXRSKPWSVYDGV-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)c([N+](=O)[O-])c1	768338850	NHDXVLKLRDXNHG-UHFFFAOYSA-N	401.419	4.536	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2ccc(Br)cc2Cl)c1C1CC1	768398628	SISXLOUXEVMRQR-UHFFFAOYSA-N	411.731	4.589	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1nnc(C(F)(F)F)s1	769932076	PJYQEYBMRNQJIG-UHFFFAOYSA-N	406.604	4.666	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12	771688418	ISWRMQDBUKTAOL-UHFFFAOYSA-N	402.425	4.973	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNc1nccnc1C(C)C	772893373	OPZRRDBEOCWPBU-UHFFFAOYSA-N	421.448	4.808	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)cc(Br)c1O	776256965	ICPQSPVXFPJZFU-WUXMJOGZSA-N	424.197	4.555	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(Br)c1OC(F)F	776725387	LGVDYFZOYQBGEY-UKTHLTGXSA-N	407.214	4.905	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1	777483021	ZUQJATGRNHLRNP-UHFFFAOYSA-N	415.497	4.939	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H]2C2CCOCC2)c(C)n1C1CCCCC1	777533518	LWZKBKVONWANJL-KZVLXBEFSA-N	409.574	4.935	50	20	HJGD	
COc1ccc(O)c(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782915776	PHSKHGJMHILJOC-UHFFFAOYSA-N	405.366	4.859	50	20	HJGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NNc1nccc2sccc12	783439431	KTVJWUOBKUBAOO-UHFFFAOYSA-N	414.556	4.577	50	20	HJGD	
O=C(/C=C/c1ccccc1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783463371	SCFKYDBHNQDOHC-IZZDOVSWSA-N	413.389	4.862	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNc2ccc(OC)c(Cl)c2)c(C)c1	785117762	UVCIMJRSMOMISB-CYBMUJFWSA-N	421.950	4.629	50	20	HJGD	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)/C(C#N)=C\c1ccc(O)cc1	787290746	RRKZMQOWBJFLEY-PGMHBOJBSA-N	415.493	4.826	50	20	HJGD	
CSc1cc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)c(Cl)cc1Cl	788254547	NUVAMQSMGVJTQE-UHFFFAOYSA-N	413.330	4.566	50	20	HJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2F)o1)C(=O)Nc1ccc2c(c1)OCCO2	790098365	ADHYPTPKIHTNPJ-JLHYYAGUSA-N	408.360	4.542	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCCSc3ccccc32)c1C	790157354	SSGXJGBXZGDXMT-VJOZSWGJSA-N	409.555	4.748	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc1	794040141	CPRHGIDNYRHKQF-SILNSSARSA-N	414.509	4.514	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)C1(c2cncc(Br)c2)CC1	798469086	QWEXQDXZIYXANT-UHFFFAOYSA-N	413.227	4.543	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1	805382226	AYIILOMCMFVSIG-UHFFFAOYSA-N	409.829	4.545	50	20	HJGD	
CSc1ccc(-c2nsc(NC(=O)NNc3nc4ccccc4s3)n2)cc1	809927132	AOOQQGJEAJQOPU-UHFFFAOYSA-N	414.541	4.685	50	20	HJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F	811626167	COBFZLWHVOEBKW-VZUCSPMQSA-N	400.278	4.975	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3oc(C(C)C)nc3c2)c1C	914769877	NRDFKTPTCNODNC-WQRHYEAKSA-N	406.486	4.562	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2	915188301	ZNPRYSRTNMUWEN-ICFOKQHNSA-N	415.493	4.891	50	20	HJGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	915856677	TZKQHMIMYIHXAN-DHZHZOJOSA-N	420.321	4.578	50	20	HJGD	
COc1cc(C=NNC(=O)CC(C)C)cc(Br)c1OCc1ccccc1	916342989	WUORQMPNHTUWPI-UHFFFAOYSA-N	419.319	4.533	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1OC	916496843	UOURIKSRBIYSKC-QGZVFWFLSA-N	415.559	4.511	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCc3cnn(C(C)C)c32)c(C)n1CC(C)C	1320243987	JNWAEEJXOYDKJR-IMURNMJZSA-N	407.562	4.639	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3ccc(Cl)cc3F)o2)c1C	1322642830	RQGMSHTTWQMFRP-OQLLNIDSSA-N	400.841	4.658	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)nn1	1328713924	APLDEJHOPKHRCV-UHFFFAOYSA-N	424.932	4.692	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4[nH]ccc4s3)cc2)CCC1	1789102415	GTEFYRKLYLTHJD-HNNXBMFYSA-N	415.946	4.995	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)cc3F)CCC2)cc1	1790489826	MGYFVPHZIPCCLH-HNNXBMFYSA-N	424.850	4.869	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1ccc2cc[nH]c2c1	1791604337	PYOSYWOHKSWEII-UHFFFAOYSA-N	416.308	4.719	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	17398258	HXXFYUIQYWCLBA-UHFFFAOYSA-N	415.540	4.758	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)C(=O)Nc3ccccc3C)cs2)cc1	63275813	HVNYNTFCCITNLX-WJDWOHSUSA-N	405.479	4.585	50	20	HJGD	
COc1ccc(CN2CCC(CNC(=O)CCCC[C@@H]3CCSS3)CC2)cc1	109373141	IWNIXOSYKAEWBM-OAQYLSRUSA-N	422.660	4.738	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cccc(OCc2cccs2)c1	195551006	SOJBMARIIRYTNU-UHFFFAOYSA-N	403.301	4.847	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc([C@@H](C)O)cc2)c(C)n1-c1ccc(F)cc1	726193153	JWKWMUWLZLGCRC-MNOULKQQSA-N	417.484	4.510	50	20	HJGD	
CC(C)Cc1ccc([C@@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C2CC2)cc1	726268985	KDXKPLHHYZDJKW-HSZRJFAPSA-N	416.525	4.529	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	727785060	BHFWKTHJGZZMOC-QZTJIDSGSA-N	413.304	4.640	50	20	HJGD	
O=C(NC[C@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1)Nc1ccccc1	728694395	VOBBPYWWXGKLMA-RTBURBONSA-N	421.632	4.903	50	20	HJGD	
CC(C)Oc1ncc(C(=O)NNc2ccc(Br)cc2Cl)cc1Cl	729276501	FRQAVTWARYWXAM-UHFFFAOYSA-N	419.106	4.695	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(C(=O)NNc2ccccc2C(F)(F)F)ccc1F	730445808	FXGZYMUANPUUKA-UHFFFAOYSA-N	413.371	4.948	50	20	HJGD	
CC(=O)c1cccc(NC(=O)NNc2ccc(Br)cc2C(F)(F)F)c1	731487533	LJDKDHBJFOHKGN-UHFFFAOYSA-N	416.197	4.819	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2(c3ccccc3)CCOCC2)c(C)n1CCC(C)C	732743532	DWWBYFVLWPJGQQ-QJOMJCCJSA-N	419.569	4.880	50	20	HJGD	
O=C(NNc1ncccc1Cl)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	734245929	XFXAMRDSOGBOMO-KRWDZBQOSA-N	405.857	4.990	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c1C	734354508	FJFLPVCGPWIAPV-FYFVZTBZSA-N	405.542	4.624	50	20	HJGD	
O=C(CCCCC(=O)NN=C1CCC[C@@H](C2CC2)C1)NN=C1CCC[C@@H](C2CC2)C1	737418199	RKCWLNMKUGXAAR-WOJBJXKFSA-N	414.594	4.692	50	20	HJGD	
CN(Cc1c(Cl)cccc1Cl)C(=O)NNC(=O)c1cccc2ccccc12	743627553	GCXXUCZHZNADQN-UHFFFAOYSA-N	402.281	4.633	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c(C)c1	743764886	TZKTZJWFFYETTA-UHFFFAOYSA-N	414.509	4.904	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3oc(COC)nc3c2)c1C	751052193	SXLHQKUTCZHONJ-WOJGMQOQSA-N	406.486	4.738	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c(Cl)c1	751281980	XIHUUPNGVALTFS-AQTBWJFISA-N	415.884	4.971	50	20	HJGD	
CC(C)(CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C1CCCC1	753687533	MLGGJYMGHUHAOE-HKWRFOASSA-N	415.541	4.703	50	20	HJGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1	756845797	SLJQVYQDTMCOGM-UHFFFAOYSA-N	403.813	4.596	50	20	HJGD	
Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3ccc(CCCCl)cc3)c2)n1	759677989	GGRZEPSHXYKKLV-UHFFFAOYSA-N	404.919	4.931	50	20	HJGD	
O=C(CCc1nc(C2CCCC2)no1)NNc1c(Cl)cc(Cl)cc1Cl	761784424	DFXYKBINRYYFHH-UHFFFAOYSA-N	403.697	4.763	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1	764377917	XAKBKFKUNZOIIG-GFCCVEGCSA-N	417.332	4.960	50	20	HJGD	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1OC	764888198	UDPXPDIQHBEZLN-SXGWCWSVSA-N	400.272	4.955	50	20	HJGD	
N#Cc1ccc(OCc2cccc(C(=O)NNc3ncc(Cl)cc3Cl)c2)cc1	775275281	FZDARHSAJPCXMH-UHFFFAOYSA-N	413.264	4.596	50	20	HJGD	
O=P(CCN[C@H](C[C@H]1CCOC1)c1ccccc1)(c1ccccc1)c1ccccc1	775534579	BYIIOOLETBJMFK-ATIYNZHBSA-N	419.505	4.758	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)C(=O)c1ccc(Br)s1	780152875	HWUCVIASQQTCFW-VGOFMYFVSA-N	416.275	4.684	50	20	HJGD	
CCOC(=O)NNC(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	782080228	APQZVUNINNQLBD-UHFFFAOYSA-N	406.851	4.525	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)CCCC[C@H]2CCSS2)C1	784750442	KJIODMCYIWOCRX-OXJNMPFZSA-N	416.653	4.854	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1ccc2c(c1)oc1ccccc12	784824182	GIZZPDINSIOUPT-UHFFFAOYSA-N	413.355	4.687	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1	786045186	XUUDBEFMOQFHSW-UDWIEESQSA-N	411.914	4.551	50	20	HJGD	
C/C(C=NNC(=O)c1sc(-c2ccccc2)nc1C)=C\c1cccc([N+](=O)[O-])c1	787151909	AMNCITWEAJKVAH-NTVYCZHJSA-N	406.467	4.846	50	20	HJGD	
O=S(=O)(NCC1(c2ccccn2)CC1)c1ccc(S(F)(F)(F)(F)F)cc1	790005457	SQSYJQVRTNDSPR-UHFFFAOYSA-N	414.421	4.749	50	20	HJGD	
C[C@@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1	795072779	GYAAFISXMNJJPK-XHLXMQMBSA-N	417.387	4.940	50	20	HJGD	
O=C(NNc1cc([N+](=O)[O-])ccc1Br)c1sccc1-c1ccccc1	800620727	ATUXUMOJMAFQKK-UHFFFAOYSA-N	418.272	4.843	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cccc(F)c1	804210818	YLAFJAPIYDPNTN-LBPRGKRZSA-N	404.367	4.548	50	20	HJGD	
Cc1cc(Br)c(C(=O)NNc2cccc(Br)c2)cc1Cl	804466926	RQNRDKKBVXZVJS-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
N#C/C(=C\c1cn2ccc(Br)cc2n1)C(=O)c1cccc(C(F)(F)F)c1	811691399	OKJXSUQNJFQNHO-KPKJPENVSA-N	420.188	4.905	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1	813048233	PBDYKSJZVPJQDN-UHFFFAOYSA-N	420.538	4.746	50	20	HJGD	
CC(C)[C@@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C1(CO)CCC1	813721624	ZNKPRARBXHBCOR-CQSZACIVSA-N	423.469	4.810	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2ccc(OC)cc2C(F)(F)F)cc1OC	816704166	IQMGIXKLSZJWTJ-UHFFFAOYSA-N	412.408	4.658	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)n2ccccc2=Nc2ccccc2)c1C	832907991	DJIHBWFCIWZLLC-NRBWNUIFSA-N	414.509	4.594	50	20	HJGD	
Cc1ccccc1NNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1	865496147	SWIBRJVBBMDJEW-UHFFFAOYSA-N	410.861	4.926	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC(F)F	915985245	RKYSHPHXBGECQJ-QPEQYQDCSA-N	422.815	4.853	50	20	HJGD	
O=C(NCc1ccccc1CO)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	921061033	KROWJMHMRNFKHR-OAHLLOKOSA-N	404.841	4.720	50	20	HJGD	
COc1ccc(Br)c2[nH]c(C(=O)NNc3ccc(C)c(Cl)c3)cc12	1317794919	LWCIRNBOQLAFJN-UHFFFAOYSA-N	408.683	4.658	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncccc34)CCC2)cc1	1786443259	DXYMFEAQCSLNSP-IBGZPJMESA-N	424.932	4.718	50	20	HJGD	
Cc1ccc2cc(C(=O)N3CCC4(CCCN(C(=O)[C@H](F)Cl)C4)CC3)sc2c1	1810913161	LJJSQTOKISNJSX-SFHVURJKSA-N	422.953	4.589	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1	1815321384	VTUFERVXMCJCRG-DOTOQJQBSA-N	423.344	4.777	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)CC1	1822223232	PJKFMBUMOIVSIW-JFIYKMOQSA-N	423.001	4.883	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2nc3ccccc3s2)c1C	5365074	QAYWXARJMRUFJL-ZNBBLSJYSA-N	409.511	4.572	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3ccccn23)cc1OC	17473463	SFDXCLHMPYQQBL-NBVRZTHBSA-N	424.460	4.564	50	20	HJGD	
Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)/C(C#N)=C1\Nc2ccccc2S1	23932310	OXNAWDDHBDDRPX-SPPQWUQUSA-N	419.535	4.578	50	20	HJGD	
C[C@@H](c1ccccc1)n1cnnc1SCC(=O)/C(C#N)=C1/Nc2ccccc2S1	117464381	CYWLSAXKCLODPF-IXPAQYDLSA-N	419.535	4.502	50	20	HJGD	
N#CCCCOc1cccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1	726736163	CTJMGTCICVJLSI-UHFFFAOYSA-N	424.460	4.941	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1c[nH]cc1-c1ccc(Cl)s1	727804853	RNIKQWVIHAZCRD-UHFFFAOYSA-N	414.701	4.778	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2csc(-c3ccc4c(c3)OCO4)n2)c1C	728437809	JDENOKXRZHROTQ-PXNMLYILSA-N	403.463	4.701	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	728607545	AGTXGYOGPIFWJP-UHFFFAOYSA-N	421.906	4.597	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(-n2nccc2C(F)(F)F)c1	728717089	RQKPMWIOCABCNP-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1oc2ccccc2c1CSc1ncccn1	729281411	YLRAQZLJUNFKAT-UHFFFAOYSA-N	412.421	4.550	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N[C@H](C)c3csc4ccccc34)cc2C1	730021227	BPHQAFHPFWHNQO-QWHCGFSZSA-N	413.568	4.793	50	20	HJGD	
Cc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1NC(=O)C(C)(C)C	732048286	YYSJVCDHXVCAGO-UHFFFAOYSA-N	408.951	4.562	50	20	HJGD	
Cc1ccc(NCC(=O)NNC(=O)c2sc3cc(C(C)C)ccc3c2Cl)cc1	732677078	SBERGNSTABIKRV-UHFFFAOYSA-N	415.946	4.860	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1	732716646	WYGMSBYDJPARAX-PXLXIMEGSA-N	419.488	4.563	50	20	HJGD	
Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(CCCl)cc3)cc2)nc1	733250426	BKFDOTCKUZODSG-UHFFFAOYSA-N	402.903	4.764	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(Br)c(F)c1	733807318	AIJOXEACRMRBNE-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1cc(OC(F)F)c(C(=O)NNc2ccc(Br)cc2Cl)s1	734016538	SAJSCXPXALYHJW-UHFFFAOYSA-N	411.655	4.831	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCOC[C@@H]2c2ccco2)c1C	735025857	WLNSZZQKBWLTRT-XOYGFPHKSA-N	415.493	4.503	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](CC)C(=O)c2ccc(OC)cc2)c1C	738590402	IPZUTOKHKRGABY-PZHBDVNGSA-N	408.498	4.635	50	20	HJGD	
Cc1cc(OCc2ccc(C(=O)NN=Cc3c[nH]c4ncccc34)cc2)ccc1Cl	741760899	UPAVEKZLIMGVLN-UHFFFAOYSA-N	418.884	4.868	50	20	HJGD	
CCC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)[C@@H]1CCOC1	741836855	FUNGSQYNQFMJOB-JOCHJYFZSA-N	402.494	4.951	50	20	HJGD	
COc1ccc(NC(=S)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1	741869619	DRYBJAJLWUSSPE-UHFFFAOYSA-N	419.721	4.679	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCc2nc(C(F)(F)F)cs2)c(C)n1CC(C)C	742929478	KMDMNHIYVZRXQZ-PXNMLYILSA-N	424.492	4.502	50	20	HJGD	
CCc1nnc(-c2cccc(NC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)c2)o1	743784649	CNXTVQYKNZRWJH-RGVLZGJSSA-N	417.513	4.919	50	20	HJGD	
Cc1c(COc2ccccc2)cccc1NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	746627766	WVQBTQVQCUOILN-CIAFOILYSA-N	410.477	4.638	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc(-c3ccccc3Cl)on2)cc1C(F)(F)F	746897345	WDVAHRZEFXQKIK-UHFFFAOYSA-N	406.751	4.642	50	20	HJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c(C)c2C(=O)OCC)ccc1OC	747034477	SLOMLHVDNJZBAW-VCHYOVAHSA-N	422.481	4.562	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cccc(C#N)c3)c3c(C)noc3n2)c(C)s1	748049844	IANWLWPTRKGRIY-UHFFFAOYSA-N	403.467	4.505	50	20	HJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748710561	CJSAVDQXVYBIOV-UHFFFAOYSA-N	415.755	4.589	50	20	HJGD	
O=C(Cc1ccccc1F)NNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752984914	UDQSYLIZRORFMU-UHFFFAOYSA-N	413.343	4.879	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(Br)c1	753656606	NTLQDCPQWSZCCG-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(OCc2ccccc2)nc1	754152226	BBPNYHQJWUQPOH-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
CCCCCCOCc1cccc(NC(=O)NNC(=O)c2cccc3ncccc23)c1	756238972	HBQYWKBDNUTPRM-UHFFFAOYSA-N	420.513	4.798	50	20	HJGD	
CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762668933	XAWJFZXJRWZIPB-INIZCTEOSA-N	418.428	4.586	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c(C)n1C1CCCCC1	765232028	UUXVHTGRKWPCJE-BKAYVGFPSA-N	408.550	4.636	50	20	HJGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNC(=S)Nc2cccc(Cl)c2)C1	766553384	BOYGTXLHRZYRFK-QAPCUYQASA-N	411.999	4.813	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1SC(F)(F)F	773698067	VQHZCGZHOMIJCB-UHFFFAOYSA-N	424.231	4.687	50	20	HJGD	
CC(C)(C)Sc1ccc(NC(=O)C(=O)NNc2cccc(C(F)(F)F)c2)cc1	773741923	ZROHGEMABPDEFW-UHFFFAOYSA-N	411.449	4.678	50	20	HJGD	
Cc1onc(-c2cccc(Br)c2)c1C(=O)NNc1ccc2ccccc2n1	777462415	RSRADXFFBWWDGO-UHFFFAOYSA-N	423.270	4.718	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccccc1N(C)C(=O)c1cccs1	777481603	CRPZFINGPSSYLA-UHFFFAOYSA-N	416.506	4.638	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F	777481609	CZCWPZOGICAVMH-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(-c2nc3ccccc3s2)s1	780730794	LUQVMTUZVTUYDK-UHFFFAOYSA-N	409.492	4.568	50	20	HJGD	
Cc1cc(Cl)c(NC(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)cc1Cl	792443953	DOTGHOXSQRRXAZ-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
Cc1ccc(-c2ocnc2C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1	802037739	RLCVORBTRAYYTC-UHFFFAOYSA-N	412.449	4.784	50	20	HJGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211089	LPYBCGFRJSOBOQ-LSDHHAIUSA-N	418.444	4.779	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCCc2nnc(-c3ccccc3)o2)c1C	806109531	LUDJHMNVTJMALS-QNGOZBTKSA-N	418.497	4.648	50	20	HJGD	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCC(Cl)Cl	808131463	VXCAXHVXGQZPGB-UHFFFAOYSA-N	409.697	4.635	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc(OC)c1OCC(F)F	809145748	FBROAAPMFCBSHU-LZYBPNLTSA-N	401.409	4.754	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCC(F)F	809147999	ZZNGPDZWGUBLCL-PXNMLYILSA-N	416.424	4.510	50	20	HJGD	
C/C(C=NNC(=O)c1ccc(Br)s1)=C\c1ccccc1OC(F)F	811635413	WVIUAVNAYOWZDW-XMYDLDOCSA-N	415.259	4.931	50	20	HJGD	
COc1ccc([C@@H](O)C2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)cc1	812626324	OOQMUROIKQLCQT-TZIWHRDSSA-N	409.617	4.681	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2	813046657	FPUCMBGZVBAPHH-SFHVURJKSA-N	422.573	4.560	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCCC[C@H]2c2ncon2)c(C)n1CCC(C)C	813517034	DGAFFGRBOVMPKN-OABJIQBASA-N	409.534	4.585	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(CN3CCCCC3)cs2)c1C	822798934	ZLRQTFUTPIVTDQ-UNOMPAQXSA-N	411.575	4.503	50	20	HJGD	
Cc1cc(Cl)cc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)c1	1788587379	CODJAZWZNBQKKM-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC)cc2)CC1	1824615247	CZEWJPHDXGOMNG-FGZHOGPDSA-N	419.009	4.890	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(C)cc2)CC1	1830314162	WMWKNGDSQPRMFK-YUXAGFNASA-N	419.009	4.736	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1	11334020	LVRZSNLSKFTLOH-UHFFFAOYSA-N	403.873	4.719	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)NCCc1ccccc1	23389971	BCQJQDBHGJHFFK-NBVRZTHBSA-N	403.463	4.589	50	20	HJGD	
Cc1noc(C)c1COc1ccccc1C(=O)NNc1ccccc1C(F)(F)F	45480516	PKPMISYCZAWDNY-UHFFFAOYSA-N	405.376	4.646	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2nccs2)c(C)n1-c1cccc2ccccc12	195626703	IKEJRYFADUUOBD-MOSHPQCFSA-N	412.518	4.927	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCCC[C@@H]2c2ccco2)c(C)n1C[C@H]1CCCO1	303941238	YTSWVEBFXJYVIT-RWZXHSLKSA-N	421.541	4.928	50	20	HJGD	
C[C@H](NC(=S)NNC(=O)Nc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl	726484873	JXCVKXUTARUUTN-QMMMGPOBSA-N	419.284	4.533	50	20	HJGD	
CCCC[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)cc1	728753191	USDGCGIAMZNEEZ-SFHVURJKSA-N	424.328	4.878	50	20	HJGD	
CC(C)[C@H](CC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	728827228	MVSUQDHGUANGDZ-INIZCTEOSA-N	423.738	4.693	50	20	HJGD	
C[C@H](Sc1nnc(-c2ccccc2)s1)C(=O)C(C#N)=C1Nc2ccccc2N1	729941889	ZWTCLBOZBJEJSK-LBPRGKRZSA-N	405.508	4.528	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cccc(OCc3ccccc3C(=O)O)c2)c1	731562837	HMNQMUAVGXPZKW-UDWIEESQSA-N	413.429	4.762	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1ccc(O)c(Cl)c1	731834779	YFPVIDVJDSCKSJ-UHFFFAOYSA-N	409.589	4.584	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(c2ccccc2)C2CCN(C)CC2)c1C	732732615	DOTOGUDPBPYDTD-OQKWZONESA-N	404.558	4.549	50	20	HJGD	
COC(=O)c1[nH]c(C)cc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	735010843	GOYUGSYDVKSXGW-PDGQHHTCSA-N	408.502	4.579	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)c1C	735020074	VQFOHGMBAARGCF-OEAKJJBVSA-N	420.557	4.818	50	20	HJGD	
O=C(CCCSc1ccc(Br)cc1)NNc1c(F)cccc1F	735694129	FSWOUGDEFXSNOP-UHFFFAOYSA-N	401.276	4.743	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c3ccncc3)c2C)cc1	735961350	QCHVUSLSJOMZQN-ALDSOSFCSA-N	401.466	4.709	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNc1ccc(Br)cc1F	748183886	DYNPJUMHLVVNTR-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1cccn1Cc1cccs1	755506751	NDKZADKZBVHJCS-UHFFFAOYSA-N	415.518	4.794	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(Oc2cccc(F)c2)c2ccncc12	756360499	DPJPKKUBFUNGLR-UHFFFAOYSA-N	408.433	4.509	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1)c1ccccc1	760457505	XNADCMJGBOITGR-QHCPKHFHSA-N	416.477	4.636	50	20	HJGD	
CC[C@@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CCOCC1	762663024	BCUFZXLRJUZDJH-CQSZACIVSA-N	416.412	4.604	50	20	HJGD	
CC[C@@H](C)Sc1ccc(NC(=O)NNC(=O)CSc2ccccc2O)c(C)c1	763951706	XYWRDYXDCZRUAU-CQSZACIVSA-N	419.572	4.536	50	20	HJGD	
C[C@H](CBr)CN[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1	770668084	VLLHSYIIOQWDEA-HUUCEWRRSA-N	407.327	4.689	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1cccc(OCc2cscn2)c1	775585351	GIHFWXBFUCXMDW-UHFFFAOYSA-N	410.286	4.573	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ccc4ccccc4n3)cc(-c3ccco3)nc21	777465228	FMOPKMVZMQIPNV-UHFFFAOYSA-N	412.453	4.577	50	20	HJGD	
N#Cc1ccccc1Oc1ccccc1C(=O)NNc1nc(C(F)(F)F)cs1	778509461	SXXRFYZNDKDIMN-UHFFFAOYSA-N	404.373	4.583	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC([C@@H]2CCCO2)CC1	784038686	JOZTYVGUENKLQT-HNNXBMFYSA-N	421.453	4.924	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1	790167259	OVGVCNVXMCJKLQ-NSHDSACASA-N	407.301	4.729	50	20	HJGD	
COc1cc(NNC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)ccc1Cl	790172255	SFBSVHHBPLOTEI-UHFFFAOYSA-N	400.862	4.682	50	20	HJGD	
COc1cc(NNC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1Cl	790177668	JUASWXLBVXTIEQ-UHFFFAOYSA-N	400.837	4.824	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl	792351871	DRGFNLHUUAPAQL-UHFFFAOYSA-N	422.897	4.699	50	20	HJGD	
CCOC(=O)c1scnc1/C=C(\C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	794930987	IIBGLTPCXODFDP-NTCAYCPXSA-N	419.462	4.658	50	20	HJGD	
N#C/C(=C\c1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)c1ccc2ncccc2c1	794964638	GPZDUVDOMCGTGC-XNTDXEJSSA-N	420.259	4.912	50	20	HJGD	
C=C(CBr)COC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC	795484753	QZSGMIDOKMMLGW-AWEZNQCLSA-N	424.364	4.503	50	20	HJGD	
CON(CC1CCOCC1)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	801611274	BKOCIZMXYJCWJF-AWEZNQCLSA-N	412.861	4.728	50	20	HJGD	
COc1c(C)cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1C	804210574	NTPAVEAGXKAJDK-UHFFFAOYSA-N	416.403	4.545	50	20	HJGD	
O=S(=O)(Nc1cccc2nc(O)[nH]c12)c1cccc(S(F)(F)(F)(F)F)c1	811717987	FEFJPJJUOIUURT-UHFFFAOYSA-N	415.365	4.727	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNc2c(C)cccc2C(C)C)c1C	812766175	JUPAEDRIIDHBAN-UZQMFHLOSA-N	408.546	4.794	50	20	HJGD	
CC(C)[C@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C1(CO)CCC1	813721623	ZNKPRARBXHBCOR-AWEZNQCLSA-N	423.469	4.810	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(Br)cc2C(F)(F)F)ccn1C(C)C	815542258	ZUZWIRPSSWFTEK-UHFFFAOYSA-N	404.230	4.916	50	20	HJGD	
CSC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	815754354	LBTLYKZVCYSXKJ-NSHDSACASA-N	418.453	4.884	50	20	HJGD	
CCc1sc(C(=O)NNc2ccc(Br)cc2F)cc1Br	815852070	FYMXKZJCQPSTQK-UHFFFAOYSA-N	422.117	4.732	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1	817911134	JPSOOWDDACLHNQ-UHFFFAOYSA-N	409.467	4.902	50	20	HJGD	
N#C/C(=C/c1ccc(OC[C@H]2CCCO2)cc1)C(=O)Nc1ccc(F)c(Cl)c1	834692607	DPQAIFISHOOZOP-QWSHFYNQSA-N	400.837	4.583	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	915910638	PRQWJPVDQWDPKS-IBGZPJMESA-N	414.292	4.727	50	20	HJGD	
CC(C)Cc1ccc([C@@H](NC(=O)NNC(=O)OC(C)(C)C)c2cccs2)cc1	916195847	YQPMMIVSLBQKNK-GOSISDBHSA-N	403.548	4.775	50	20	HJGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1	916285214	YOMXTGUVOVVKEO-UHFFFAOYSA-N	412.449	4.607	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(OCC#N)c3)c2C)cc1	916410707	CDVOLZWKAPMBMI-KGENOOAVSA-N	410.477	4.851	50	20	HJGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2c(-c3ccccc3)nc3sccn23)c1C	917028610	YRQIPYFMSKBFIC-QGZVFWFLSA-N	418.522	4.597	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Br)cc2)ccc1OC1CCCC1	918319838	CSNMNOWPAZWTHW-UHFFFAOYSA-N	405.292	4.536	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc(C#N)n1C	919995180	XXWQMFBTDCVJDO-SXGWCWSVSA-N	417.856	4.592	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(N4CCOCC4)cc3)n2)cc1	920068494	VGACMJQZQPTARW-XMHGGMMESA-N	403.507	4.719	50	20	HJGD	
C/C(=C\c1cccs1)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788580074	LDSFZRUSSQKTAW-GZKZCVOOSA-N	406.910	4.820	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4n3C)cc2)CCC1	1788885977	LRQCSSQZYDVGBP-LJQANCHMSA-N	423.944	4.943	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1	1791324305	WCSDXNJISIUOKX-NHAYFPRASA-N	402.966	4.964	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C3(F)CCCCC3)CCC2)cc1)C(Cl)Cl	1791604338	PZQGRJFICOWYGB-UHFFFAOYSA-N	401.309	4.597	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(F)c2s1	1797446544	BLMJNVGFXOGZLA-FZKCQIBNSA-N	422.953	4.700	50	20	HJGD	
Cc1ccccc1-n1ccnc1SCC(=O)/C(C#N)=C1/Nc2ccccc2S1	212957588	XSSNSOMPINKWRV-HKWRFOASSA-N	404.520	4.795	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCc2cccc(OC3CCCC3)c2)c1	727864298	DGEKDYSFPBTODL-UHFFFAOYSA-N	411.571	4.575	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)cc1	730843026	VZZMGHACMNHGMH-FCHUYYIVSA-N	419.550	4.748	50	20	HJGD	
Cc1cc(C(=O)NN=C2CCC(NC(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccc1	731923411	KFWBGXHKRTXCCD-UHFFFAOYSA-N	424.545	4.647	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C	733084294	ZEGORMXCVNQCQO-SXGWCWSVSA-N	404.451	4.881	50	20	HJGD	
COc1cc(C(=O)NNc2cc(C)cc(C)c2)cc(OC)c1OCc1ccccc1	733168996	NRFKGHGDYXZIQF-UHFFFAOYSA-N	406.482	4.657	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	733764405	IUXXYHBQEGGJKO-AXLWCPOOSA-N	406.461	4.622	50	20	HJGD	
CCc1cc(NNC(=O)c2cc(C)n(C3CCCCC3)c2C)nc(-c2ccccn2)n1	738531016	QSBNABMKPVZCQL-UHFFFAOYSA-N	418.545	4.781	50	20	HJGD	
CSCCCCC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12	739470839	NAORWPZXGPEVCQ-UHFFFAOYSA-N	407.539	4.505	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1-n1cncn1	742429288	KNSXZACBXSBMKP-ZHZULCJRSA-N	421.460	4.914	50	20	HJGD	
Cc1cc(C)c(NNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c(C)c1	743765227	ZLENYUNKCCYLHY-UHFFFAOYSA-N	414.509	4.684	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)cc1	744501969	KOQLDZIDTDPKQC-IVRIGKSTSA-N	412.489	4.864	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1csc(Cc2ccc(F)cc2)n1	748187590	LORGFDJKKBTGTP-UHFFFAOYSA-N	424.270	4.532	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(OCc2ccccc2)cc1	748695976	VHQSUXFFZYMUIM-UHFFFAOYSA-N	416.399	4.964	50	20	HJGD	
CCn1nc(C)c(C=NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1C	755496793	BQAOBGGPTAFKDO-UHFFFAOYSA-N	411.509	4.807	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)Nc1cccc(NC(=O)c2ccccc2)c1	755928161	ZUNSSKNIZHBRCI-UHFFFAOYSA-N	424.460	4.559	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=C(C)CC3CC3)c3ccccc3n2)cc1OC	756823117	FCPBVUYWZAUXAB-UHFFFAOYSA-N	403.482	4.825	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@@H]1Cc2cccc(O)c2C1	759483700	RUTRRSRDRBVMCP-BDJLRTHQSA-N	416.852	4.900	50	20	HJGD	
N#Cc1c(F)ccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1Cl	761748550	GUTVPPPSBCVQGI-UHFFFAOYSA-N	418.815	4.923	50	20	HJGD	
Cc1ccc(OCCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762643431	ZQSAICHZEPVOIF-UHFFFAOYSA-N	424.391	4.786	50	20	HJGD	
COCCCN1CCC(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762968432	KFCCHXNLZSHCMV-UHFFFAOYSA-N	417.444	4.966	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCCCC12OCCO2	766325104	AXSCFRWCCXCJPF-KGLIPLIRSA-N	424.872	4.713	50	20	HJGD	
Cc1ccc(-c2cncc(C(=O)NNc3ccc(Br)c(F)c3)c2)cc1	771680437	BKIWAZCFTQGUCP-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cs1	772178912	KVYGEOGEWIMQGV-OQLLNIDSSA-N	409.417	4.896	50	20	HJGD	
Cc1nc(-c2cccc(NC(=O)C(=O)NNc3c(Cl)cccc3Cl)c2)cs1	773691818	PXBBZWSTIHVNNQ-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
CCCCc1cc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n[nH]1	773746759	OXHCDSGBHPRHLA-UHFFFAOYSA-N	412.384	4.987	50	20	HJGD	
CSc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1C	775512875	ZPZXDCORXMZFBI-NURJGKTBSA-N	409.555	4.860	50	20	HJGD	
Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777619302	WCVKFYBQPKEITI-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1ccc2nc(C3CC3)sc2c1	783369232	HMICOZTUZQIOCG-UHFFFAOYSA-N	421.309	4.562	50	20	HJGD	
Cn1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c(-c2ccc(Cl)s2)n1	789820614	DZXSTQSDFUCPMS-UHFFFAOYSA-N	418.803	4.717	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccccc1CCC(F)(F)F	813047205	PZGYXGGXQRBAPR-UHFFFAOYSA-N	407.436	4.695	50	20	HJGD	
Cc1nc(C(C)C)ccc1COC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	815179523	VKFOFAGHNUWXEI-TYBHGIAWSA-N	421.541	4.761	50	20	HJGD	
COC(=O)c1cc(NNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)ccc1C	816689407	HFPTZFQMTJZCKN-UHFFFAOYSA-N	415.902	4.624	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(CC(F)(F)F)cs2)c(C)n1CC(C)C	819307217	SAARPWINKBGAFI-UUASQNMZSA-N	410.465	4.868	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ncco3)cc2C)c1C	820260378	CVKGNBQLDSOXBX-RHLNUJDMSA-N	418.497	4.821	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)cc1	832680815	XCZBCJBLLDPXCG-UHFFFAOYSA-N	423.476	4.805	50	20	HJGD	
COC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)CC1	843816261	CIMVSFNZPJPCCJ-JWGURIENSA-N	413.521	4.792	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1	857830946	KPDFJTPXNGFVGV-JOCHJYFZSA-N	421.928	4.961	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ncc(Cl)n2C)c(C)n1C1CCCCC1	912617688	JHQIOVUKSUAORA-YVLHZVERSA-N	400.910	4.647	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)c1	913454468	AWLQCOONAMTZQG-UHFFFAOYSA-N	424.595	4.802	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2cccc(F)c2)C(C)C)c(C)n1C[C@@H]1CCCO1	914503065	YAAUFEQCDAHDKK-MFUBYVTQSA-N	423.532	4.767	50	20	HJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1	915843121	RPTLUKXQYBALES-ZXMBATIKSA-N	412.467	4.540	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c(C)n1CC(C)C	916466833	KPRFGBYSPMVNKG-DNQIBQKISA-N	421.541	4.864	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCSc3ccccc32)c(C)n1C[C@H]1CCCO1	916557735	IOPCBQFRYZLYGJ-OKPNHQCWSA-N	421.566	4.720	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(Cl)s2)c(C)n1C[C@H]1CCCO1	916564657	SNHPSAJWRLFYPF-WAFWZSCLSA-N	417.962	4.564	50	20	HJGD	
O=C(/C=C\c1nc2ccccc2s1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	916831324	WNLQZRJXRGSWEF-QXMHVHEDSA-N	423.494	4.638	50	20	HJGD	
CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1	917038036	PHXIAQBKWMXSJP-UNOMPAQXSA-N	404.901	4.683	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2OCCOC)c1C	917762742	VHTHLZRQHDSFGN-QNGOZBTKSA-N	409.530	4.784	50	20	HJGD	
O=C(CCc1nc2ccccc2s1)NNc1ccc(Br)cc1Cl	1117644933	WTFPTEAEKOSOPS-UHFFFAOYSA-N	410.724	4.788	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCCc3cnn(C(C)C)c32)c1C	1325537953	BAHXHPQLQONASE-YRUATGHUSA-N	407.562	4.783	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2ccc(C(C)(C)C)nn2)c(C)n1C1CCCCC1	1328713998	DKMCOSZBLCTHIA-RGEXLXHISA-N	420.561	4.748	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccn(C3CCCCC3)n2)c(C)n1C[C@@H]1CCCO1	1339139298	JCRUJQAUSWFNRJ-FGGAIWKESA-N	421.545	4.531	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(C)c2)n[nH]1	1820535864	UOVRAJSOXJKWEU-PKOBYXMFSA-N	416.953	4.740	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1	1824618325	FHJBVYSGNXTBQQ-PMACEKPBSA-N	411.030	4.984	50	20	HJGD	
CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1	1831564590	RZJUIDBTFMEBIG-VBSBHUPXSA-N	414.993	4.603	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2sc(-c3ccc(F)cc3)nc2C)c(C)c1	16174856	HCSNGDXECXKMDT-UHFFFAOYSA-N	414.531	4.506	50	20	HJGD	
O=C(CCc1nc(-c2cccs2)no1)NNc1c(Cl)cc(Cl)cc1Cl	24217140	YBEWMRNIZJMXDF-UHFFFAOYSA-N	417.705	4.834	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N(C)c2ccccc2)c(C)n1C1CCCCC1	213041502	OPKJUQGHIDTVNO-QNGOZBTKSA-N	419.525	4.723	50	20	HJGD	
CC(C)[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1	726619595	SCYGNLUHNBUDIT-SFHVURJKSA-N	418.419	4.528	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2csc(COc3ccc(F)cc3)n2)cc1	728881772	PFGDKWZZPXJOPE-YBEGLDIGSA-N	424.453	4.520	50	20	HJGD	
Cc1cc(NNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1Br	734253239	WGKXQHLYHMYBKY-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
Cc1cccc(NC2CCN(CCP(=O)(c3ccccc3)c3ccccc3)CC2)c1	741258057	YVYUPESTLSYEOY-UHFFFAOYSA-N	418.521	4.885	50	20	HJGD	
O=C(NN=Cc1nc(-c2ccc(Br)cc2)c[nH]1)c1cccc2ccccc12	741462532	ISMOFPGTDQRVMU-UHFFFAOYSA-N	419.282	4.756	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1	743821224	ZIINSQJWZJIXFF-UONOGXRCSA-N	412.317	4.562	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)cc(C#N)n1C	745135793	ICQFSYCXIQJRDW-DWPZGGRYSA-N	416.525	4.846	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1	747608815	AHIDYTAOHATBGJ-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNc5ccc(C#N)cc5)(C4)C2)C3)cc1	748106167	HWUNJLNRKHWVDI-WWVRUBFXSA-N	401.510	4.548	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	752293631	LNYQMRATIQDUDP-GNKPEBMXSA-N	420.488	4.665	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1oc2ccccc2c1CSCc1ccccc1	760922100	BFBAOUSJKDOCEI-UHFFFAOYSA-N	408.458	4.552	50	20	HJGD	
C[C@H](C(=O)NNc1nccc2sccc12)c1cccc(C(=O)c2ccccc2)c1	762253661	XHRZUSPOORMRCL-HNNXBMFYSA-N	401.491	4.774	50	20	HJGD	
N#Cc1ccccc1OCc1ccc(C(=O)NNc2c(Cl)cccc2Cl)o1	763610691	NPNOCTQVPLDTNP-UHFFFAOYSA-N	402.237	4.794	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(=O)n(Cc2ccccc2Cl)c1	763616083	NZPIDGUWXYYAMB-UHFFFAOYSA-N	422.699	4.614	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1	767306605	VDWCLKUUKDFJJW-KRWDZBQOSA-N	421.310	4.504	50	20	HJGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)/C(C#N)=C1/Nc2ccccc2S1	768432112	IBPSBILZWRAOGH-ORHXRLAQSA-N	401.444	4.737	50	20	HJGD	
CCCCOc1cc(OC)ccc1C(=O)NNc1ccc(Br)cc1F	769605677	MLKWEGXWDHEPHO-UHFFFAOYSA-N	411.271	4.533	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccc(F)cc1-c1nc2ccccc2s1	770025329	BDENHLNFCVZMDE-UHFFFAOYSA-N	414.853	4.694	50	20	HJGD	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NNc2c(C)cccc2F)cc1	771701090	LMYJLFFWIVMOQA-UHFFFAOYSA-N	411.389	4.600	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(-n2ncc3ccccc32)cc1	775714620	MQECVWVWIKHXAT-UHFFFAOYSA-N	412.375	4.588	50	20	HJGD	
CCCc1c(C(=O)NNc2ccccc2C(F)(F)F)cnn1-c1ccc(F)cc1	782187270	JFSFWKGQODGDID-UHFFFAOYSA-N	406.383	4.740	50	20	HJGD	
CCn1nc(C)c(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1C	782913821	VCRGWTWMEUCYPZ-UHFFFAOYSA-N	405.414	4.978	50	20	HJGD	
COCc1ccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	782984146	QXHRHOFJVDVBOT-UHFFFAOYSA-N	417.421	4.969	50	20	HJGD	
C[C@H](Oc1ccccc1NC(=O)C(=O)NNc1ccc(Cl)cc1)c1ccccc1	783337711	FSIRCNQUTFPVPO-HNNXBMFYSA-N	409.873	4.562	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1	785244438	DOYZOYCEOCKWMY-OJSPLJLUSA-N	401.441	4.584	50	20	HJGD	
COc1ccccc1SCC(=O)NN=C/C(C)=C/c1ccccc1OC(F)F	811646381	XJUFNWBEBLJRAM-VYXMHMSKSA-N	406.454	4.594	50	20	HJGD	
Cc1cc(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)c1OC(F)F	812244541	DHHDOVYMWUMXKF-WZUFQYTHSA-N	410.174	4.726	50	20	HJGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(-c3ccc(OC(C)C)cc3)cc2F)cc1	815588523	RMKZMHKBJXTERC-UHFFFAOYSA-N	421.472	4.670	50	20	HJGD	
COc1cc(F)cc(NNC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)c1	815857497	GSTSVWCPTGISCY-UHFFFAOYSA-N	403.454	4.518	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CCC#N)c(C)n1-c1cc(Cl)ccc1Cl	843417743	KDSDJVOIUZOIDQ-MHWRWJLKSA-N	401.297	4.680	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1OC(F)F)S(=O)(=O)c1ccc(Cl)cc1	915984869	LRMSQZWZGKHFFS-ZSOIEALJSA-N	404.221	4.933	50	20	HJGD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	916063723	DEBLYQZQMPHAGY-XKZIYDEJSA-N	420.557	4.707	50	20	HJGD	
CCc1ccccc1OCC(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl	916304686	LHVCTPQHBDFEPR-UHFFFAOYSA-N	414.918	4.632	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc2ccccc2c1O	916359882	FRKYMGXDHYJPTL-UHFFFAOYSA-N	400.434	4.871	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cc(Br)cs2)c1C	916439618	VXTOKAPRLICRCI-CHHVJCJISA-N	406.349	4.562	50	20	HJGD	
O=C(NN=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2ccc(F)cc2)s1	917030108	UYPRQNYYFRNGFM-UHFFFAOYSA-N	403.822	4.880	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc3ncsc3c2)c(-c2ccccc2)n1	918576425	NZBYVOIPSAIDJM-GZTJUZNOSA-N	424.489	4.619	50	20	HJGD	
CCOc1ccc(C2(CNC(=O)CCCC[C@@H]3CCSS3)CCOCC2)cc1	919839974	ACROBAZCVVWHQV-HXUWFJFHSA-N	423.644	4.964	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(OCC(C)C)c(OCC)c2)n1	920386447	AQTYUAKUTBOIAH-CXUHLZMHSA-N	400.500	4.817	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Br)CCC2)cc1	1789457877	DLYKQSSSGSAIJZ-CRAIPNDOSA-N	419.363	4.672	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2)n[nH]1	1820498660	FIWQLHXOOIRXLW-WBVHZDCISA-N	423.344	4.777	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1	1822973760	NJTHUTBXMHLSKG-XPIZARPCSA-N	406.958	4.556	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2cccs2)CC1	1830301969	AUCQPWVHURBHFE-LOVRKWTRSA-N	423.022	4.789	50	20	HJGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)o2)cc1	98067982	XWJAAJGUENTCAC-VBKFSLOCSA-N	406.825	4.932	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(CC)cc2)c1C	212294869	ZITCFSMMMMYBAK-SBGXLDQMSA-N	407.514	4.555	50	20	HJGD	
CCCc1sc(C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)cc1CC	727497528	XCDCFPQJMOPCPT-UHFFFAOYSA-N	405.589	4.682	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1	727791406	FHXBGLADHFLXOO-JTQLQIEISA-N	419.230	4.967	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1Nc1ccccc1	727805883	BVRMWIFINFRSDH-UHFFFAOYSA-N	400.265	4.812	50	20	HJGD	
CCc1ccc([C@H](C)C(=O)NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1	727848236	JXJOJJLPZVFBCI-SFHVURJKSA-N	422.550	4.637	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc([S@@](C)=O)c3)c2C)c1	732123336	XCZCLGHEYTXDIY-OITFCYKPSA-N	417.534	4.686	50	20	HJGD	
CCn1cc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cn1	732528890	DCRYQBGPUCFYBF-LICLKQGHSA-N	410.424	4.702	50	20	HJGD	
CC[C@H](C#N)Oc1cc(CNC(=O)NNc2ccc(Cl)cc2Cl)ccc1OC	733657642	XJCQABPDRBPKCM-CQSZACIVSA-N	423.300	4.509	50	20	HJGD	
CCn1cc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cn1	733785607	MEPYRZURGJFQPT-JAIQZWGSSA-N	421.932	4.530	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c(SC)cc1OC	741165686	QNWTXHNOYVQZKL-NTUHNPAUSA-N	417.556	4.725	50	20	HJGD	
COC(=O)C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1cccc(Cl)c1	743795791	QIPOLMZDSDALPJ-HOTGVXAUSA-N	401.981	4.775	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2cccc(Br)c2)c1	748020940	UVEZLHOEWDJOMH-UHFFFAOYSA-N	424.726	4.844	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3cccc([N+](=O)[O-])c3C)cc2)cs1	748666501	XSLNNTMCGVAUMD-UHFFFAOYSA-N	414.512	4.717	50	20	HJGD	
Cc1ccc(NNC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)cc1	749193914	NWDVCZWNHBDVLD-UHFFFAOYSA-N	414.303	4.797	50	20	HJGD	
Cc1nn(C)c2ncc(/C=C(/C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc12	750892761	KJUDWIFIJIOUHG-PDGQHHTCSA-N	409.449	4.615	50	20	HJGD	
CS[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1N(C)C	752976106	DDNWGVKSMFLLLO-OLZOCXBDSA-N	405.458	4.853	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cnn(C(C)C)c1-c1ccccc1	754279710	DRBIQHKRCWHOKZ-UHFFFAOYSA-N	413.319	4.959	50	20	HJGD	
COc1cc(/C=C(/C#N)c2ccncn2)ccc1OCCOc1ccccc1Cl	758911587	JWNSSKCJAKWTOL-ATVHPVEESA-N	407.857	4.661	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1	759329032	XJOUJAKUYCPOLW-UHFFFAOYSA-N	421.881	4.589	50	20	HJGD	
O=C(NN=Cc1cc(Cl)cc2cccnc12)c1ccc(F)cc1Br	763169047	LAKSHZHADWOAQW-UHFFFAOYSA-N	406.642	4.554	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2	763612630	QMOLAVDBGSJBJI-UHFFFAOYSA-N	423.250	4.703	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	766675660	QMARACHASUWBCT-UHFFFAOYSA-N	423.479	4.508	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(Br)c(F)c2)cc1Oc1ccncc1	771691194	JKXFBLSPUPOEPK-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
C[C@@H]1C[C@@H]1c1cc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n[nH]1	773747993	UAFXPLXOYNGBKA-KCJUWKMLSA-N	410.368	4.768	50	20	HJGD	
CC(=O)Nc1sc(NC(=O)[C@H](Br)C(C)(C)C)nc1-c1ccccc1	775283796	FNHBOTXCGNZHAG-ZDUSSCGKSA-N	410.337	4.517	50	20	HJGD	
C[C@]1(C(=O)O)CCCC[C@@H]1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776637909	ICEBMKDLAUMXAK-JSGCOSHPSA-N	423.425	4.656	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)c([N+](=O)[O-])cc1OCC(F)F	778519454	WJXORZYBDAUQJR-UUILKARUSA-N	409.414	4.891	50	20	HJGD	
COc1cccc(C(=O)c2ccc(C(=O)NNc3c(Cl)cccc3Cl)cc2)c1	780913092	QQOZTWBWKYCAHQ-UHFFFAOYSA-N	415.276	4.990	50	20	HJGD	
CC(C)(C)Oc1ccccc1NC(=O)C(=O)NN(Cc1ccccc1)c1ccccc1	782824714	GPRWEGTVZMVQFC-UHFFFAOYSA-N	417.509	4.540	50	20	HJGD	
CC(C)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO1	782987960	QIQFAVIOOZIBPJ-RISCZKNCSA-N	409.442	4.826	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(COCc2ccccc2)c1	785253370	LYUWVMORLOYINR-UCQKPKSFSA-N	400.453	4.766	50	20	HJGD	
CC(=O)N(c1nc(COC(=O)/C(C#N)=C\c2ccccc2)cs1)c1ccccc1F	785344100	IZYBIAHTVNRYNY-BOPFTXTBSA-N	421.453	4.617	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc(F)cc2F)ccc1Oc1cccnc1	786054216	RXDWWMQOOCQUSR-ZDLGFXPLSA-N	405.404	4.684	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1nc2ccccc2cc1C	793778314	ACWJRTRWJYWDMR-UHFFFAOYSA-N	406.486	4.956	50	20	HJGD	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNC(=O)Nc1ccccc1	801986101	XMINFYFTVIPABL-VOTSOKGWSA-N	417.309	4.590	50	20	HJGD	
O=C(NNC(=O)c1csc(-c2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1	802015156	FAQGOOOQRIGETR-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccccc1OC(F)F	804210757	VYKIMCGPWWGMIV-UHFFFAOYSA-N	424.329	4.521	50	20	HJGD	
COCCc1ccnc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1	804388150	MQFSOERXQMFJGU-QNGOZBTKSA-N	406.530	4.740	50	20	HJGD	
COCc1ncc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)s1	813999983	UEEKKDZKYQCRCO-VXLYETTFSA-N	421.522	4.656	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C(F)(F)F)c1	816702608	URTHLIGUZMDYIH-UHFFFAOYSA-N	424.350	4.782	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3oc(O)nc3c2)c1C	913055664	VXHWXBWKSYUMQF-WQRHYEAKSA-N	412.449	4.795	50	20	HJGD	
CC(C)(C)NC(=O)c1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	915340436	JDCGCRPQBGCCSS-UHFFFAOYSA-N	416.525	4.958	50	20	HJGD	
Cc1cc(C(=O)NNC(=S)Nc2ccc3ccccc3c2)c(C)n1-c1ccccc1	915995732	PTXYMMOYGNYVIF-UHFFFAOYSA-N	414.534	4.879	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1	916227655	ICGRTKXQJZOVCD-HSZRJFAPSA-N	413.477	4.729	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)CCc2ccccc2)c(C)n1C[C@@H]1CCCO1	918952694	KVDQAZCQHODZIK-FNNSOVQTSA-N	406.526	4.755	50	20	HJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	919810599	PNVLZBIINNXMLQ-UHFFFAOYSA-N	401.677	4.509	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)c1ccccc1F	921265983	UMROWBVNPXQSBN-PTNGSMBKSA-N	418.262	4.793	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCc2ccc(C(F)(F)F)cn2)c1C	1263972356	BBASPXGIHNLMRR-PDGQHHTCSA-N	418.463	4.585	50	20	HJGD	
CC1(C(=O)NC2(c3ccc(NC(=O)CCBr)cc3)CCC2)CCCCC1	1787674767	VQKHYPABNMVSCS-UHFFFAOYSA-N	421.379	4.876	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1c(F)cccc1Cl	1790224783	JDQSGDMLIYOWSW-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)OC2CCCCC2)cc(Br)c1OC	14178799	OPGLJDQKBPWFIX-NTEUORMPSA-N	408.292	4.639	50	20	HJGD	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1c(Cl)cccc1Cl	303332933	UAUSTYCYCOIMGS-VIFPVBQESA-N	420.123	4.940	50	20	HJGD	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1nccs1	730575996	WPFGZVLVCBSIHB-XFXZXTDPSA-N	400.257	4.711	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C(=O)O)c1)C(=O)c1ccc(F)cc1	731563489	QWZUIUHMZWISJO-XDHOZWIPSA-N	401.393	4.893	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)c1C	734255807	NBZKDIZLUCLJNT-UHFFFAOYSA-N	414.513	4.691	50	20	HJGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNc1cccc(Cl)c1)c1cccc(Cl)c1	740815615	VVOQHVWZMVREEK-INIZCTEOSA-N	410.301	4.703	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ncc(-c3ccccc3)o2)c1C	741294491	CMPHWFXNSAFKHW-PKIWBCANSA-N	419.481	4.618	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cccc(OCc4ccccc4C(=O)O)c3)nc12	741472792	KFLDHYLTMBXHPT-WOJGMQOQSA-N	410.433	4.608	50	20	HJGD	
CC[C@H](Cc1ccccc1)N(C)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	741963997	CWWFQPMHPHMYAT-JAINMRLISA-N	407.558	4.699	50	20	HJGD	
Cc1ccc2c(CCC(=O)Oc3ccc([N+](=O)[O-])cc3Br)c[nH]c2c1	745952612	XMJJFIDOJBXACJ-UHFFFAOYSA-N	403.232	4.685	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)c1cccc(F)c1	746424700	DPUNGYATGJGLJT-INIZCTEOSA-N	419.456	4.555	50	20	HJGD	
O=C(NN=Cc1c(F)cccc1Cl)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	747615125	RLQYNSJNTXBRAO-QHCPKHFHSA-N	421.903	4.556	50	20	HJGD	
CC(C)OCc1c(C(=O)NNc2cccc(Br)c2)oc2ccccc12	748020560	XLIADGHICUYGKI-UHFFFAOYSA-N	403.276	4.877	50	20	HJGD	
N#Cc1ccc(OCc2cccc(C(=O)NNc3cccc(Br)c3)c2)cc1	748020680	MYFYSLASTTYMDN-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
O=C(COc1ccc(C2SCCCS2)cc1)NNc1cccc2c1CCCC2	748587744	CLHXUXJGGRHBGC-UHFFFAOYSA-N	414.596	4.956	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(F)(F)F	750896772	SVYHKMJWBFOYEP-MHWRWJLKSA-N	404.388	4.881	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c1C	751188815	DFJPYNBNXVAHAY-OVCLIPMQSA-N	422.312	4.612	50	20	HJGD	
Cc1ccc(C(=O)CCC(=O)CCC(=O)NNc2cc(Cl)ccc2Cl)s1	752813468	XFUOSIXPIMMIRU-UHFFFAOYSA-N	413.326	4.819	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1ccccc1SCc1ccccc1	755531382	BWFHLHBMKDHEBQ-UHFFFAOYSA-N	416.506	4.927	50	20	HJGD	
N#CC1=CCN(C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)CC1	760003947	PXGBEBCPBBHEQA-UHFFFAOYSA-N	405.885	4.670	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)c1cc2ccccc2o1	762448500	IECYJIUYPAJNEX-FUHWJXTLSA-N	411.502	4.718	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2OC(F)F)c1C	762525467	SIZAFFDFNOMRHC-DHDCSXOGSA-N	423.847	4.552	50	20	HJGD	
O=C(NCCC(=O)N1CCCCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	762974252	GYCRGHCGFBMNDZ-UHFFFAOYSA-N	401.401	4.868	50	20	HJGD	
Cc1cc(Cl)ccc1C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	765408598	ANPSZASSLRMVMP-UHFFFAOYSA-N	422.259	4.952	50	20	HJGD	
COc1cc(/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)ccc1[N+](=O)[O-]	766777927	IAJZTYLCZHDUIJ-NTEUORMPSA-N	412.808	4.954	50	20	HJGD	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNc3nc4ccccc4[nH]3)cc12	768493718	BLALBJOTQPNZET-UHFFFAOYSA-N	422.901	4.682	50	20	HJGD	
C[C@@H](c1ccccc1)n1ccc(NC(=O)NNc2ccc(F)cc2Br)n1	770068486	YWFIOUAZJCTRLK-LBPRGKRZSA-N	418.270	4.543	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NNc1cccc(Cl)c1	775570358	ZAADSGRGOJMDBJ-OAHLLOKOSA-N	400.910	4.812	50	20	HJGD	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NNc2ncc(Cl)cc2Cl)c1	775623375	JHXWOFCLTDCXAI-AREMUKBSSA-N	415.346	4.584	50	20	HJGD	
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	776488644	PLLKTYVIAWHQIM-ZBXXMNEPSA-N	419.573	4.923	50	20	HJGD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777976541	WCTVIGXOLZSUDU-MCIONIFRSA-N	421.453	4.826	50	20	HJGD	
CCC(CC)[C@H]1C[C@H](NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CCO1	778756055	JGMNDBWFZVHAOC-FGZHOGPDSA-N	424.545	4.673	50	20	HJGD	
CN(C[C@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782984845	UYGLZMZNXNOSLX-BXUZGUMPSA-N	409.442	4.516	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(Cl)o1	783461481	RIKDTUFNRSDRTL-UHFFFAOYSA-N	411.757	4.709	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1ccc2oc3ccccc3c2c1	785154838	RMEAZLURPNPUSG-UHFFFAOYSA-N	410.433	4.524	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OC(F)F)cc1	787182443	HRNQKQUGKJXKHU-ZENNRRHLSA-N	406.816	4.734	50	20	HJGD	
CCN(CC)Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)cc1	787507538	PAJIUZFVYJHPAL-WQZUMXOESA-N	422.573	4.700	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3cccc4cnccc34)ccc2n1Cc1ccsc1	788513502	QCEJUZPGKUDAKP-UHFFFAOYSA-N	413.506	4.760	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccc(-c2ccc(Cl)cc2)s1	788561297	BOHDYCDAEOOMPF-UHFFFAOYSA-N	413.915	4.739	50	20	HJGD	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NNc1ccc(F)c(F)c1F	790804201	KOTXBJHIBGZZSK-UHFFFAOYSA-N	415.293	4.843	50	20	HJGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2Cl)c1	797303206	INMQDPZFFFRUFI-MOSHPQCFSA-N	412.917	4.757	50	20	HJGD	
N#C/C(=C\c1csc(Br)c1)C(=O)Nc1nc(-c2ccncc2)cs1	913617577	KSBUBBJQEKOAPH-LFYBBSHMSA-N	417.313	4.575	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2csc(-c3cccc(Cl)c3)n2)c(C)c1	915595285	DCQHMDGGOYOBHA-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
CCCn1c(C=NNC(=O)c2sc(-c3ccccc3)nc2C)nc2ccccc21	917540477	RQGOPTMPRPOFRK-UHFFFAOYSA-N	403.511	4.642	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl	917994505	RUPXEUOVXVABLR-UHFFFAOYSA-N	412.276	4.632	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(-c3nccn3C)c2)c(C)n1CC(C)C	918648447	WFPLCKLOIBBJRY-MTJSOVHGSA-N	401.514	4.707	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)NCC2CCCCCCC2)c(-c2ccccc2)n1	918665821	JLDCJCMIJDGUIE-JWGURIENSA-N	415.541	4.847	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccnn2Cc2ccsc2)c1C	1115815832	QUKIYKNWLJTLRJ-UDWIEESQSA-N	407.543	4.757	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)/C(=C\c1ccc(F)cc1)c1cccs1	1317720425	ZIFJEASIVUJOIF-VBKFSLOCSA-N	400.862	4.542	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)CCC1)[C@@H](F)Cl	1786654630	NKNOVLBPZHHTFN-GOSISDBHSA-N	418.871	4.526	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCBr)cc2)CCC1	1787673073	HGPUXVAOWAWKHZ-SFHVURJKSA-N	419.363	4.674	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1sccc1Cl	1788587688	TXHSJUNDMLELBV-CQSZACIVSA-N	401.290	4.684	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1	1826526419	HVPHFTHSWFSRIJ-WYCPQIHASA-N	416.993	4.727	50	20	HJGD	
Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)cc1F	1829964126	TVPUXUOQANVLET-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)CC1	1832401612	HRPULDCKBUAYLV-MZKRTTBSSA-N	409.014	4.760	50	20	HJGD	
Cc1ccc(NC(=O)CSCC(=O)NN(c2ccccc2)c2ccccc2)cc1	36725122	FTDUUVRDFULTRL-UHFFFAOYSA-N	405.523	4.536	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c2c(c1)C[C@H](C)O2	728438018	LWPIAYKFHODYIF-ODYDIQAQSA-N	403.265	4.871	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1C	731332113	DIXMYUDHKTYJIL-HDAKKWKLSA-N	422.554	4.691	50	20	HJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(Br)nc1	732838640	VXQDXAWKPRMBFR-UHFFFAOYSA-N	418.316	4.728	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2nccc3sccc23)cc1OCC	734249857	KBBRJYJTKLKXLN-UHFFFAOYSA-N	405.907	4.894	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(COC3CCCC3)cc2)c1C	739668330	BBQGPQVHFQRIOF-PXLXIMEGSA-N	421.541	4.756	50	20	HJGD	
COCc1ccccc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	742005576	BJWJHXPTIAFTQX-UHFFFAOYSA-N	404.091	4.659	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H]2CCc3ccc(F)cc32)c(C)n1C[C@@H]1CCCO1	747879465	OQNJSWHNVCPOSM-RCYROKMJSA-N	408.473	4.561	50	20	HJGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1ccccc1Oc1ccccc1	747989101	WXBVXADRNZBUNG-UHFFFAOYSA-N	423.476	4.577	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1csc(-c2ccc(Cl)c(Cl)c2)n1	748006048	YRXPLOICTYKGIB-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3cccc(F)c3)c3cnn(C(C)C)c3n2)c(C)o1	748088519	AYVZBLOTMGEAPU-UHFFFAOYSA-N	407.449	4.785	50	20	HJGD	
CC(C)Cn1ncc2cc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cnc21	748156270	FRVKATZEHNAPLR-UHFFFAOYSA-N	412.708	4.804	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1c(F)cccc1F)c1ccccc1Cl	748171718	ZJRZRPNDJIJQGX-UHFFFAOYSA-N	407.829	4.689	50	20	HJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	751620452	URCSJTJTMMSEIS-UHFFFAOYSA-N	410.260	4.607	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NNc1cccnc1Cl	754475699	RIVIAZYEMJQKPC-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)Cc1ccccc1F	754704960	KBQCYHHTGJGJPH-UHFFFAOYSA-N	412.896	4.540	50	20	HJGD	
O=C(NNc1nc(O)c2ccccc2n1)c1ccc(-c2ccc(Cl)cc2)cc1F	758298321	HFSCJWFEAUJWRJ-UHFFFAOYSA-N	408.820	4.552	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)c(C)c1	760303755	UKQLZXAJBBHKIR-UHFFFAOYSA-N	407.436	4.534	50	20	HJGD	
COC(C)(C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762666220	OGSDWSXCXMETDB-SNVBAGLBSA-N	404.401	4.602	50	20	HJGD	
COc1cc(C(=O)NNc2c(Cl)cccc2Cl)cc(OC)c1Br	763616108	OXDNQYDNHFZUPH-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@@H](CCO)C1CCOCC1	764726211	RNXFPFWCJVPQNW-AWEZNQCLSA-N	404.401	4.643	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)ccc1OC	765612731	DLBMTBCJMVLICG-JYRVWZFOSA-N	403.232	4.829	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(OCc2ccccc2F)cc1	767126505	CIMZZIZTQHIZOQ-UHFFFAOYSA-N	401.441	4.579	50	20	HJGD	
COCCOc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1Cl	769980425	AKGRLUJAGONCKC-UHFFFAOYSA-N	403.788	4.533	50	20	HJGD	
O=C(Cc1cccc(OCC(F)(F)F)c1)NNc1ccnc2cc(Cl)ccc12	770951537	IFOWYAJPNHJXBB-UHFFFAOYSA-N	409.795	4.515	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	771291642	WGPNICRTEOAVHI-MRXNPFEDSA-N	406.461	4.774	50	20	HJGD	
COc1cc(/C(C#N)=C\C2=Cc3cc(Br)ccc3OC2)ccc1[N+](=O)[O-]	774563177	XUJHOCJDIYWVMF-CHHVJCJISA-N	413.227	4.749	50	20	HJGD	
CSc1ccccc1COC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	781221706	WLPRTCYGFAFCAL-OCBOALCKSA-N	410.539	4.656	50	20	HJGD	
CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(OCCBr)c(Cl)c2)cc1	781552980	HAAMWNKPRGZKCN-WAPJZHGLSA-N	422.706	4.968	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1ccccc1Oc1ccc(Cl)cc1Cl	781818564	AJHFYHWLCGJUMF-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(S(F)(F)(F)(F)F)cc1	782974598	VUCCJZDTDOHHSW-UHFFFAOYSA-N	417.377	4.551	50	20	HJGD	
CC(C)[C@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F	785362170	COIOZZALGDRXEC-BAILOTOSSA-N	416.399	4.819	50	20	HJGD	
N#CCCCN1C(=O)CCc2cc(NC(=O)CCCC[C@@H]3CCSS3)ccc21	787352654	NYTSSSDPYGWEND-GOSISDBHSA-N	417.600	4.922	50	20	HJGD	
CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)CC2	788019226	JRJLBSGMSCRCHD-FGZHOGPDSA-N	419.682	4.960	50	20	HJGD	
Cc1csc(SCc2c(C(=O)NNc3ncccc3C)oc3ccccc23)n1	791220797	MYHCAERZCSPVAZ-UHFFFAOYSA-N	410.524	4.950	50	20	HJGD	
Cc1ccc(C)c(Sc2ccc(NC(=O)NNC(=O)c3cccc(C)n3)cc2)c1	797608225	DYSRVCRXSFPXBG-UHFFFAOYSA-N	406.511	4.625	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	806183398	SBGYTDMDRVAXIA-UHFFFAOYSA-N	420.429	4.696	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNc2c(C)cccc2C(C)C)c1C	812766174	JUPAEDRIIDHBAN-UMUMUWHJSA-N	408.546	4.794	50	20	HJGD	
Cc1cccc(Br)c1C(=O)NNc1ccc(Br)cc1Cl	813494986	JTSHKVOVOKTGFX-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
CCc1cccc(C)c1NC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	849206036	YPFYNOQOFGQWRU-UUYOSTAYSA-N	421.541	4.721	50	20	HJGD	
CNC(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1	902088593	TXFCCBAVKIYDDO-UYRXBGFRSA-N	419.529	4.907	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2-n2cncn2)c(C)n1C1CCCCC1	914452317	NTZBKOWBLOEHPO-DEDYPNTBSA-N	414.513	4.737	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3ccccc3c2)c(C)n1C[C@@H]1CCCO1	914482453	FASQINOOBCUPCZ-BZNKKWMXSA-N	413.521	4.661	50	20	HJGD	
CCCN(C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C)[C@H]1CCc2ccccc21	914512167	JXPGNRBESSLALU-FOOJEKODSA-N	405.542	4.584	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ncc(-c3ccccc3)s2)c1C	914872268	KJNBQUHDAYPQDU-VBNMEBLOSA-N	420.538	4.982	50	20	HJGD	
CN(Cc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1)C(=O)C(F)(F)F	915073049	VPLHHKATLDRXTM-OAHLLOKOSA-N	420.522	4.860	50	20	HJGD	
CCCCc1ccc([C@H](NC(=O)NNC(=O)c2ccccc2)c2cccs2)cc1	916202445	CAPAMIMTBQOWND-NRFANRHFSA-N	407.539	4.824	50	20	HJGD	
COc1ccc(Cl)cc1C=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	917531708	BOEWGDTXLPHCSO-UHFFFAOYSA-N	416.868	4.723	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ccc(Br)cc1	932523410	UFDUFHJSVDZPSA-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cnn1C	1251798638	KFJSKRUIYRJYHO-SMLKNPDNSA-N	421.932	4.574	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC#N)cc2)c1C	1337084396	NTMCVRNLLWIXOF-QNGOZBTKSA-N	410.477	4.851	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cc2sccn2c1	1788413847	MZACWKLTZRDTPG-UHFFFAOYSA-N	422.337	4.552	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3OC)cc2)CCC1	1792073458	ZGWFOJZDSSKMBF-SFHVURJKSA-N	418.896	4.599	50	20	HJGD	
CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)Cl)CC1)c1ccccc1	1827603686	CZFONQKDUPWYCZ-ACRUOGEOSA-N	422.972	4.580	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1csc(-c2ccc(F)cc2)n1	17699588	QQSHBEDBRTWVSK-OQLLNIDSSA-N	423.469	4.861	50	20	HJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)c(F)c2)cc1	727263942	KNARVRXPIBZSBQ-HDAKKWKLSA-N	407.489	4.721	50	20	HJGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	728600790	SYNAUHGDEOTWLT-GFCCVEGCSA-N	421.297	4.793	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)c1ccc(CSc2ccccc2)cc1	730228296	HXJVJVURFMWPOV-UHFFFAOYSA-N	413.502	4.602	50	20	HJGD	
O=C(CCCCOc1ccc(Br)cc1)NNc1cc(F)c(F)cc1F	734551594	HGZWOISZBGRHHC-UHFFFAOYSA-N	417.225	4.559	50	20	HJGD	
Cc1nc(-c2ccc([C@H](C)NC(=O)NNc3cc(F)c(F)cc3F)cc2)cs1	734658976	YAIQFIYCTSNRKT-JTQLQIEISA-N	406.433	4.923	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2(c3cccc(Cl)c3)CC2)c(C)n1C[C@H]1CCCO1	740810730	WTHXXMAFHZLANE-BHSBJAHRSA-N	423.944	4.650	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1	743300901	NBBWILUBMYQYPG-DLBZAZTESA-N	424.353	4.513	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H](Cc1ccccc1)c1cccs1	743628357	QIMUIBRUYDJYKB-NRFANRHFSA-N	415.518	4.829	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c2ccccc2n1	745876556	QOAIPGHJLBPSLB-XMLVGPMBSA-N	422.916	4.538	50	20	HJGD	
COCCN(CCP(=O)(c1ccccc1)c1ccccc1)[C@@H](C)c1ccccc1	746149494	CRAUIONEYMVUOS-QFIPXVFZSA-N	407.494	4.710	50	20	HJGD	
COc1ccc(NNC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1	746883991	YCFPKRYIHWWYHH-UHFFFAOYSA-N	412.902	4.814	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)n1	747981984	OKULJHHUVADEBJ-UHFFFAOYSA-N	421.913	4.986	50	20	HJGD	
O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NNc1ccccc1Cl	748318467	PPSAWHSCLJXSCY-UHFFFAOYSA-N	410.886	4.779	50	20	HJGD	
O=S(=O)(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(CCCCl)cc1	751269071	DTUGTSLMIRNCOF-UHFFFAOYSA-N	407.841	4.600	50	20	HJGD	
Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3ccc(CCCCl)cc3)cc2F)n1	751272748	RKFZAMGYABMVLM-UHFFFAOYSA-N	421.925	4.600	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNc2cc(Cl)ccc2Cl)c1C	752808935	ZIKLSCDAWADQPH-MJOIQJIUSA-N	421.328	4.669	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cc(-c2ccccn2)ccc1Cl	754880245	DUBJWWZGQLXYQW-UHFFFAOYSA-N	420.683	4.784	50	20	HJGD	
O=C(Nc1cccn(Cc2ccccc2)c1=O)NN(Cc1ccccc1)c1ccccc1	755853477	DXOHXQJNQDLYSG-UHFFFAOYSA-N	424.504	4.640	50	20	HJGD	
Cc1nc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)no1	759514774	ITSMYYIMIIGSSC-NGWPFTMJSA-N	410.861	4.650	50	20	HJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3ccc(OC(F)(F)F)cc3)c12	761588024	BFSYFHLEWGSOTR-UHFFFAOYSA-N	420.391	4.879	50	20	HJGD	
O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762518920	TVFFWAAAOWHGCK-UHFFFAOYSA-N	406.332	4.579	50	20	HJGD	
C[C@H]1SCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1C	762658556	MXWJYUYRIJUHKC-NXEZZACHSA-N	404.426	4.635	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@H](c1cccc(Cl)c1)C1CCCC1	771563271	VZFZQWYBERUDTR-NRFANRHFSA-N	422.916	4.764	50	20	HJGD	
CCN(CC)CCOCCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	775777607	QUWSSMCXAGCAOL-UHFFFAOYSA-N	405.433	4.824	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(Br)c(C(F)(F)F)c1	777463986	BGXRXHGVFRVVNW-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3ccccc3OC(F)(F)F)cc(C3CC3)nc21	779208905	GEAUJWXNEVDIDF-UHFFFAOYSA-N	419.407	4.545	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cccc(F)c1Sc1ccccc1	781335911	XGNXXTNVUXWPRX-UHFFFAOYSA-N	406.442	4.784	50	20	HJGD	
Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782984073	XGGACYHLOQCSPS-SECBINFHSA-N	420.425	4.858	50	20	HJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)ccc1OC	787153873	GTMJQZFEHDPWGZ-CHXORGPNSA-N	408.498	4.665	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	787325896	NHRVFTILYUKTSX-KVVHSQDJSA-N	419.481	4.756	50	20	HJGD	
CC[C@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(F)(F)F	787959059	JBBVSSXUZZNOSZ-VIFPVBQESA-N	400.291	4.740	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)c(-c2ccncc2)n1	788353994	DFZMKBNRRYSRKQ-PXNMLYILSA-N	422.275	4.955	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)Cc1sc(SC(F)F)nc1C	793709764	FMXKBPPQGFIYLB-UHFFFAOYSA-N	422.320	4.523	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1ccc(OC(F)F)cc1	793709945	GYAYGKLSCGZIMC-UHFFFAOYSA-N	407.417	4.700	50	20	HJGD	
CC(C)(C)[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1	794343229	UOXUSKSSYDMBBT-GFCAVMEOSA-N	415.541	4.655	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(OC(F)(F)F)cc1	794760258	LNVALJAWKKXJFB-UHFFFAOYSA-N	405.401	4.781	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc(Br)c1O	809147193	YHFXERLSBPCYIR-PXNMLYILSA-N	400.272	4.960	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1nc2ccccc2cc1Br	809587572	PPONZVWRAAVPMD-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(CCc2ccccc2)C2CCCC2)c1C	914519302	ZMTWJPQRDHMFPC-MOHJPFBDSA-N	419.569	4.672	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)c3cccc(OC)c3)o2)cc1	915861834	BWCNVEHTQUUXDL-RGEXLXHISA-N	401.418	4.922	50	20	HJGD	
CCC[C@@H](C)NC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	915887340	YTCIZIFTMMBGHE-QGZVFWFLSA-N	405.498	4.551	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)C[C@@H](C)C3CC3)cc2)cc1	920439145	KUAZQEBVTAJYSU-MRXNPFEDSA-N	400.544	4.522	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cc3ccccc3s2)c(C)n1C[C@@H]1CCCO1	920473690	VNXOCRKAICGOLJ-IOAQBMTJSA-N	419.550	4.722	50	20	HJGD	
CCCCc1nc(COC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)no1	920510211	WMUBLLQYNUXFLT-CPNJWEJPSA-N	410.518	4.986	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1C	920814526	IOOLAYMZTUOMEV-ZXGRHBPESA-N	417.553	4.898	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2cccc(C(=O)O)c2)c1)C(=O)c1ccc(F)cc1	1318584289	LPHLJAISPVTFHS-JAIQZWGSSA-N	401.393	4.893	50	20	HJGD	
COC(=O)N1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	1321074258	IJPCAFXLHBCFND-UHFFFAOYSA-N	403.373	4.650	50	20	HJGD	
O=Cc1cccc(OCc2cccc(C(=O)NNc3ncc(Cl)cc3Cl)c2)c1	1324138197	DXASNRUXORQRPS-UHFFFAOYSA-N	416.264	4.537	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)n(C)c3C)CCC2)cc1	1786445102	RWUWACCOEHHKTL-FQEVSTJZSA-N	415.965	4.797	50	20	HJGD	
O=C(/C=C/c1ccc(F)cc1F)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1786588866	HWPDBKPVUQZAJT-VZJZHNIPSA-N	422.834	4.647	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)CCC1	1789276002	WKYOBRCBJPTGMF-SFHVURJKSA-N	424.932	4.718	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCBr)CCC3)cc2)cc1	1790315654	ZFXZSNQQNMBRJM-UHFFFAOYSA-N	415.331	4.528	50	20	HJGD	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)[C@@H](F)Br)cc2)CCC1	1790539052	PMJMWCAASIFHHH-QGZVFWFLSA-N	411.315	4.557	50	20	HJGD	
CC(C)(C)CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Cl)CC2	1825498309	OMHAISFAVNKNKC-BLLLJJGKSA-N	417.978	4.586	50	20	HJGD	
CCCCNc1nnc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)s1	102067547	KRIOWIKCFBBKTI-VSORXJBLSA-N	417.585	4.753	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc(OCC#N)c2)c(C)n1C1CCCCC1	261413191	LINHWYKOLQYWCI-JCMHNJIXSA-N	416.525	4.736	50	20	HJGD	
CC(=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1sc(C)nc1C	726737387	FHUMXKWHWOZNKY-UHFFFAOYSA-N	409.540	4.623	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)c1	727497773	MHBBYRYTRSSSMH-QBFSEMIESA-N	421.522	4.567	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1cc(Cl)cc(Cl)c1O	730571029	QPEPRMMYTGDFEM-UHFFFAOYSA-N	406.294	4.515	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	730596945	KIWJAGDILJIFQN-UONOGXRCSA-N	414.745	4.768	50	20	HJGD	
CC1(C)CN(C2(CNC(=O)CCCC[C@H]3CCSS3)CCCCC2)CCO1	731199598	UCYPREAGDGXFIX-SFHVURJKSA-N	414.681	4.630	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1	732614155	NUTHKJAZPBTONH-GOSISDBHSA-N	421.609	4.873	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(CC(F)(F)F)C1CC1	732715618	ZNBMQVLOTLMSHJ-XFXZXTDPSA-N	421.400	4.784	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1	734247593	RKRCYKOZNLERQM-UHFFFAOYSA-N	414.252	4.591	50	20	HJGD	
O=C(CCC(=O)c1ccccc1)NNc1c(Cl)cc(Br)cc1Cl	742133214	NRXUUAAFICOTNO-UHFFFAOYSA-N	416.102	4.862	50	20	HJGD	
Cc1ccoc1C=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	743422529	ABIYXGVXWAWJPN-UHFFFAOYSA-N	409.445	4.666	50	20	HJGD	
C[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CCCCC1	743925051	YWASZXJOMFLKDH-DIFFPNOSSA-N	422.900	4.929	50	20	HJGD	
CC(C)c1csc(/C(C#N)=C/c2cn(C)nc2-c2ccc3c(c2)OCCCO3)n1	747437221	RNKCKXAWOHLJEL-CXUHLZMHSA-N	406.511	4.892	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)NCc2ccc(Sc3ccccc3)cc2)cc(C#N)n1C	747443379	GAABBFVHKZZLPW-UDWIEESQSA-N	412.518	4.580	50	20	HJGD	
CCCOc1cn(-c2ccccc2)nc1C(=O)NNc1ccc(Cl)cc1Cl	748017571	CGQMANOTAOZURY-UHFFFAOYSA-N	405.285	4.725	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccc(C2SCCS2)cc1	748173660	HZKLCEMYDRLBOZ-UHFFFAOYSA-N	413.337	4.824	50	20	HJGD	
COc1cccc(C2CCN(CCP(=O)(c3ccccc3)c3ccccc3)CC2)c1	748316883	SIALRQLKTWJZPV-UHFFFAOYSA-N	419.505	4.889	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)n1	748337457	BWRUIBKPLNAEEG-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3ccc(OC(F)F)cc3)c(C(C)(C)C)n2)cc1	748637049	GHPWGHVQJYGIMS-UHFFFAOYSA-N	414.456	4.837	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1ccc([N+](=O)[O-])cc1Cl	748726805	SYCRBPSALUYIJL-UHFFFAOYSA-N	423.281	4.711	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(SCc2csc(C)n2)cc1	751170217	MBZGHWGYZYCOLI-UHFFFAOYSA-N	416.480	4.880	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c1C	752001701	JQGAAHKJIQLFQF-FPXKJXHESA-N	409.534	4.730	50	20	HJGD	
CCn1nccc1C=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	753693084	OJASZAIXKIHOCV-UHFFFAOYSA-N	421.551	4.569	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)NNC(=O)c2cc3ccccc3o2)cc1	755570462	FYWNCFFOVQYCKI-UHFFFAOYSA-N	417.421	4.700	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OC/C=C\c2ccccc2)c(-c2ccccc2)n1	761401735	NEMBJFLHVBDFPX-KEMSESEUSA-N	408.461	4.627	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1COc1ccccc1	768243410	FAALJQKIFMFZEQ-UHFFFAOYSA-N	403.394	4.677	50	20	HJGD	
CSc1cc(/C(C#N)=C/c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)ncn1	773177672	WZGAMHBYAJURSH-GIDUJCDVSA-N	401.417	4.526	50	20	HJGD	
N#CSCCCNC(=O)c1sc2cccc(F)c2c1COc1ccccc1	773585435	NPYLPQUBZYRTFB-UHFFFAOYSA-N	400.500	4.954	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(-c2ccco2)nn1-c1ccccc1	775269321	HYKRYJLCLYNDGT-UHFFFAOYSA-N	414.252	4.591	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(Sc2ccccc2Cl)nn1	777480298	XCQFNQDSAADRCP-UHFFFAOYSA-N	421.913	4.895	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)C(=O)Nc1ccccc1-c1c(F)cccc1F	778728591	STOCNIZVVQWYIW-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1cccc(OC(F)F)c1	779522630	BUMZRVUQEXIVOC-SNVBAGLBSA-N	405.323	4.574	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccc(Cl)nc2C(F)(F)F)cc1	787604069	DAZUMYNGTIYISE-NTEUORMPSA-N	410.779	4.803	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3ccc(F)cc32)c1C	794056710	AUGCMSWBBKFKCU-TWIFNLRZSA-N	409.505	4.552	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1	805381381	FVAYJNVNPGMAOQ-UHFFFAOYSA-N	406.373	4.607	50	20	HJGD	
COc1ccc(NNC(=O)c2cccc(-c3csc(C)n3)c2)c(C(F)(F)F)c1	816703923	ZDAVGLKMVBQRBL-UHFFFAOYSA-N	407.417	4.903	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc2ccccc12	915903078	WFAVEJPNQYSFFU-LBPRGKRZSA-N	402.281	4.852	50	20	HJGD	
CCCC(=O)Nc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1	916070503	NLBMRVBGADTBJY-XKZIYDEJSA-N	420.557	4.723	50	20	HJGD	
CC(C)CC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1	916342561	FCNBXOPSSOVCMI-UHFFFAOYSA-N	404.514	4.823	50	20	HJGD	
Cc1ncc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)s1	916506447	GYLWETMKHLBORR-ZDLGFXPLSA-N	408.502	4.564	50	20	HJGD	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cccc(OC)c1	916596766	IDDKQWUCRDPUGO-ZAODVUJUSA-N	406.482	4.686	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCCSc2ccc(Cl)cc2)c1C	916615146	OBWNGKYZHBCZQP-AQTBWJFISA-N	418.946	4.647	50	20	HJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])c(C)c2c1	917215129	ZSARSGIJTKKKGS-UHFFFAOYSA-N	415.833	4.581	50	20	HJGD	
CC(C)CCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)CBr)CCC2)cc1	1791251830	ULGHPBOOIOUAMT-OAHLLOKOSA-N	409.368	4.588	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)cc2)CC1	1831519787	YXFBPJSFWAEMNB-FCHUYYIVSA-N	419.009	4.565	50	20	HJGD	
Cc1nc2ccc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)cc2s1	7670257	ABYFTKDKQRJUNL-CYEGBWLXSA-N	420.538	4.748	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)C(=O)Nc3ccccc3F)c2Cl)cc1	7745379	GWTXQZQHISHXGX-GZTJUZNOSA-N	408.864	4.886	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C)c1ccc(Cl)s1	733935727	BOUWBQKLYUVVMK-YTBHAWNYSA-N	405.951	4.641	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCc2nc3ccccc3n2C(C)C)c1C	735828714	ASHFEWIGRWUVAC-QNGOZBTKSA-N	417.557	4.711	50	20	HJGD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NNc1c(F)cc(F)cc1Br	741980846	USDBIDLAERWFOV-UHFFFAOYSA-N	414.637	4.548	50	20	HJGD	
COc1cc(C)sc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	742006891	UOCMFUBGTSXIKW-UHFFFAOYSA-N	410.120	4.891	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cnc(-c2ccccc2Cl)s1	748021719	JDDFLSNKIITTKD-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
Cc1nc(CCC(=O)NNc2ccc(F)cc2Br)oc1-c1ccccc1	748073776	YMQRXKULXNEEBI-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
O=C(CCc1nc2ccccc2n1-c1ccccc1)NNc1ccc(OC(F)F)cc1	748649065	CEQVUPYWSOKFOI-UHFFFAOYSA-N	422.435	4.703	50	20	HJGD	
O=C(NCc1ccc(Oc2ccccc2)nc1)NNc1ccccc1C(F)(F)F	749420884	MPXWVMZJTWVUDO-UHFFFAOYSA-N	402.376	4.719	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1csc(-c2ccc(F)cc2)n1	767168537	MWNKZXJQDDVZBA-UHFFFAOYSA-N	403.479	4.721	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNc1c(Cl)cc(F)cc1Cl	768008127	UAUXLQIONFGWSI-UHFFFAOYSA-N	411.239	4.831	50	20	HJGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)/C(C#N)=C1\Nc2ccccc2S1	768432115	IBPSBILZWRAOGH-QCQOHNBASA-N	401.444	4.737	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)c1csc(-c2cc(Br)cs2)n1	771699123	VNFBPSZNCGGPHB-UHFFFAOYSA-N	412.309	4.839	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCC[C@@H]1c1ncc[nH]1	777999744	QDMUSEXIRXFFAT-CYBMUJFWSA-N	417.425	4.983	50	20	HJGD	
CCC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778081190	XGLWKYKRHBOMDM-CYBMUJFWSA-N	407.426	4.866	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(c1)oc1ccccc12	783368504	XGSWVACXHRUDKV-UHFFFAOYSA-N	414.248	4.975	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(/C#N)C(=O)c3ccc(Cl)cc3F)cnc12	783712464	GNZMDOGWHXBRNK-WZUFQYTHSA-N	418.653	4.988	50	20	HJGD	
CC(C)n1c([C@@H]2CCCN2C(=O)/C(C#N)=C\c2ccc(O)cc2)nc2ccccc21	787403862	SNBDFWKDMKWLMI-JIDPPIHHSA-N	400.482	4.593	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1	787530340	NDUGGLQWDGTKSS-LZOLKVDOSA-N	418.440	4.635	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1C	790095527	KHYQGHZLBCGKLJ-WQRHYEAKSA-N	420.340	4.624	50	20	HJGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	793709767	FRPQOQXRGDEQMP-UHFFFAOYSA-N	400.360	4.606	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1c(OC(F)F)ccc2ccccc12	794782993	VNWMDCCUAGBZBE-UHFFFAOYSA-N	404.800	4.867	50	20	HJGD	
O=C(NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cc(Br)c[nH]1	799475285	ZUJYDXPQDFTPCO-NSHDSACASA-N	414.225	4.850	50	20	HJGD	
C[C@@H]1C[C@@H](C=NNC(=O)c2ccc(Cl)cc2Cl)CCN1C(=O)OC(C)(C)C	807956799	BZFHFMUTGQKVCE-OLZOCXBDSA-N	414.333	4.745	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cc(C#N)n1C	809302299	RNQPDAKVDQNFBN-APSNUPSMSA-N	422.897	4.632	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2csc(COc3ccc(C)cc3)n2)cc1	811560498	SZQUOTATRKTDEB-ODLFYWEKSA-N	404.491	4.989	50	20	HJGD	
Cn1nc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1C1CC1	811714800	WYILMKFPTAUIHJ-UHFFFAOYSA-N	403.398	4.756	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1	901388431	XTNRYZRCMIQKDT-GHRIWEEISA-N	418.522	4.841	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1	915983502	JPGKGGXCDWDSJX-LDADJPATSA-N	417.412	4.538	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1N1CCCCC1	916302335	TYMOKBYXJYKMLM-UHFFFAOYSA-N	410.568	4.529	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1cncc(Br)c1	1116390059	UUYKSZJZKYYSRP-UHFFFAOYSA-N	423.723	4.686	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(C(=O)O)c3)c2)cc1	1251694357	UKWPTTWBSSDPIX-MTJSOVHGSA-N	412.445	4.818	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(NC(=O)NNc2ccc3ccccc3n2)ccc1F	1321393275	CGTLXCWKHBQVRG-UHFFFAOYSA-N	411.437	4.870	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](CC)N(CC)CC)cc2)CCC1	1786447683	NKSFVXBUPKPOOT-UXHICEINSA-N	422.013	4.648	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C3(c4ccccc4F)CC3)cc2)CCC1)[C@H](F)Cl	1792279350	MFZIDAGNJUWNOO-SFHVURJKSA-N	418.871	4.526	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1	1824616350	KBWRRPDUASLYMO-YADHBBJMSA-N	419.009	4.944	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cnn(Cc2ccccc2Cl)c1	17700386	YOOBAVXQKFDWLY-WOJGMQOQSA-N	406.873	4.529	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	59324507	GFCLLHWHKVEDAE-LGMDPLHJSA-N	424.460	4.629	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1O	212639983	QJHVOVCGBXRNDG-SXGWCWSVSA-N	405.479	4.687	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c3cccnc3)c2C)cc1	303561267	IEVMOGSDWWOQFZ-PKIWBCANSA-N	401.466	4.709	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)cc1	732129829	PTDQSKXAPFZQEP-LZAZYHHXSA-N	407.514	4.517	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cs1)C1CC1	734305754	FDIAZEJBKJSDHV-YRNVUSSQSA-N	421.309	4.511	50	20	HJGD	
CCc1ccc([C@H](C)CC(=O)NNC(=S)Nc2cccc(Br)c2)cc1	738555631	DFGFGBBUYGUAMT-CYBMUJFWSA-N	420.376	4.523	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3ncccc3C(F)(F)F)cc12	740100920	SSBVTJNQAONFLC-UHFFFAOYSA-N	417.416	4.566	50	20	HJGD	
O=C(NNC(=O)c1nc(Cl)ccc1Cl)Nc1ccc(-c2ccccc2)cc1	743825976	MYXCYBSSZSJJAG-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)COC3)c(C)n1CCC(C)C	746553834	FWPCRTBIFYEWJB-JJFYIABZSA-N	420.509	4.514	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)n1	748338856	JLYYWORVSARGBI-UHFFFAOYSA-N	407.232	4.780	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	751579245	OGERRIKXSFPDDZ-TYSUYXETSA-N	405.473	4.694	50	20	HJGD	
COc1ccccc1C[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)C(C)C	754488103	GPPDYCXVJIWSHX-RUZDIDTESA-N	421.521	4.866	50	20	HJGD	
Cc1sc([C@@H](C)NC(=O)NNc2ccc(Cl)nn2)nc1-c1ccc(Cl)cc1	755322305	VLDFUCJBIVMTDL-SECBINFHSA-N	423.329	4.603	50	20	HJGD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762643071	WMHOZGPLVIMODX-NSHDSACASA-N	424.391	4.736	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1cc(Cl)ccc1OCc1cccnc1	763694670	IFADYMDOQSPROY-VCHYOVAHSA-N	420.852	4.670	50	20	HJGD	
CSc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	770195426	YNWOHNCWAYBUNW-RQRMZWKBSA-N	409.555	4.860	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1	773770600	IWUMEKMMNFRIHJ-UHFFFAOYSA-N	416.934	4.637	50	20	HJGD	
COc1ccc(NC(=O)NNc2cccc(Cl)c2)cc1NC(=O)OC(C)(C)C	775479142	DVSWTNRMSZXQMI-UHFFFAOYSA-N	406.870	4.844	50	20	HJGD	
CC(=O)N(Cc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1)C(C)C	775624179	UGPIERVAAUARKD-UHFFFAOYSA-N	408.424	4.611	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N(CCO)c1cccc(F)c1	777644736	NDZPOIUFTZSSFD-UHFFFAOYSA-N	421.384	4.671	50	20	HJGD	
O=C(O)c1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c(F)c1	782911725	AIVCNEOASYBRKE-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c(Cl)c1C	783651116	VDCAHXSUIFLBEM-UHFFFAOYSA-N	421.810	4.585	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1	786043891	BIOIABRDZWKJAJ-HMAPJEAMSA-N	421.522	4.626	50	20	HJGD	
CCCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	790165782	FNPBZGHYKKWUEK-LSCMLXDISA-N	407.558	4.967	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CCC[C@H]3CCOC)cc2)cc1	799866554	KULHYIIYRIIICM-IBGZPJMESA-N	410.514	4.587	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(Br)c1	812525582	GHIXENVDGSGMED-SNVBAGLBSA-N	412.209	4.586	50	20	HJGD	
O=C(CCc1cc(C(F)(F)F)ccc1Br)NNc1cc(Cl)ccn1	815983554	HDQWUBHAEHQEMT-UHFFFAOYSA-N	422.632	4.592	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(F)=C1CCCC1	816013367	MOBZWHZEWVMEMY-UHFFFAOYSA-N	409.373	4.947	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1	849210130	COBXFFVFHAIPBY-HQXXTQMQSA-N	424.500	4.740	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccccc3I)n2)cc1	915863059	RTLKGCWGZIXRBS-XNTDXEJSSA-N	413.218	4.714	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1	915982599	NQBNAFGQESZPHL-VUODPORTSA-N	410.399	4.675	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c2ccccc2n1	916518116	IOMKILIFIKFZOJ-OAQYLSRUSA-N	422.504	4.804	50	20	HJGD	
CCN(Cc1ccc2ccccc2c1)C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	920013887	HZEZWMBZZIOFEH-PCLIKHOPSA-N	415.537	4.860	50	20	HJGD	
O=C(CC1c2ccccc2Oc2ccccc21)NNC(=O)C12CC3CC(CC(C3)C1)C2	1317795881	VKYPKNZPECPPEA-UHFFFAOYSA-N	416.521	4.678	50	20	HJGD	
CC(C)c1ccc(-c2noc(CCC(=O)NNc3nccc4sccc34)n2)cc1	1318502333	RAUYKKDYBNPYSA-UHFFFAOYSA-N	407.499	4.546	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)c1C	1337490137	ZJSQVSRCIMOUPA-MUIAGPEESA-N	407.562	4.783	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cnc3Cl)CCC2)cc1	1790487300	MMJDWYYZNZKZDZ-INIZCTEOSA-N	424.303	4.639	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)[nH]n1	1820862207	VSTVSPKMLPXOQT-YFHUEUNASA-N	408.974	4.636	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)c(OC)c1	5199873	FWQGWSHFYRLSBL-LDADJPATSA-N	419.456	4.796	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1C	16181105	PEBWERMMAABOAM-UHFFFAOYSA-N	409.486	4.866	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccccc1F	16883867	BJELBLCTNXWCND-SFQUDFHCSA-N	419.383	4.982	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)c1C	107889698	GOLVIELTZZCIJP-FDJXOCGYSA-N	423.557	4.951	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(OCc3cc(C)c(C(=O)O)o3)cc2)c1	729937096	LJFRPJVCEQPGSB-WQRHYEAKSA-N	417.417	4.664	50	20	HJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNC(=O)C(C)(C)c3ccccc3)cs2)cc1	731178058	VAUASXOXPHRENK-UHFFFAOYSA-N	421.566	4.601	50	20	HJGD	
O=C(CCC(=O)c1ccc2ccccc2c1)NNc1nc(-c2ccc(Cl)cc2)no1	732978593	UQFCRHBGGJCHMJ-UHFFFAOYSA-N	420.856	4.649	50	20	HJGD	
Cc1c(COC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)oc2ccccc12	734290732	VOFCVWMPJODQBY-HNLWVNFGSA-N	418.493	4.989	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNC(=O)c3cccc4ccccc34)c2)cc1	741576589	WNUOXTQZZAGLMU-UHFFFAOYSA-N	407.429	4.579	50	20	HJGD	
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)CCCC[C@@H]1CCSS1	742111823	BCFFMLVXVGDQEA-GVDBMIGSSA-N	416.653	4.900	50	20	HJGD	
COc1cc(C)nc(NNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n1	746630142	GCKZRETUMRWXKR-UHFFFAOYSA-N	417.705	4.725	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cccc(O[C@@H](C)C(=O)O)c3)n2)cc1	746684741	TZQWMSKXKPXYGC-XGHPXPSOSA-N	406.463	4.735	50	20	HJGD	
COc1ccc(NNC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)cc1	746886127	HIBJFZXOPXFFMB-UHFFFAOYSA-N	410.905	4.560	50	20	HJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746889248	LYQSTUASJSBOIH-UHFFFAOYSA-N	406.367	4.873	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c(C)n1C[C@H]1CCCO1	747198063	SSNXQCOIRNHKPQ-KXYIHGBGSA-N	422.554	4.647	50	20	HJGD	
O=C(NNc1c(F)cccc1F)c1ccccc1SCc1cn2ccccc2n1	748175157	AZJHJFXYKDGIBL-UHFFFAOYSA-N	410.449	4.662	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1	748407868	MLBGNRKXGXRLQF-MRXNPFEDSA-N	405.458	4.537	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(Cl)cc(Br)c1	748710278	PTFDRCKAXAZQGT-UHFFFAOYSA-N	423.616	4.801	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(F)cc2Br)cccc1-c1ccccn1	755178729	IPAVGXJZLCHZEZ-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
CCCCSc1ccc(Cl)cc1C(=O)NNc1ccc(C(F)(F)F)nn1	755616692	YHVCJUDZDOENHJ-UHFFFAOYSA-N	404.845	4.798	50	20	HJGD	
C[C@H]1CN(CCCNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H](C)O1	762980317	OSSVQSVMMRMDAS-STQMWFEESA-N	417.444	4.965	50	20	HJGD	
CCNC(=O)c1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	769966572	QAFAWNQMZUCXIK-UHFFFAOYSA-N	401.681	4.545	50	20	HJGD	
COc1cc(C)c([C@H](C)NCCP(=O)(c2ccccc2)c2ccccc2)cc1OC	774941881	UQGKWJWSDQWDPT-FQEVSTJZSA-N	423.493	4.677	50	20	HJGD	
CC(C)Oc1cc(Br)ccc1C(=O)NNc1ncc(Cl)cc1Cl	775266280	JQBXIXWSDMRRGH-UHFFFAOYSA-N	419.106	4.695	50	20	HJGD	
Cc1cc(NC(=O)NNc2ncc(Cl)cc2Cl)ccc1NC(=O)c1ccco1	775566477	YNRVXVQGVWMLCO-UHFFFAOYSA-N	420.256	4.691	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ncc(Cl)n2C)c(C)n1C1CCCCC1	778979275	YABFLNHQYAFSKW-WOJGMQOQSA-N	413.953	4.563	50	20	HJGD	
CCC(CC)N(CCOC)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	783401188	QDEKCRBTDWAECV-UHFFFAOYSA-N	418.428	4.946	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1cccc(CSC(C)C)c1C	785157263	AMYMBYSURBUTDT-UHFFFAOYSA-N	422.554	4.575	50	20	HJGD	
CC(C)[C@H](NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C(=O)N1CCCC1	792874354	FLKHCLUKIIARAM-NRFANRHFSA-N	404.671	4.945	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2oc3ccccc3c2C)c1C	799426943	PTIAIXMIIBWCNI-UNOMPAQXSA-N	404.466	4.903	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	799755331	CJFRXDNCVYPKLA-UHFFFAOYSA-N	406.383	4.658	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cc(C#N)n1C	801588443	OJBABBFEYZTJGG-AUWJEWJLSA-N	407.886	4.528	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCOC[C@@H]1[C@H]1CCCO1	806421622	BKALNEPNEYJXSN-ZIAGYGMSSA-N	402.385	4.756	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cc1	817879757	OZIIOPYUYQAOEN-UHFFFAOYSA-N	407.417	4.985	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2cccc(F)c2)C2CC2)c1C	914489088	YIXNAYTVIIJOKG-RHLNUJDMSA-N	409.505	4.550	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2OC(C)C)c1C	916081631	VKAIDGBTRNWSQS-KDDDPWNHSA-N	423.557	4.884	50	20	HJGD	
Cn1ccnc1[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	916218865	VPQPEAPYPLJTRF-MRXNPFEDSA-N	424.719	4.796	50	20	HJGD	
O=C(NN=C/C=C\c1ccccc1[N+](=O)[O-])c1cc(-c2ccncc2)nc2ccccc12	916284594	NEXCCYXYJPCPMR-NADFZCFGSA-N	423.432	4.634	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	918100150	NCFHNVZMGSTOJV-QGZVFWFLSA-N	422.703	4.853	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCn2c(C)nc3ccccc32)c1C	921742313	BRERBMKZDFOLFB-JWGURIENSA-N	417.557	4.677	50	20	HJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	1116345715	FTWPWCWJXNWGSI-UHFFFAOYSA-N	400.822	4.784	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(F)c3)cc2)CCC1	1785952354	BLUIOPMZTPCMBW-KRWDZBQOSA-N	418.896	4.599	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccsc3)cc2)CCC1	1786943928	CSJKDQABFNWOTF-URPWPPKMSA-N	402.947	4.913	50	20	HJGD	
Cc1ccc2[nH]c(C(=O)NC3(c4ccc(NC(=O)[C@@H](F)Cl)cc4)CCC3)cc2c1	1788583899	GLJLARMUHHUQNB-LJQANCHMSA-N	413.880	4.758	50	20	HJGD	
Cc1cccc(COc2cccc(C(=O)NNC(=S)Nc3cccc(C)c3)c2)c1	28661535	UFDKCXSWNYPUPO-UHFFFAOYSA-N	405.523	4.514	50	20	HJGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	211184621	IHASORBVVOBPTR-YVLHZVERSA-N	413.458	4.920	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	303528841	GULNEJFUGAPRTN-UHFFFAOYSA-N	414.962	4.615	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2)o1)NNC(=O)c1c(Cl)cccc1Cl	727794894	VXNSPNZHXVOGCQ-UHFFFAOYSA-N	403.265	4.647	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)CCSc1ccc(F)cc1)c1csc2ccccc12	730066745	OWJQMPPCHPRCRW-CYBMUJFWSA-N	417.531	4.614	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)c3ccc(Cl)s3)s2)cc1	730557844	RXTTVNKSSYXAHP-UHFFFAOYSA-N	405.932	4.875	50	20	HJGD	
CNC(=O)c1ccc(COC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1	731373711	UBAOIAXDJMEJAW-HMAPJEAMSA-N	419.525	4.620	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1Br)NNc1cccc(C(F)(F)F)c1	733357474	DXHLPTMJPMABCT-UHFFFAOYSA-N	407.617	4.807	50	20	HJGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNc1ccc(Br)cc1Cl	733808437	QAYJNTRBXYJJHE-UHFFFAOYSA-N	408.658	4.855	50	20	HJGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cs1)C1CC1	734307324	XBNQFPABRDOKBQ-WDZFZDKYSA-N	421.309	4.511	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H](C(=O)NNc1cccc(Cl)c1)c1cccc(Cl)c1	740815617	VVOQHVWZMVREEK-MRXNPFEDSA-N	410.301	4.703	50	20	HJGD	
CNC(=O)c1cc(C)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	741198611	IBRUTLPMEIXRCG-ZHZULCJRSA-N	418.541	4.824	50	20	HJGD	
C=CCN(Cc1cccc(C#N)c1)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	745063819	LJAOZXHPXDGNDB-ZMOGYAJESA-N	400.526	4.754	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)NNc2ccc(Cl)nc2)ccc1OCCC(C)C	745644855	MLPLFTVNFPFONI-CQSZACIVSA-N	406.914	4.556	50	20	HJGD	
Cc1ccccc1-c1cc(C(=O)NNc2ccc(C#N)cc2)c2cnn(C(C)C)c2n1	748101750	BJUIMKQZFLZTPS-UHFFFAOYSA-N	410.481	4.616	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cn(C)nc1-c1ccccc1Cl	748751277	RQNHUXIYXUBVQZ-UHFFFAOYSA-N	419.710	4.568	50	20	HJGD	
Cc1cc(C(=O)NN=C2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c2ccccc2n1	753691883	CKIGSHTYTVRPFY-MRXNPFEDSA-N	402.454	4.580	50	20	HJGD	
Cc1nc[nH]c1C=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	755490690	HXESSQYGFIFKKB-UHFFFAOYSA-N	410.477	4.728	50	20	HJGD	
CCOc1cc(C(=O)NN=C[C@@H](C)c2ccc(F)cc2)cc(OCC)c1OCC	756870258	IZFVSHQDJJLIKU-OAHLLOKOSA-N	402.466	4.541	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(Br)c(Cl)c1	764318555	RLVHEJTXANEYTP-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H](CO)Cc1ccc(O)cc1	764725477	LNRDWNDNAABGOF-ZDUSSCGKSA-N	412.380	4.775	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1cccc(C(=O)NC2CC2)c1	769942398	MNLXKMNSDPLTQT-UHFFFAOYSA-N	413.692	4.688	50	20	HJGD	
C[C@@H](OC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1nc2ccccc2n1C(F)F	769981585	IKEZCKBKUGJEHQ-MSNRECKUSA-N	413.262	4.989	50	20	HJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(N4CCN(C)CC4)cc3)n2)cc1	771521175	RFBJEFMPXLVHKQ-QNGOZBTKSA-N	400.551	4.935	50	20	HJGD	
CC(C)(c1ccccc1)c1nnc(NC(=O)NNc2ncc(Cl)cc2Cl)s1	775606930	FWFLIEPTTFCYSG-UHFFFAOYSA-N	423.329	4.714	50	20	HJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)nn1-c1ccccc1Cl	776485783	ARXCRAIPVKVBIV-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNc1cc(Cl)ccn1	778451514	SMLIUHSPXIHFND-UHFFFAOYSA-N	421.309	4.768	50	20	HJGD	
C[C@H](Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CCS(=O)(=O)CC1	779049873	SWNRFRUTVFIPPJ-IINYFYTJSA-N	401.903	4.531	50	20	HJGD	
CC(C)Sc1cc(Br)ccc1C=NNC(=O)c1ccc(C#N)cc1	779772071	QFJQXMYOCWESTI-UHFFFAOYSA-N	402.317	4.585	50	20	HJGD	
C[C@](CO)(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1	782982050	UVRAYIYEXFLRLC-OAHLLOKOSA-N	417.421	4.530	50	20	HJGD	
CC[C@](C)(O)CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccccc1	784396663	BMUHBGNQDMBQFN-SANMLTNESA-N	421.521	4.664	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccnc(Oc2ccc(F)cc2F)c1	789887167	ASVDZCKFONNBPH-UHFFFAOYSA-N	409.314	4.928	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)c(Cl)cc2OC)c1C	792635582	SACMAPQKDRRRAV-OVCLIPMQSA-N	422.312	4.612	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[C@@H]1CCCOC1	794881874	FBTQTMPHRQZPDO-CCAPLTMGSA-N	412.829	4.943	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1ccc([N+](=O)[O-])cc1	797947489	DOLSCXJBSIDSME-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
N#C/C(=C/c1csc2ccccc12)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	810203672	CLJMDJXJRKWDED-PTNGSMBKSA-N	423.925	4.937	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1	812919980	BHXJMZMFMZNRPW-UHFFFAOYSA-N	408.424	4.559	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(Br)c2ccccc2c1	816663477	WHANQGGTJVRHEH-UHFFFAOYSA-N	400.232	4.576	50	20	HJGD	
CCOc1ccccc1OCC(=O)NN=Cc1c(Cl)ccc(Cl)c1Cl	818220842	MWHPAFIPWDZFIF-UHFFFAOYSA-N	401.677	4.575	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sccc3C#N)c2C)cc1	908107540	SCSGBRWAJHMQIF-XDHOZWIPSA-N	416.506	4.972	50	20	HJGD	
CCCOc1ccc(/C=C(/C#N)c2nc(O)c3cc(Br)ccc3n2)cc1	914600009	MYNFFUUOACZJKQ-UVTDQMKNSA-N	410.271	4.951	50	20	HJGD	
O=C(NNc1ccc(F)cc1)[C@@H](Oc1ccc(Br)cc1)c1ccccc1	918014282	QINZAELKGUQHQM-IBGZPJMESA-N	415.262	4.852	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)S(=O)(=O)c1ccc(Cl)cc1	1116001323	VGDCGASDHWPGJG-WOJGMQOQSA-N	413.838	4.637	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3)CCC2)cc1	1786012447	GNBUZQNWSIKSSX-UHFFFAOYSA-N	402.897	4.838	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(C)c2C)[nH]n1	1815317830	KAEBNFTXKAYEND-DOTOQJQBSA-N	422.982	4.801	50	20	HJGD	
CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)Cl)CC2)CC1	1831564583	RZJUIDBTFMEBIG-AFYVEPGGSA-N	414.993	4.603	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]1C1CC1	1847490689	VBVCOLGNHYPFMK-CMOCDZPBSA-N	423.041	4.984	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c1C	17666052	ZZKZGCMPICYTRX-VCHYOVAHSA-N	424.888	4.869	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C	63454581	SJNCJJBYRXKEGH-MFOYZWKCSA-N	402.479	4.868	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCOCC2)c(F)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	727267437	UDEPYGFTFMAHSG-OQLLNIDSSA-N	409.848	4.587	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	727497424	QIUBTWULZAJVNZ-UHFFFAOYSA-N	413.587	4.722	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2scnc2-c2ccccc2)c1C	727993392	SJGYBWUJJAKLMR-MBTVCVBTSA-N	420.538	4.982	50	20	HJGD	
CC1(C)Cc2cc(C=NNC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc2O1	729141241	VIWLTRGXCVPVIB-UHFFFAOYSA-N	422.488	4.774	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc(F)cc(Br)c1	729276652	JTDBOCMQYBCSFG-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1ncsc1CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	729406046	OTWYMGDYQBPUKA-RQZCQDPDSA-N	410.930	4.736	50	20	HJGD	
O=C(NC[C@H](O)C1CCCCC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	729554272	XWWWFTYLHJNYTI-DZGCQCFKSA-N	410.889	4.969	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccccc1-c1ncc(-c2ccccc2F)o1	730288539	QKCNCJYNCPCRJL-UHFFFAOYSA-N	424.435	4.875	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cccc(OCc2ccccc2C(=O)O)c1)c1ccccc1	732716045	GSYQBKHXZJQWSG-ZHZULCJRSA-N	412.445	4.534	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccn(-c3ccncc3)n2)c1C	733769771	OGGCRNBOIGTUBO-RCCKNPSSSA-N	422.492	4.529	50	20	HJGD	
COC[C@H]1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C1	739757793	VEJIMDWHQSWNRM-FVHJOOJJSA-N	413.521	4.649	50	20	HJGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	746770019	IEULTAYNQSQAQV-JDNHERCYSA-N	405.873	4.998	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1	746886278	JRBKUTRYEWRIDK-UHFFFAOYSA-N	415.497	4.753	50	20	HJGD	
Cc1cc(C(=O)NNc2ccccc2Br)ccc1NC(=O)OC(C)(C)C	748059687	ATILGVMBWCSCIF-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cc(OC)c(OC)c(OC)c1	748670892	YMEMQFYBGDESDY-UHFFFAOYSA-N	414.527	4.592	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(CNC(=O)C2CCCC2)cc1	752809708	AEBXGZHULPGIAM-UHFFFAOYSA-N	406.313	4.557	50	20	HJGD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NNC(=O)c1ccc2ccccc2c1	756546942	WCYOKQLOINEJTH-UHFFFAOYSA-N	418.497	4.599	50	20	HJGD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cc1	757422776	SVFMHHBBUSNDOH-INIZCTEOSA-N	407.422	4.643	50	20	HJGD	
C[C@@H](COc1ccccc1)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762638212	FYIXXMXNPASZCA-LBPRGKRZSA-N	424.391	4.866	50	20	HJGD	
C[C@@H](O)c1ccc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762655978	BINSNCZQNJOXQB-LLVKDONJSA-N	424.391	4.652	50	20	HJGD	
N#C/C(=C/c1sccc1Br)C(=O)Nc1nc2ccccc2nc1Cl	764886616	JOXYLWUVRUFJGT-CLFYSBASSA-N	419.691	4.653	50	20	HJGD	
C[C@H](OC(=O)[C@@H](Br)C(C)(C)C)c1nc(Cc2ccc(Cl)cc2)no1	766748045	WIHRZGCXMQHDDV-IINYFYTJSA-N	415.715	4.728	50	20	HJGD	
N#CC1=CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1	767120018	QOMQYYUTHNWSFW-NRFANRHFSA-N	417.336	4.616	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1Cl)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	767717391	LRYHEQPJHDBLOF-ZROIWOOFSA-N	420.271	4.515	50	20	HJGD	
CCOc1ccc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	772973078	YKPDSYXZQZSUHE-UHFFFAOYSA-N	424.391	4.998	50	20	HJGD	
CCc1nc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cs1	773237772	WHJGNDTVFFHATG-UHFFFAOYSA-N	415.409	4.618	50	20	HJGD	
COc1cc(/C(C#N)=C/c2cn(C)nc2-c2cc3ccccc3o2)ccc1[N+](=O)[O-]	774558328	BCZWEALTGIPGTE-CXUHLZMHSA-N	400.394	4.814	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1	774890944	FXMXXELJJHFAPF-CXUHLZMHSA-N	403.438	4.919	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H](CO)Cc1ccccc1	775474414	NTHAFGDOTCRBMS-CJNGLKHVSA-N	418.868	4.631	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc(C(=O)NC2CCCC2)cc1	775522935	BZONNGNKZKCAAF-UHFFFAOYSA-N	406.408	4.526	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1nnc(-c2c(F)cccc2Cl)s1	775902454	AUTDUBTYUBPYLD-UHFFFAOYSA-N	414.853	4.694	50	20	HJGD	
CC1(C)[C@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]2CCCO[C@H]21	782982660	YKGRBOLZBQVWEF-BFHYXJOUSA-N	421.453	4.826	50	20	HJGD	
CN(CCc1nccs1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782988435	SSDGBFYBJYZNMC-UHFFFAOYSA-N	408.439	4.664	50	20	HJGD	
Cc1occc1-c1cc(NC(=O)NNc2ccc(Br)cc2Cl)no1	786213816	HBJNCTVBKIIYTK-UHFFFAOYSA-N	411.643	4.808	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c[nH]c2ccccc12	786621075	QTPAMAFXMNBXAL-LLVKDONJSA-N	406.364	4.732	50	20	HJGD	
Cc1nc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)sc1Cc1c(F)cccc1F	787587801	UWSCMJCECUNTLH-ZROIWOOFSA-N	411.433	4.572	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)c(-c2ccncc2)n1	788363917	YVQRZERZUJNKBO-LDADJPATSA-N	409.474	4.863	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2nnc(-c3ccccn3)s2)cc1F	788560966	UGIWQIKLXUFHPQ-UHFFFAOYSA-N	423.448	4.611	50	20	HJGD	
COc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc(Br)c1OC	803190768	VZAJUGQGNQQKLU-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1ccc(Oc2cccc(Cl)c2Cl)nc1	817010547	GVZJTBFLCWAPHI-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3ccccc3OCc3ccccn3)cc2C1	819841050	OKBUJDRPPLZUKN-INIZCTEOSA-N	405.523	4.611	50	20	HJGD	
CCc1ccc(-c2nc(COC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)cs2)cc1	913286682	FHDJPKSMVFJGRV-OCKHKDLRSA-N	416.506	4.541	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccccc2F)C(C)C)c(C)n1C[C@@H]1CCCO1	914501669	LBTTVGTZEKKRRF-UWYGHVLSSA-N	423.532	4.767	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cn3cccn3)c2)c1C	914736468	NOAYXTNYDXUVLL-JCMHNJIXSA-N	401.514	4.696	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cc(C)n(Cc3ccco3)c2C)c1	915905278	FNROQDVNZNZYOH-UHFFFAOYSA-N	407.514	4.707	50	20	HJGD	
COCCOc1cc(C)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	917762188	MJNUDLYEWPMXJN-BKUYFWCQSA-N	409.530	4.640	50	20	HJGD	
CC(=O)Nc1c(C)ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1C	917827370	IXBZYSQJEXCVDT-SRZZPIQSSA-N	406.530	4.882	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)CCc2ccccc2)c(C)n1C[C@H]1CCCO1	918952696	KVDQAZCQHODZIK-JAINMRLISA-N	406.526	4.755	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CCc2ccccc2)C(C)C)c(C)n1C[C@@H]1CCCO1	1321589650	JDIIHACIGFYJCU-NHOMFQCRSA-N	419.569	4.671	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)CCC1	1789093640	ARERLXHTKJUIKO-LJQANCHMSA-N	409.917	4.933	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Br)CCC2)cc1	1789457880	DLYKQSSSGSAIJZ-YJBOKZPZSA-N	419.363	4.672	50	20	HJGD	
CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)[C@@H](F)Br)cc3)CCC2)CC1	1790534332	LDJURMXYYOKBGL-WMLDXEAASA-N	423.326	4.557	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2F)CC1	1824609429	AKICNNWNDBIAOV-UXHICEINSA-N	422.972	4.775	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc3cc(OC)ccc3c2)c1C	7167880	JYOWRSXVYZCWGC-YBFXNURJSA-N	402.450	4.760	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NCCc1ccccc1	11291759	GGURFDIVPYPAJN-SAPNQHFASA-N	403.463	4.589	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1	11387327	DYLINGGQTDCNMY-KGENOOAVSA-N	412.445	4.598	50	20	HJGD	
CC(C)(C)[C@H]1COC(Cc2ccccc2P(c2ccccc2)c2ccccc2)=N1	136047991	NLXOAOKBRNOSBF-XMMPIXPASA-N	401.490	4.831	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2c(F)cccc2Cl)c(C)n1C[C@@H]1CCCO1	213038383	PJUONSNRRBZIHG-BHEJFATLSA-N	416.880	4.727	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3ccc(OCC#N)cc3)n2)cc1	213038549	QXYPNRWBYHNZHV-UYRXBGFRSA-N	414.490	4.821	50	20	HJGD	
O=C(NNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)NC1CCCCC1	219625522	WAVHWEHUEKUUQR-UHFFFAOYSA-N	405.420	4.649	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(C(F)(F)F)cc2)c1C	302898571	SHXCXKSDYULNMP-SMLKNPDNSA-N	419.447	4.555	50	20	HJGD	
COc1ccc(CCCCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	727791359	BXSPUPDHURUZST-UHFFFAOYSA-N	409.313	4.566	50	20	HJGD	
N#Cc1ccc(OCc2ccc(C(=O)NNc3ccnc4cc(Cl)ccc34)o2)cc1	729514604	CJPGJTLBDZHXCU-UHFFFAOYSA-N	418.840	4.689	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1	733281639	WZOIAMIZDMQQAL-DTQAZKPQSA-N	420.856	4.867	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3c(C)noc3C)c2C)cc1	733763624	DIWOVZYWFJYDJX-YQODDJSKSA-N	402.498	4.792	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)[C@H](Sc1cc(F)ccc1F)c1ccccc1	733810793	BBNHANLZERLERJ-OAQYLSRUSA-N	422.460	4.885	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccsc1	737465235	JSLNVFJWBNFXJX-HNNXBMFYSA-N	401.491	4.528	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2cnn(C)c2)c(C)n1-c1cccc2ccccc12	741586984	UUULGQBQXFQXON-MNOULKQQSA-N	423.520	4.765	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1	743433957	HEZCZVPLPOBMIU-OAQYLSRUSA-N	422.912	4.744	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1ccccc1Br	748060083	NKVUDCCYJHJWKG-UHFFFAOYSA-N	413.319	4.689	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	748636943	BOVPDXOBCRUYST-UHFFFAOYSA-N	413.211	4.537	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)ccc21	751887960	IQGQWXUWANSSMY-ATVHPVEESA-N	407.445	4.669	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1	751955024	NWNQCDJTYRGMOP-QGOAFFKASA-N	417.415	4.692	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	752293013	GWUYQCXBFOXNNA-GNKPEBMXSA-N	420.488	4.665	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C1(c2cccc(Cl)c2)CCOCC1	754148107	FUFGTTWVJKIIQW-UHFFFAOYSA-N	416.802	4.689	50	20	HJGD	
N#Cc1cccc(OCc2ccoc2C(=O)NNc2cc(C(F)(F)F)ccc2F)c1	754153470	HRPKCRSZQSTMFB-UHFFFAOYSA-N	419.334	4.645	50	20	HJGD	
CC(C)n1ncc(C(=O)NNc2ccccc2OC(F)(F)F)c1-c1ccccc1	754308907	ZSFYDHGSCDOEAI-UHFFFAOYSA-N	404.392	4.787	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](c2ccccc2F)C2CCCC2)c2ccccc2n1	756195092	IHUOGKMUMBNHJB-JOCHJYFZSA-N	420.488	4.558	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccccc1CCC(F)(F)F	757656822	LOIJVPYGPVZCHF-UHFFFAOYSA-N	417.387	4.507	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2nc3ccccc3[nH]2)c(C)c1	768503008	GWDFZFWIXXEWFQ-UHFFFAOYSA-N	422.492	4.789	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1nc(-c2ccccc2)no1	769805014	FJIDOUCCAUICLT-UHFFFAOYSA-N	419.510	4.584	50	20	HJGD	
Cc1ccc(-c2noc([C@@H](C)OC(=O)[C@@]34CC[C@@H](C[C@H]3Br)C4)n2)cc1F	769977393	CTWNZHJDRHGBQU-CVGJEZRXSA-N	423.282	4.742	50	20	HJGD	
COc1ccc(Oc2cc(CNC(=O)NNc3c(F)cccc3Cl)ccn2)cc1	771290565	NIEZKCAXBYPGJA-UHFFFAOYSA-N	416.840	4.501	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	778449293	DTGONZGWRQDPKQ-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)cc(C#N)n1C	779280069	BSJFRDWUJHVSEK-CXUHLZMHSA-N	417.856	4.592	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cc(Cl)cc(C(F)(F)F)c2)o1	780213942	KKGHJWKAWQZLKD-UHFFFAOYSA-N	401.816	4.558	50	20	HJGD	
CC[C@H](OC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)c1ccc(Br)cc1	782628744	YNULYAOQNOOREQ-QHVUTBCBSA-N	412.287	4.569	50	20	HJGD	
COC(=O)c1cccc(NC(=O)CNc2cccc(S(F)(F)(F)(F)F)c2)n1	786776498	NTGWYGQNTLVUDY-UHFFFAOYSA-N	411.352	4.576	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1	805385428	UCPWJFDRPULHDK-UHFFFAOYSA-N	421.331	4.819	50	20	HJGD	
O=C(CCSc1cccc(Cl)c1)NNC(=O)c1c(Cl)cccc1Cl	808360771	UNCGQOWBUPMXBF-UHFFFAOYSA-N	403.718	4.590	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H]2C[C@@H](c3ccccc3)C2)c(C)n1C[C@@H]1CCCO1	809104466	PRILCLVHLJNLOO-QAPPRILCSA-N	404.510	4.680	50	20	HJGD	
C/C(N)=C(\C#N)c1nc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1	811632868	CNWKXHHSBPYLHD-YFHOEESVSA-N	400.813	4.589	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC=C(c3ccc(O)cc3)CC2)c1C	843592371	XIIKRPCCKYOJPK-XQNSMLJCSA-N	403.526	4.834	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2cccc(F)c2)C(C)C)c(C)n1C[C@@H]1CCCO1	914503063	YAAUFEQCDAHDKK-JGTYQCAFSA-N	423.532	4.767	50	20	HJGD	
CCCN(Cc1ccc(C#N)cc1)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	914512157	JPYOQVUYPKFWBM-BBMHEYIBSA-N	418.541	4.530	50	20	HJGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1	915844544	IJPVZSCKOSHBLV-YVLHZVERSA-N	416.399	4.502	50	20	HJGD	
N#CCOc1cccc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1	915941841	CFMXTVNGXKIKCO-UHFFFAOYSA-N	419.868	4.585	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CCCCc2ccccc2)c(C)n1C[C@H]1CCCO1	916484507	AOYYVSWHBGLOMB-HRRCHGLFSA-N	419.569	4.672	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cs1	917561346	CAKHNOBCLALPPB-CXUNTOSNSA-N	422.554	4.738	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1csc(-c2cccc(Cl)c2)n1	918595324	NZPQFBVMCBRQIB-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(COc3cc(C)ccc3C)o2)c1C	1117173718	PNBLSKCWAHJTGT-NIQDBXHUSA-N	420.513	4.955	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCC2CCOCC2)c(C)n1-c1ccc(Cl)cc1	1318605778	SBECWBUPJIVYMS-XSFVSMFZSA-N	411.933	4.587	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(CCCc3ccccc3)o2)c(C)n1C[C@@H]1CCCO1	1328432927	JRYGENJUCCTGGG-DWFNGTSHSA-N	416.525	4.906	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cc2ccoc2s1	1788416307	WKGZCAWWFWDYCJ-HNNXBMFYSA-N	406.866	4.776	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2)CC1	1824617545	VMJMFHDLNGXMOA-LEWJYISDSA-N	404.982	4.636	50	20	HJGD	
CCN1CCN(c2ccc(NC(=O)CCCC[C@H]3CCSS3)c(C)c2)CC1	22699432	WYMDNMJVAQLUTQ-IBGZPJMESA-N	407.649	4.790	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2C)cc(Br)c1OC	23217864	WPDRMQVVOOSIJW-NTEUORMPSA-N	412.287	4.807	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1O	254764985	GIBTYARORNQSOG-UHFFFAOYSA-N	416.506	4.715	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc(Br)c1OC	303447438	JHWZTTFUCBYXBV-GDNBJRDFSA-N	421.335	4.554	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCc3ccc(O)cc3C2)c(C)n1C1CCCCC1	725884368	LNBMALGXAQDBEE-BKUYFWCQSA-N	403.526	4.808	50	20	HJGD	
CC(C)N1CCCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	727935158	PGEMTAHUQHCNNT-OAHLLOKOSA-N	409.905	4.854	50	20	HJGD	
CC(C)[C@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)c1cccc(C(F)(F)F)c1	731220696	PFGJFBYIAUFZQX-SFHVURJKSA-N	421.463	4.711	50	20	HJGD	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)N(CC(F)(F)F)C1CC1	732715179	OGCIENQZDYWPEJ-LDADJPATSA-N	400.400	4.726	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1csc(-c2ccc(Br)s2)n1	738529358	UZUCOARSXGYBQW-UHFFFAOYSA-N	416.272	4.669	50	20	HJGD	
CCc1nc(C)c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)s1	742005292	SCZJLAJYZFYHMA-UHFFFAOYSA-N	409.136	4.840	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCC[C@@H](O)c2ccccc2)c(C)n1C1CCCCC1	742821648	OEQPKYRXVWYNJJ-FVIVVMBBSA-N	405.542	4.757	50	20	HJGD	
Cc1nc(COc2ccccc2C(=O)NNc2ccccc2C(F)(F)F)cs1	747406249	ZDYJTSAJZJMSKE-UHFFFAOYSA-N	407.417	4.806	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1cccc(-c2cccs2)c1	756303082	VQPWKUOZYFZWJO-UHFFFAOYSA-N	403.463	4.740	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)Nc3cccc(Oc4ccccn4)c3)cc2C1	756821957	XYMZRJKXSHKSQS-AWEZNQCLSA-N	422.510	4.527	50	20	HJGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNC(=O)c3ccc4ccccc4c3)c2)n1	757675483	AYHRXRIRGZVSGL-UHFFFAOYSA-N	400.438	4.578	50	20	HJGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(F)ccc1Sc1ccc(Cl)cc1	768445310	YWGDFEYUCJFAFS-UHFFFAOYSA-N	408.285	4.858	50	20	HJGD	
O=C(NNc1ccccc1)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	770030858	OOXFBRXFJXYSIR-JOCHJYFZSA-N	400.482	4.813	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(Cl)cc1	771422406	QTTAPJDBOSXMLP-UHFFFAOYSA-N	424.810	4.744	50	20	HJGD	
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)NNc3ccc4ccccc4n3)ccc21	775590087	BWLAWKZGKUPWRX-UHFFFAOYSA-N	419.485	4.681	50	20	HJGD	
O=C(O)c1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c(F)c1	777635484	HPWIRNZXSRJIEM-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
C[C@@](O)(CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccsc1	782978985	GQVSHVXDLAKPGD-CYBMUJFWSA-N	423.450	4.592	50	20	HJGD	
CSCCCCC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783464017	XVFLMTVDYNAEEW-UHFFFAOYSA-N	413.455	4.682	50	20	HJGD	
CCOc1ccc(-c2nc(COC(=O)/C(C#N)=C\c3ccccc3)cs2)cc1OC	785345644	RIYBEYVLZUJXHQ-WQRHYEAKSA-N	420.490	4.868	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1cc(F)c(F)cc1F	790720638	DZZLYXDYTSXSGK-UHFFFAOYSA-N	409.408	4.527	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Br)cc2)cnn1-c1ccccc1Cl	790807389	YAIKISQAIJNWMG-UHFFFAOYSA-N	419.710	4.608	50	20	HJGD	
Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)[C@@H]3CCCOC3)cc2[N+](=O)[O-])cc1	794883169	JMMRUKQTGLZOIT-AUUUKSDWSA-N	408.479	4.957	50	20	HJGD	
COC(=O)[C@H]1CC[C@H](C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	798211233	DVJPTDVSEKPFPN-GLKRBJQHSA-N	409.857	4.824	50	20	HJGD	
Cc1oc(C(C)C)nc1C(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	803396274	FJHMUEKXNWMWAB-UHFFFAOYSA-N	405.669	4.533	50	20	HJGD	
CN(Cc1ccc(OCCCCl)cc1)[C@H](c1cccc(F)c1)c1cnn(C)c1	811460423	JSIRFINLWUNAAO-JOCHJYFZSA-N	401.913	4.788	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	812764645	AMWYTLCNRSSIFA-JFLYLQGUSA-N	420.557	4.766	50	20	HJGD	
Cc1ccc(Sc2ccc(C(=O)NNc3cccc(Cl)n3)cc2[N+](=O)[O-])cc1	817008011	ZXACAKOPFTWZMO-UHFFFAOYSA-N	414.874	4.860	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)ccc(F)c1F	817015681	MURZAXWFQUKVEA-UHFFFAOYSA-N	402.216	4.898	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1C	914510689	UFXVIZQPBXXFAA-PAEMTNLTSA-N	418.541	4.780	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)cc1	914871308	ARMIVMOAGUWIAW-LZAZYHHXSA-N	422.525	4.913	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1Br	916661255	NCKLPUBKVJQJDZ-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
C=CCN(Cc1ccccc1F)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	918171233	VIJPGOZIEAHZFS-ZFJBLLOBSA-N	409.505	4.573	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(-c3csnn3)cc2)c(C)n1CC(C)C	919987777	VODVBIGAEIIQPF-VXLYETTFSA-N	405.527	4.825	50	20	HJGD	
CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(C)C)cc1	920751977	UFIXRNKQTIIJRE-UHFFFAOYSA-N	404.514	4.680	50	20	HJGD	
O=C(NN=Cc1ccc(Oc2cc(F)cc(F)c2)cc1)c1nnc(-c2ccccc2)o1	921259981	MNTXFZVTVIUTRT-UHFFFAOYSA-N	420.375	4.571	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1nc(-c2ccc(F)cc2)n2c1CCCCC2	1116187702	SVBJUHDAEVUROY-UHFFFAOYSA-N	418.394	4.590	50	20	HJGD	
N#C/C(=C/c1ncc(-c2ccccc2)[nH]1)S(=O)(=O)c1cc(Cl)ccc1Cl	1251746995	YORLFYMPBHYBAX-ZROIWOOFSA-N	404.278	4.722	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccc(Cl)c(F)c1	1788586396	JKCLKTCRCVOKII-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc(OC)c3)cc2)CCC1	1790272272	VAEOTXNWXSHPSU-FQEVSTJZSA-N	414.933	4.850	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)on3)CCC2)cc1	1790485551	FNFPXDPJCDJGID-MRXNPFEDSA-N	403.910	4.563	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1	1791359862	MUARZIZIAHCRQM-HNNXBMFYSA-N	421.360	4.669	50	20	HJGD	
Cc1ccc(S/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(C)(C)CCl)C3)cc1	1798386928	ZMWGZIQRIHUZAB-XGCLATHASA-N	421.006	4.504	50	20	HJGD	
Cc1ocnc1C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845125008	DYMWDHFNRJZXRZ-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
CCCCCc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](Cl)CCC)cc1	1847867393	CHDBDXZCNJKNRD-FSSWDIPSSA-N	419.009	4.571	50	20	HJGD	
Cc1cccc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1C	6149977	AZGPWMBMMVAORV-LPYMAVHISA-N	421.541	4.857	50	20	HJGD	
Cc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	23974047	YQPZYYSEBDQVGX-YRXLECQKSA-N	421.541	4.937	50	20	HJGD	
CCCCSc1nnc(S[C@@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)s1	24270000	ACOSARLOANYJQM-NSHDSACASA-N	417.585	4.753	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(Cl)nc2)c1C	195698023	PQCAJEKRYVMSIO-JAIQZWGSSA-N	404.901	4.674	50	20	HJGD	
Cc1cc(C)c(NS(=O)(=O)c2ccc(CCCl)cc2)c(Br)c1	317460198	VHCWPBDXJULQQG-UHFFFAOYSA-N	402.741	4.648	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(Br)cc2)c1C	730292874	HMRMEPZCFYCXAG-WQRHYEAKSA-N	400.320	4.501	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)Nc2cc(Cl)ccc2Cl)c1C	730577549	ANPDGBQVEYNJEZ-UHFFFAOYSA-N	403.273	4.611	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)c1C	731171641	WGHNCTHGGZVLCL-DEDYPNTBSA-N	406.530	4.507	50	20	HJGD	
O=C(/C=C/c1ccccc1F)NNc1ccc(Br)cc1C(F)(F)F	731477913	RTSQDSWXDCCSLR-VMPITWQZSA-N	403.173	4.764	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@H](Cc1ccccc1)c1cccs1	735189217	URVABTPXJJQJAJ-QGZVFWFLSA-N	403.454	4.960	50	20	HJGD	
O=C(NNC(=O)C1CC=CC1)c1ccc(COc2ccccc2-c2ccccc2)cc1	740775644	VSCOBPBMHGSJDE-UHFFFAOYSA-N	412.489	4.660	50	20	HJGD	
CC(C)(C(=O)NNc1c(F)cc(F)cc1Br)c1cccc(Cl)c1	741977572	NMAGUACHALQGOI-UHFFFAOYSA-N	403.654	4.802	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCc2nc(C(F)(F)F)cs2)c1C	742930747	YEWIAAHOVDENAL-YBEGLDIGSA-N	424.492	4.646	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)cc(C#N)n1C	747776654	SOLJCACFUKWBCZ-VIZOYTHASA-N	415.324	4.513	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(F)cc1Br)c1ccc(Br)s1	748074635	KMYSXIZFCVKVBT-ZETCQYMHSA-N	422.117	4.659	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C	751165321	UZRBOLJRXYGMQS-UHFFFAOYSA-N	424.457	4.508	50	20	HJGD	
COc1ccccc1C(=O)NNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752976114	GQNPUAJWJKXFLI-UHFFFAOYSA-N	411.352	4.819	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(C2SCCCS2)cc1	755858547	YXVWYYCSWCIPND-UHFFFAOYSA-N	405.492	4.788	50	20	HJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNC(=S)Nc1cccc(Br)c1	756125553	DAYOGAFZHGHQQZ-LUAWRHEFSA-N	424.751	4.524	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2ccncn2)ccc1OCCOc1ccc(F)cc1	758915134	XFXXDCMSBHQUGD-AQTBWJFISA-N	405.429	4.536	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c1C	760833259	LJDCAUPHYOUOET-XESZTULISA-N	417.513	4.739	50	20	HJGD	
CN(CCCO)C1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762979306	VBLJNMRVATVPNA-UHFFFAOYSA-N	417.444	4.655	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	764175185	KFUPNPIJWFVXTA-UHFFFAOYSA-N	421.482	4.731	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1C	768053504	DKSNXBYOANTYTM-UHFFFAOYSA-N	414.531	4.506	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(C(=O)Nc2ccccc2)cc1	769986313	QDSKSOQLXDOJMK-UHFFFAOYSA-N	403.467	4.697	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1C(F)(F)F	770211379	CXQWAIYVBCLIRE-UHFFFAOYSA-N	423.243	4.566	50	20	HJGD	
O=C(NC[C@H]1CC1(Cl)Cl)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772824692	VGKNJSAAMXJLBF-SSDOTTSWSA-N	413.195	4.593	50	20	HJGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	774343779	ZZQIKMUJVZWDGW-OCCSQVGLSA-N	407.426	4.831	50	20	HJGD	
CCCC(O)(CCC)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777966893	JWIPTYCXMINLNR-UHFFFAOYSA-N	411.458	4.954	50	20	HJGD	
Cc1cc(C(=O)NNc2ccccc2OC(F)(F)F)ccc1NC(=O)CC(C)C	779202100	SMWZGLSDKXNIAD-UHFFFAOYSA-N	409.408	4.635	50	20	HJGD	
C[S@@](=O)c1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782913774	TWGNETJEIYIPJB-HSZRJFAPSA-N	421.434	4.882	50	20	HJGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)cc1	783034601	DAEVKSDMMGNJKM-UHFFFAOYSA-N	421.522	4.545	50	20	HJGD	
C[C@H]1CC/C(=C/C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783461534	RUNCHDFTOOHWAP-RGAIUGGKSA-N	405.410	4.895	50	20	HJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)C(=O)NCc1ccc(F)cc1F	786114744	QOACZLBBZQTZKX-YBEGLDIGSA-N	420.444	4.564	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1csc(-c2ccc(OC)cc2)n1)c1ccccc1	787145448	RBSGYDKCGHTUPV-USUABIMMSA-N	403.507	4.993	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cnc(-c3ccc(C)cc3)s2)cc1	787181648	BGMNUDBOFZSGHW-JJBLJPBOSA-N	403.507	4.912	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3)c(C)c2)c1C	790543590	WKCJJHIDLZFRTL-MAGMUUGSSA-N	420.557	4.767	50	20	HJGD	
CC(C)n1nccc1C=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	794466210	SDXQRLDJVDZCDG-UHFFFAOYSA-N	401.445	4.582	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)c1ccc2ncccc2c1	794965353	RAOLUCGKSUNUKS-DHDCSXOGSA-N	420.259	4.912	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)cc1	800590077	JYQMLDCHXKOGHH-NTEUORMPSA-N	408.351	4.711	50	20	HJGD	
O=C(NNC(=O)c1nccc2ccccc12)Nc1c(Cl)cc(Cl)cc1Cl	802072142	FYGPZJZWRBKXIC-UHFFFAOYSA-N	409.660	4.662	50	20	HJGD	
Cc1cccc2cc(C(=O)NNc3cc([N+](=O)[O-])ccc3Br)sc12	809802780	IXXKCRLHSXHSJA-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
COc1ccncc1CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	814540237	QTPAFLDZBLILHS-AWEZNQCLSA-N	405.829	4.631	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(Oc3ccccc3)nc2)c(C(F)(F)F)c1	816703224	VBOPVLVGAVOTAT-UHFFFAOYSA-N	403.360	4.658	50	20	HJGD	
Nc1ccc(C(=O)NN=Cc2ccc(-c3cccc(Br)c3)s2)cc1	914601370	NXNLFNJYXBXRFA-UHFFFAOYSA-N	400.301	4.524	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(N3CCOC3=O)c2)c(C)n1CCC(C)C	914727188	YGTUYEOIDCJPFP-DEDYPNTBSA-N	420.513	4.653	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1F	916292400	ZVBWFEWMJHBDGI-UHFFFAOYSA-N	402.404	4.581	50	20	HJGD	
CN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918286950	RZBVLQAAQIKCHO-KRWDZBQOSA-N	416.852	4.503	50	20	HJGD	
Cc1cc(C)cc(C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1	921251322	JGPYUGWLAVQNCK-UHFFFAOYSA-N	404.539	4.766	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccn2)c(C)n1-c1cccc(C(F)(F)F)c1	1317961519	UUNBHGLURKNRNA-WOJGMQOQSA-N	424.426	4.731	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccccc3F)cc2)CCC1	1787746998	VSLUDLLSIMNFQI-SFHVURJKSA-N	402.897	4.520	50	20	HJGD	
Cc1c(Cl)cccc1C(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788580493	NPOILYBTMBZJLU-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C2(NC(=O)[C@](C)(Cl)CCl)CCC2)cc1	1789209636	WYYVOJIVOXYLKY-CFLQYTFWSA-N	411.373	4.793	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)/C(C)=C/c3ccc(C)o3)CC2)C1	1806165476	VUMXJWDHIHZXJL-XBVMLYLOSA-N	420.981	4.630	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)[nH]n1	1815322488	RSHWDNSBZJBWEU-CRAIPNDOSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1	1815324703	UXDPRYIDORUOGR-HZUJVAHNSA-N	406.958	4.556	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1	1824611588	MSYZDDAACZXIRH-UXHICEINSA-N	408.970	4.537	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)NC(c3ccccc3)c3ccccc3)cc2C1	10259794	QDQQIKMSIQSKSM-MRXNPFEDSA-N	419.550	4.607	50	20	HJGD	
CCC[C@H](NC(=O)NNC(=O)CCc1ccccc1)c1cccc(C(F)(F)F)c1	726851632	SEYYMUHHLCZKRI-SFHVURJKSA-N	407.436	4.510	50	20	HJGD	
Cc1ccccc1N(C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)C(C)C	729832195	SKCHOHAWBLGWRY-CLMUKVTESA-N	405.542	4.941	50	20	HJGD	
N#C/C(=C/c1cc2ccccc2nc1N1CCOCC1)c1nc2cc(F)ccc2s1	730149024	SCOLKYJVUJETEC-ATVHPVEESA-N	416.481	4.884	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)(F)C(=O)O)cc1)C(=O)c1c(Cl)cccc1Cl	730729633	KOPZXHZOCKXEBS-DHZHZOJOSA-N	412.175	4.839	50	20	HJGD	
C[C@@H](Oc1ccccc1F)C(=O)NNc1ccc(Br)cc1C(F)(F)F	731478197	FWAYSHPNRAIORE-SECBINFHSA-N	421.188	4.518	50	20	HJGD	
O=C(NNc1cccnn1)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	736702342	OUHCVOCUIBYUPQ-KRWDZBQOSA-N	405.310	4.760	50	20	HJGD	
O=C(COc1c(Cl)cccc1Cl)Oc1ccc([N+](=O)[O-])cc1Br	739313336	CPROEZYSWVTSQZ-UHFFFAOYSA-N	421.030	4.649	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2OC(F)F)c1C	742006558	MBCRYYYASGJNGB-TUTDSIAXSA-N	421.419	4.599	50	20	HJGD	
COC(=O)c1cccc(-c2nc(COC(=O)/C(C#N)=C\c3ccc(C)cc3)cs2)c1	744501537	FCUPUZMJYPSMBM-GRSHGNNSSA-N	418.474	4.556	50	20	HJGD	
O=C(CC1CCCC1)NC1CCC(C(=O)NNc2ccc(Cl)cc2Cl)CC1	748012742	QVBJFSWYRRBVNN-UHFFFAOYSA-N	412.361	4.692	50	20	HJGD	
Cc1nc(-c2cccs2)c(CC(=O)NNc2ccccc2Br)s1	748067685	BBZPZJWIQAHLRO-UHFFFAOYSA-N	408.346	4.628	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(O[C@H](C)CC)c2)cc1	749451536	IKPKLQPDLDDOAT-CXDFQFJYSA-N	422.481	4.595	50	20	HJGD	
CCOc1cc(C=NN(C)C(=O)OC(C)(C)C)cc(Br)c1OC(F)F	750936385	RBMVNHRUUSWTCN-UHFFFAOYSA-N	423.254	4.650	50	20	HJGD	
CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	752631956	SNWIUHSSUZGUDT-ABAIWWIYSA-N	424.872	4.713	50	20	HJGD	
Cc1cc(NC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)ccc1-c1ccccc1	762941923	QFKQMNAFYSJSCC-UHFFFAOYSA-N	417.494	4.580	50	20	HJGD	
N#Cc1cccc(Oc2ccc(NC(=O)NNc3ccnc(Br)c3)cc2)c1	771142432	GNTSPOCYBGDKAI-UHFFFAOYSA-N	424.258	4.657	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2ccc(Br)c(F)c2)cc1OC	771674235	AINBLPHHNPKLFM-UHFFFAOYSA-N	411.271	4.533	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	775522687	XSFGMVKNKGEDDE-UHFFFAOYSA-N	413.692	4.688	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)c(Br)c1)C(=O)N(CC(F)(F)F)C1CC1	776189852	KRCNPAXZTBIFBE-BJMVGYQFSA-N	407.617	4.563	50	20	HJGD	
CCCc1cc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n(C)n1	777683865	WLHYYVCQGWHAOS-UHFFFAOYSA-N	405.414	4.831	50	20	HJGD	
COc1ccc(NNC(=O)c2oc3ccccc3c2CSc2cccs2)nc1	781529999	LMDYZQFGIKLVKA-UHFFFAOYSA-N	411.508	4.947	50	20	HJGD	
O=C(NNc1ncncc1Cl)Nc1ccccc1OCc1cccc(Cl)c1	782045214	MGLOMOGTTABYSM-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(F)cc1	783460820	HZBAAYWGLSSOCY-UHFFFAOYSA-N	405.341	4.602	50	20	HJGD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NNc1ccc(F)cc1	784783283	MVTAHYKVBRSZGF-UHFFFAOYSA-N	401.507	4.641	50	20	HJGD	
O=S(=O)(CCCCCl)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	788056510	DJWVRCPXZYNDQI-UHFFFAOYSA-N	408.829	4.653	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccc2[nH]ccc2c1	789671887	MCAKCGYFXHGTST-FJWZAKCXSA-N	416.525	4.725	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1cccc(CSc2ccccn2)c1	806248709	LTULFLIUSVDOFU-UHFFFAOYSA-N	406.515	4.580	50	20	HJGD	
CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)NNc1ccc(Cl)cc1)C2	807120251	FEVRCDSNPPUOAD-KZGGZSBBSA-N	407.942	4.503	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3c(C)nn(C)c3Cl)n2)cc1	812488202	UEVHYWOSCJRLRB-OQLLNIDSSA-N	411.918	4.614	50	20	HJGD	
CON(C)C(=O)C1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	812960765	UMRXJWWRMWTFBK-UHFFFAOYSA-N	417.400	4.608	50	20	HJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1ccc(Br)cc1F	815852458	VMGBWGYVTYQRKJ-UHFFFAOYSA-N	416.088	4.724	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)[C@@H]2OCCc3sccc32)c(C)n1CC(C)C	816722596	BIPGUEJFPPFPNN-JHAUMMSCSA-N	411.571	4.548	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1	818307030	NIWOEQXCRGLIDY-HXUWFJFHSA-N	423.563	4.546	50	20	HJGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc21	914463969	NUXRGAODSRSYQU-VZMFNRANSA-N	421.504	4.517	50	20	HJGD	
Cn1ccnc1[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	916218864	VPQPEAPYPLJTRF-INIZCTEOSA-N	424.719	4.796	50	20	HJGD	
CCCn1c(C=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)nc2ccccc21	917537400	KKNVMBMMFRPZLA-KRWDZBQOSA-N	400.482	4.517	50	20	HJGD	
COc1ccc2ccccc2c1C=NNC(=O)c1ccc(F)cc1Br	917549748	BSZCPXZUPDYGKS-UHFFFAOYSA-N	401.235	4.514	50	20	HJGD	
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)CCCC[C@H]1CCSS1	918696578	AZVVQUIHLOETCT-OALUTQOASA-N	409.617	4.917	50	20	HJGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1	920047293	QMVNGBCEWIATHD-LJQANCHMSA-N	413.930	4.698	50	20	HJGD	
CC(C)(C)c1ccc(OCc2ccc(C(=O)NNc3ncccc3[N+](=O)[O-])cc2)cc1	920957473	GDXKRQIKZNZQPQ-UHFFFAOYSA-N	420.469	4.623	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cnn1C	1322871644	JHMZOMZWMZHJDE-OTYXRUKQSA-N	406.861	4.831	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)c1C	7460039	ZLTZESZOQWIBFE-DBRLUCFCSA-N	407.514	4.609	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	21286466	FPAUJQFRXUURMH-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	727497476	UMQMELFAEGJTKA-UHFFFAOYSA-N	419.550	4.624	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C(C)(C)c1ccccc1Cl	728856923	NKUGVKZTTRGQBW-UHFFFAOYSA-N	413.930	4.511	50	20	HJGD	
CC(C)(C)c1csc(CCNC(=O)NNc2nc(Cl)c(Cl)cc2Cl)n1	729622725	XCWPNQQBHXQBKP-UHFFFAOYSA-N	422.769	4.665	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1	730551995	IJEUNKNAGFKGBQ-HUCUOGIVSA-N	403.507	4.993	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cnc3ccc(Cl)cn23)c(C)n1CC(F)(F)F	737444374	QNJZCEHJDOLVFC-MLPAPPSSSA-N	406.795	4.758	50	20	HJGD	
COc1ccc2oc(C)c(C(=O)NNc3c(F)cc(F)cc3Br)c2c1	741980455	JSBKRGHMRSDZCC-UHFFFAOYSA-N	411.202	4.547	50	20	HJGD	
Cc1cccc(OCCCCC(=O)NNc2c(F)cc(F)cc2Br)c1	741980586	LPHALTTYRDAKDA-UHFFFAOYSA-N	413.262	4.728	50	20	HJGD	
COc1ccc(OC)c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	742005364	UZFSHZAXQJSHJX-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)NN(c2ccccc2)c2ccccc2)cc1	745037469	MTZLHPHMRQILSQ-FQEVSTJZSA-N	402.494	4.845	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C)c2)c1C)C1CCOCC1	746409347	CGHMFNZGFUSPAJ-DLBLZJNESA-N	405.542	4.631	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2cc(F)c(F)c(F)c2)n1	746703221	LYHHUBLKQMECJJ-UHFFFAOYSA-N	409.458	4.918	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cnn(CC#N)c2)c(C)n1-c1cccc2ccccc12	747434493	SKRCTFHIDTXGKT-FYJGNVAPSA-N	420.476	4.513	50	20	HJGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NNc1cccc(Br)c1	748033319	PBQHJFVZSSPVIR-UHFFFAOYSA-N	422.131	4.924	50	20	HJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1ccccc1Br	748066395	UVPGZHQCURQWAG-UHFFFAOYSA-N	403.301	4.943	50	20	HJGD	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1cccc(F)c1	748098782	ATQGTNQZAVGBMH-GFCCVEGCSA-N	405.882	4.899	50	20	HJGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748695516	LLJLSTNWTGXIKZ-OAHLLOKOSA-N	402.800	4.582	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)s1	748704233	DFEHWRQTTMVERE-UHFFFAOYSA-N	407.417	4.817	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(NC(=O)C2CCCCC2)c1	748722620	XFCSYHHEXIRHMX-UHFFFAOYSA-N	416.865	4.524	50	20	HJGD	
CN(C)c1cccc(C(=O)NNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	752977930	JDIFOOSPAAGJOR-UHFFFAOYSA-N	424.395	4.877	50	20	HJGD	
CC(C)(C)OC(=O)NCCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753925919	QFFMAVYAJNSKQP-UHFFFAOYSA-N	405.389	4.990	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCCc2cc(Cl)sc2Cl)c1	755630190	YEWURMGAJRWNEK-UHFFFAOYSA-N	402.372	4.704	50	20	HJGD	
Cn1c(=O)n(CC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c2ccccc21	762517725	JLJHEBXCKSSWHR-UHFFFAOYSA-N	407.364	4.636	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1c(F)cccc1Cl)OCc1ccccc1	771674545	PDSXKMBLTKTRAB-UHFFFAOYSA-N	413.836	4.985	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(C3CC3)cc2)c(-c2ccccc2)n1	772852241	JTWSIFTYXBHFGN-RCCKNPSSSA-N	407.477	4.887	50	20	HJGD	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NNc2ccc(C#N)cc2)cc1	775556011	HHQRWESFCMFYQF-UHFFFAOYSA-N	419.872	4.637	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1	780790859	AWQIPYHUVPNQKF-UHFFFAOYSA-N	422.293	4.660	50	20	HJGD	
Cc1noc(C)c1COc1ccc(CC(=O)NNc2ccc(C(C)(C)C)cc2)cc1	780804850	MBNHZFGXMHVNFG-UHFFFAOYSA-N	407.514	4.854	50	20	HJGD	
N#C/C(=C\c1cccn1Cc1ccccc1C#N)C(=O)c1ccc(OC(F)F)cc1	782197590	UAIOJJVAFOORBB-XDHOZWIPSA-N	403.388	4.799	50	20	HJGD	
O=C1C[C@H](C(=O)NNc2c(Cl)cc(Br)cc2Cl)c2ccccc21	789652711	ISNJTGQMUFWOLI-NSHDSACASA-N	414.086	4.569	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	791714597	LARJZTVYNHHFHW-UHFFFAOYSA-N	409.273	4.649	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)c(Br)c(Cl)c1	802829778	XGTNLEXIAHRQPR-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3ccccc3)CC2)c1C	881442302	DIOJTUNWYCUXQQ-WWJLXRQJSA-N	405.542	4.626	50	20	HJGD	
CCCCN(Cc1ccccc1F)C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	914517618	YMVMZQVQEVWRFV-PXLXIMEGSA-N	411.521	4.626	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccccc2OCc2cccnc2)n1	915986196	ZHHDWXRSUYMNIB-WQRHYEAKSA-N	418.522	4.960	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(N)cc2)cc1C	916264456	TUKLPURTIODKAT-UHFFFAOYSA-N	409.493	4.502	50	20	HJGD	
O=S(=O)(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(CCCl)cc1	917730364	BUJKDSXJUAOXHR-UHFFFAOYSA-N	407.919	4.700	50	20	HJGD	
Cc1cccc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c1	934164257	ZPZXMHRZJQQHGM-UHFFFAOYSA-N	408.523	4.708	50	20	HJGD	
Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(CCCl)cc2)cs1	1251131957	VYVOJVHWOKJUPR-UHFFFAOYSA-N	418.971	4.651	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)ccc2OC)cc1	1321068231	LVGJVHJBPIECEH-QGOAFFKASA-N	400.434	4.622	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]ccc4n3)CCC2)cc1	1786011057	XKAIRKOOCKWQPU-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3F)CCC2)cc1	1790486009	RZPWJJQIIACYCH-SFHVURJKSA-N	402.897	4.520	50	20	HJGD	
CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](Cl)CC)[nH]n2)cc1	1820644853	WIHBERDUDBKSHM-MJGOQNOKSA-N	416.953	4.686	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2c(F)cccc2Cl)c1C	5365275	VOKYZMFGLDPNPP-IREQLNLFSA-N	404.869	4.755	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c2c(c1)C[C@H](C)O2	728438017	LWPIAYKFHODYIF-NGPAHMQLSA-N	403.265	4.871	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)NC(=O)CC3)c(C)n1CCC(C)C	741721843	SQEXWAWPDBJTLM-NDENLUEZSA-N	404.514	4.581	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@H]2c2ccccc2)c1C	745773586	ZVNBNAGQKJRCNV-QQQSUWHHSA-N	405.542	4.829	50	20	HJGD	
O=C(/C=C\c1ccccc1OC(F)(F)F)NNc1ccc(OCC(F)(F)F)cc1	748694060	IAIUMEJCAAPACK-YHYXMXQVSA-N	420.309	4.683	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(Cl)ccc1Br	748702870	BHGGILXILXKGHC-UHFFFAOYSA-N	423.616	4.801	50	20	HJGD	
COc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)ccc1OCc1ccccc1	755855205	QQWSNSMIPLVTMJ-UHFFFAOYSA-N	423.416	4.506	50	20	HJGD	
Cc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)cc1NC(=O)OC(C)(C)C	755857994	DKDZWALHGNQUMC-UHFFFAOYSA-N	416.425	4.574	50	20	HJGD	
CC[C@H](C)Oc1cccc(NC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1	756212641	GVIADYLIJRQJTO-INIZCTEOSA-N	423.469	4.502	50	20	HJGD	
Cc1cc(Br)ccc1C=NNC(=O)Cc1nc(-c2ccccc2)cs1	759193134	COWGKRQTKRMOIK-UHFFFAOYSA-N	414.328	4.574	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2-c2cnn(C)c2)c1C	759772385	RCOUYQUODIWHRV-LPYMAVHISA-N	415.541	4.529	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N(Cc1ccccn1)C1CC1	762636651	KOEOCBIDWDQSMC-UHFFFAOYSA-N	421.391	4.869	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)c(C)n1CCC(C)C	767149651	SGOZJVKCZJYHDY-UNOMPAQXSA-N	424.520	4.538	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	772890095	HVLPZVOMRQSAHN-UHFFFAOYSA-N	401.445	4.711	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1ncc(Cl)cc1Cl	775271956	WULQIHMVIFOYMF-UHFFFAOYSA-N	415.252	4.855	50	20	HJGD	
O=C(NNc1ncncc1Cl)Nc1ccc(OCc2ccccc2Cl)cc1	782018882	QFJAEELSUXFKMZ-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
O=C(NNc1ncncc1Cl)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12	782031813	MFDFZHBIPYWLGJ-UHFFFAOYSA-N	424.823	4.758	50	20	HJGD	
C[C@@H](CNc1ccccc1)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	784770402	NFSFHCWIINCFLT-LBPRGKRZSA-N	423.407	4.899	50	20	HJGD	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1Cl	787085541	YMDFBLKBHHDFEV-YSKWHIJTSA-N	423.900	4.606	50	20	HJGD	
C[C@H](CS(C)(=O)=O)N(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C1CC1	788020539	QAWNDJIINOHJKA-QGZVFWFLSA-N	411.684	4.606	50	20	HJGD	
C[C@H]1OCC[C@]12CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CCO2	791863071	RVWAIEABNGJFCX-ABAIWWIYSA-N	402.385	4.756	50	20	HJGD	
CC(C)n1cnnc1-c1ccccc1NC(=O)NNc1cc(Cl)cc(Cl)c1	792330800	QUNWVPQLVYPIHT-UHFFFAOYSA-N	405.289	4.981	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](c3ccccn3)C2)c(C)n1-c1ccccc1F	798718604	FGUWKSQCNXRHRS-KNGGAZFVSA-N	414.484	4.551	50	20	HJGD	
CCc1ccsc1C(=O)NNc1c(Br)cccc1Br	801502681	SJZCMQSDDJKBSL-UHFFFAOYSA-N	404.127	4.592	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1OC1CCOCC1	806646659	GECTXYBTNHCXNV-UHFFFAOYSA-N	414.264	4.839	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	810200607	PEWIYSDDYSBWQH-ATVHPVEESA-N	410.476	4.970	50	20	HJGD	
O=C(c1ccc(CNCc2ccc(OCCCCl)cc2)cc1)N1CCCCC1	811473210	YLBKSWQBYIVQDZ-UHFFFAOYSA-N	400.950	4.610	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CCCc2ccc(Cl)c(Cl)c2)c1	816406553	UOWQVUUXCRCQGQ-UHFFFAOYSA-N	409.317	4.553	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CC3)n1	900863122	SNGHICFQELDOIV-XDJHFCHBSA-N	421.504	4.885	50	20	HJGD	
C=CCNC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCCC)c2C)cc1	902113809	TZHHZENGIWHMMP-HKWRFOASSA-N	419.529	4.758	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cc2ccccc2c2cccnc12	916092379	GMIAXABKYMUDEZ-UHFFFAOYSA-N	421.909	4.595	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1	916152961	ZGLHDVKAWZWPGR-NDENLUEZSA-N	411.914	4.540	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)N(CC)CC)c1C	920012932	FWLZLGBDJSLNAW-PGMHBOJBSA-N	420.557	4.933	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC)nc3)CCC2)cc1	1786443733	HAZRIWDZGFRRBC-FQEVSTJZSA-N	413.949	4.799	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@](C)(Cl)CCl)CCC2)cc1	1786447421	VQKHRIZYRIGPHH-MAUKXSAKSA-N	419.780	4.764	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2C)[nH]n1	1815314554	LVGAVWHWVBSBDX-MAUKXSAKSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccs2)[nH]n1	1815317362	RZXQNBJVUQKEPO-RDJZCZTQSA-N	422.982	4.504	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc(C(=O)N2CCSCC2)c1	64522635	HUHNBSIQCZTVIQ-KRWDZBQOSA-N	410.630	4.528	50	20	HJGD	
CCn1cc(Br)cc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	110021363	RKJVUUCQVYBZRV-UHFFFAOYSA-N	411.514	4.988	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1	727846318	ABNJQKJKLHZMSN-CQSZACIVSA-N	400.693	4.742	50	20	HJGD	
O=C(NN=Cc1cc(F)c(F)c(F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1	727969655	JPQZWWLXWJGSTI-UHFFFAOYSA-N	420.394	4.721	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)c1sc2cccc(Cl)c2c1Cl	730225861	VSEWTNJOFYXZTN-UHFFFAOYSA-N	416.289	4.831	50	20	HJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC(=O)O)c([N+](=O)[O-])c3)n2)cc1	731564004	YVGAMVORUDBNJZ-PXNMLYILSA-N	421.434	4.554	50	20	HJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccc(Br)nc3)c(F)c2)cc1	732837430	FYVUSCQCFNSNSV-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)c1C	733934325	LUYLSOCCZNANSC-HDLISZADSA-N	413.484	4.655	50	20	HJGD	
Cc1ccc(OCc2cccc(C(=O)NNc3cccc(C(F)(F)F)c3)c2)cn1	734015390	JKCMBCQAHPHTGC-UHFFFAOYSA-N	401.388	4.745	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cn(Cc2ccccc2)nc1-c1ccccc1	734553229	DWUKXSYETPEYTA-UHFFFAOYSA-N	422.410	4.773	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)Cc3c(C)noc3C)c2C)c1	737664497	FFYXJXCMEJFTAB-GLFIFPSUSA-N	416.525	4.662	50	20	HJGD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc(Br)cc1	738507514	QBURIRZVUGZJDU-NSHDSACASA-N	401.226	4.790	50	20	HJGD	
CC(C)c1cnc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)s1	742125510	KXTBHUYCHMLCJU-GZTJUZNOSA-N	416.510	4.589	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1	742939665	ZZZKTZNXJIIZKG-MTOJCTJASA-N	422.872	4.573	50	20	HJGD	
O=C(NCC1(CCO)CCCC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	746024283	JYADASNBQHLJAN-CQSZACIVSA-N	410.889	4.970	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(C#N)cc2)cc1	747051526	RARLONKHOQXQGJ-UHFFFAOYSA-N	419.488	4.737	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ccc(C#N)cc2)cc1	748117003	XXDOJJJBYDPYOC-UHFFFAOYSA-N	407.477	4.535	50	20	HJGD	
Cc1ccc(C)c(-n2ncc(C(=O)NNc3ccc(Br)cc3C)c2C)c1	748754164	KKLVSPXEJLIYCU-UHFFFAOYSA-N	413.319	4.625	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1C	751354715	GOLIAYJVSKNVSE-UQPBEGSPSA-N	405.542	4.624	50	20	HJGD	
COCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1	751443497	KTWYXIGYVBJGKX-NTCAYCPXSA-N	404.438	4.572	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1ccccc1-c1noc(C)n1	752501175	LRPRTNXZVAIGSY-UHFFFAOYSA-N	416.279	4.519	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)NNC(=O)CCCc3ccccc3)ccc2C)c1	756776368	AUJJVRQPVFITRW-UHFFFAOYSA-N	418.497	4.666	50	20	HJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3nc(C(F)(F)F)cs3)cc2)cc1	760689208	BLUPXQAPKNYBDE-UHFFFAOYSA-N	421.400	4.914	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cnc2c(cnn2Cc2ccccc2)c1	763614264	DNBOOMZBHMTKIF-UHFFFAOYSA-N	412.280	4.543	50	20	HJGD	
Cc1c(NNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cccc1[N+](=O)[O-]	765012755	ZXUMLCKCJCONIX-UHFFFAOYSA-N	416.459	4.603	50	20	HJGD	
N#Cc1ccc(N2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)c(Cl)c1	768058639	KFMREOCZGYKXJY-MRXNPFEDSA-N	410.008	4.574	50	20	HJGD	
Cc1cccc(-n2ncc(C(=O)NNc3c(F)cccc3Cl)c2C(F)(F)F)c1	770197168	NJKVJTBERVBJIS-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
Cc1noc(C)c1C(=O)COC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	771926526	GODWOBICQPSHIK-ODLFYWEKSA-N	409.486	4.548	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)c(Br)cc1O	773146096	VZPUZDCDGRNCGV-WCIBSUBMSA-N	410.626	4.746	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1C	775558624	MVCLIOSYCQDIAS-WBRURWICSA-N	402.498	4.853	50	20	HJGD	
CCc1c(C(=O)NNc2ccccc2OC(F)(F)F)cnn1-c1cccc(Cl)c1	779216235	DNHHTYQGJWVHPE-UHFFFAOYSA-N	424.810	4.744	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1	781097475	GMQGPAVAFIDTON-KRWDZBQOSA-N	421.310	4.504	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccc(C)c1	786043595	ZXVQEOPSMITPRH-HMAPJEAMSA-N	405.523	4.596	50	20	HJGD	
Cc1nnc(Sc2ccc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)c(C)c2)s1	787288509	DFANVVIFTHJNSD-XNTDXEJSSA-N	408.508	4.557	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1C	790153026	XGMUDOFIVAQUHN-JCMHNJIXSA-N	421.516	4.683	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(F)c(F)cc1C(=O)c1ccccc1	793711078	BRFQDDSRQFJHRT-UHFFFAOYSA-N	420.337	4.972	50	20	HJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1	794875174	NJAJLEFBMDCZIU-LCYFTJDESA-N	403.310	4.959	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(Cl)c(F)c1N1CCOCC1	801591468	KMFNITTUJMWEHO-ZDUSSCGKSA-N	418.987	4.968	50	20	HJGD	
O=C(/C=C\c1ccc(Cl)nc1)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	802069291	FXGZBQREECZGKB-RQOWECAXSA-N	420.083	4.561	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2ccc([N+](=O)[O-])cc2C)n1	805382332	CVBICRNHJFRAHW-UHFFFAOYSA-N	414.512	4.717	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc2nc(Cc3ccccc3)oc2c1	806345536	BUWCFHWFZQMBJW-UHFFFAOYSA-N	414.469	4.625	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1cccc(F)c1Cl	806980702	AOAJAWKTJLBRJF-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
COC(=O)CCC[C@H]1CCCC(=NNC(=O)c2sc(-c3ccccc3)nc2C)C1	814754381	QREGFMMWXDQDDH-MRXNPFEDSA-N	413.543	4.738	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1ccccc1-c1ncc(-c2ccccc2F)o1	817008004	ZIZIEZQRDBOJRG-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
Cc1nc(CC(=O)NN=Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)cs1	818235687	TUCSMUPQASLHNQ-UHFFFAOYSA-N	409.458	4.892	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(C)n1CCC(C)C	864335391	NZTNOFZILOVLQS-AMCKHAKVSA-N	422.573	4.604	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(C)n1CC(C)C	914501268	BREYGSAKXVAADR-MSXFZWOLSA-N	402.542	4.977	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nnc(C(C)(C)C)o2)c(C)n1C1CCCCC1	914893517	SYYYSEGWJDTECO-PDGQHHTCSA-N	410.518	4.941	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)c3nccs3)c2C)cc1	915154827	VXEMKUBOMHSZCU-AQTBWJFISA-N	406.511	4.519	50	20	HJGD	
O=C(NN=Cc1ccccc1OCc1cccnc1)c1ccc(Cl)cc1Cl	915952773	KVTQMHHVKIRUMD-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2C)ccc1OCc1ccc([N+](=O)[O-])cc1	916129234	CBXRZARJEWVTQJ-WQRHYEAKSA-N	418.405	4.874	50	20	HJGD	
O=C(NN=Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1c[nH]c2ccccc12	916287788	PEHDHDVUIIILBL-UHFFFAOYSA-N	419.488	4.844	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccnn2[C@H](C)CC(C)C)c(C)n1C[C@H]1CCCO1	917667642	CYIJLLAGDPNTGP-WUCXITBKSA-N	423.561	4.633	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(Cl)cc1	918708937	RQZUILPTQMGPFZ-UHFFFAOYSA-N	406.294	4.793	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2F)o1)NNc1ccc(Br)cc1	932526907	YRSDLBTTYYSPCZ-UHFFFAOYSA-N	403.251	4.924	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3csnc3C)cc2)CCC1	1787191188	KUCGNOYQBHJYIM-QGZVFWFLSA-N	405.951	4.607	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1	1789730884	MHZOOZSADVLMKK-MRXNPFEDSA-N	406.313	4.500	50	20	HJGD	
CCOc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	7155063	KJBWOIDMTYFMPZ-UHFFFAOYSA-N	415.371	4.552	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2)c1Cl	7749365	XSEZNTDKZUWLAV-QGOAFFKASA-N	420.900	4.838	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc(SC(F)F)cc2)cc1	10371684	ZMJNJQGCHLMUOH-UHFFFAOYSA-N	409.527	4.975	50	20	HJGD	
Cc1cc(C)c(NNC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c(C)c1	726270911	IJQQGNVANVPXQQ-QHCPKHFHSA-N	413.525	4.914	50	20	HJGD	
O=S(=O)(c1ccc(CCCCl)cc1)N(Cc1cccnc1)c1ccc(F)cc1	726973609	CXPGFNPUWUCNON-UHFFFAOYSA-N	418.921	4.788	50	20	HJGD	
COc1ccc2oc([C@@H](C)NC(=O)NNc3ccc(OC(F)F)cc3)c(C)c2c1	730133142	NTIVZLHBMMMZDG-GFCCVEGCSA-N	405.401	4.739	50	20	HJGD	
Cc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Br)c(C)c3)s2)o1	734251244	IJUQOCRMHIUPJH-UHFFFAOYSA-N	406.305	4.848	50	20	HJGD	
Cc1cc(NNC(=O)c2occc2COc2ccccc2)ccc1Br	734254185	VBCYMABKTOJROH-UHFFFAOYSA-N	401.260	4.686	50	20	HJGD	
CCCCCCn1nc(C(=O)NNc2c(C)cc(C)cc2C)c2ccccc2c1=O	743765025	YRUCHHRSERFHCC-UHFFFAOYSA-N	406.530	4.659	50	20	HJGD	
O=C(CCOc1ccccc1)NN=Cc1cn(-c2ccccc2)nc1-c1cccs1	747059232	KZDMGHYWTUWCQN-UHFFFAOYSA-N	416.506	4.520	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1ccccc1CSC1=NCCS1	748034083	VWBUWIRBLMLHCX-UHFFFAOYSA-N	422.373	4.542	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(NC(=O)NC2CC2)cc1	752869293	UPFJJZBWPATKLL-LLVKDONJSA-N	422.316	4.665	50	20	HJGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN=Cc1sc(Cl)nc1Cl	755563899	YAVKBKJTGBIKEC-SECBINFHSA-N	406.722	4.638	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3nc(C(F)(F)F)cs3)ccc2n1-c1ccccc1	755854468	DIJVYTUMHGLWTF-UHFFFAOYSA-N	417.416	4.566	50	20	HJGD	
O=C(CCc1nc2cc(Cl)ccc2s1)NNc1nc(C(F)(F)F)cs1	755859782	KNNZHCSZSIGWRX-UHFFFAOYSA-N	406.842	4.501	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2ccc(OC(F)(F)F)cc2[nH]1	761587966	ACCXKADGINDMCU-UHFFFAOYSA-N	419.281	4.722	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)c1	768703997	HNZFMFDGESTUCP-UHFFFAOYSA-N	401.228	4.823	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)c1C	768746275	FIJGCIUDCMHQTG-GOWLBUCNSA-N	422.525	4.651	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1ccccc1C(=O)c1ccc(F)c(F)c1	770191746	WDMPXFMRDIWHOZ-UHFFFAOYSA-N	404.775	4.745	50	20	HJGD	
Cc1onc(-c2cccc(Br)c2)c1C(=O)NNc1c(F)cccc1Cl	770203466	LHUSJWXVZKRBKK-UHFFFAOYSA-N	424.657	4.962	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1	772843023	CTEAODNSHPQWOK-UHFFFAOYSA-N	405.502	4.842	50	20	HJGD	
CO[C@@H](CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1	772893845	SCWMFVJJNGWUSE-HNNXBMFYSA-N	424.391	4.786	50	20	HJGD	
CCC(CC)N(CCOC)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773644232	VGRXLQROQLSKJA-UHFFFAOYSA-N	418.428	4.946	50	20	HJGD	
O=C(NNc1ncncc1Cl)[C@@H](Sc1ccccc1Cl)c1ccccc1	781829937	NOHOKSCDWAYXER-INIZCTEOSA-N	405.310	4.760	50	20	HJGD	
COC1CCC(N(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782983353	QNTBABKCNSBERX-UHFFFAOYSA-N	409.442	4.922	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1C	787093223	IXIOATMGFBFBJO-YVLHZVERSA-N	405.420	4.624	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@H](c1cccc(F)c1)c1ccccn1	790440746	XMWKGNAHERDBIB-GOSISDBHSA-N	405.260	4.943	50	20	HJGD	
C[C@H](CCCCC(=O)O)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790616552	MUBUOALUCQVNII-SNVBAGLBSA-N	411.414	4.656	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1	792862125	JOYZHCUOAIYXGO-UHFFFAOYSA-N	402.655	4.699	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1	792872541	OVXLEJGZNZDKHS-OAQYLSRUSA-N	400.643	4.712	50	20	HJGD	
Cc1cccc(C(=O)NNC(=O)c2oc3ccccc3c2CSc2cccs2)n1	794084179	BCGLEAUBBLJQSD-UHFFFAOYSA-N	423.519	4.565	50	20	HJGD	
CN(C)c1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)c(C(F)(F)F)c1	794507425	CLZZIQJTEUWQLT-UHFFFAOYSA-N	404.219	4.842	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H]2CC(C)(C)Oc3ccccc32)c1C	799438350	KYNNMNQHQRPZRR-JJEHFPDLSA-N	408.498	4.504	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(C)cc1-c1cnn(C)c1	801647083	BEBMBWOFDIQIQE-MFOYZWKCSA-N	420.900	4.912	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1N1CCCC1	803119271	WJFKTGRWVNIAJN-UHFFFAOYSA-N	419.234	4.764	50	20	HJGD	
CC[C@@H]1CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C[C@@H](C)S1(=O)=O	805772791	KQALVVBUHYJNKR-YLJYHZDGSA-N	411.684	4.606	50	20	HJGD	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	810204755	XHCVHZSJSICKEB-MLPAPPSSSA-N	413.264	4.938	50	20	HJGD	
Cc1c(C(=O)NNc2cccc([N+](=O)[O-])c2)sc2ccc(Br)cc12	815850242	DFTRBOKXACKDES-UHFFFAOYSA-N	406.261	4.637	50	20	HJGD	
C[C@@H](Sc1ccccn1)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014356	FBPOPZWEHCZXNJ-SECBINFHSA-N	409.355	4.743	50	20	HJGD	
COc1cc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)ccc1O	915922984	RIYUZWAYBDASTP-UHFFFAOYSA-N	415.424	4.519	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCOCC2)c(C)n1-c1cc(Cl)ccc1Cl	917764145	QLZJQAZVYKFXPU-MHWRWJLKSA-N	418.324	4.603	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCCn3cccc3)CCC2)cc1	1786446675	NLCZXXRHGNCXSC-FQEVSTJZSA-N	415.965	4.810	50	20	HJGD	
O=C(CCCCn1cccc1)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1789604880	SERWGSDDIRBVHL-UHFFFAOYSA-N	422.356	4.596	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)CCC1	1790298913	KQKMXNWUHNDPHX-HXUWFJFHSA-N	413.949	4.518	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1815317846	KFHIBCXUSRUISP-AEFFLSMTSA-N	408.974	4.780	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)cc2C)n[nH]1	1820477838	DJIWYEJOCVUWEN-PKOBYXMFSA-N	416.953	4.740	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CC)c2ccccc2)CC1	1826311969	OJEQKRVIDZUSNZ-BHIFYINESA-N	419.009	4.817	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1	1832386652	UVYLFKYZAGXQKL-NXWZEKHHSA-N	423.041	4.984	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccsc2)ccc1OC(=O)c1ccc(F)cc1	55040557	DIGCLDBHXGCTLP-LICLKQGHSA-N	407.422	4.905	50	20	HJGD	
CN(CC(C)(C)C)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	726924235	OAEAFZIWJBCYFV-SFQUDFHCSA-N	409.921	4.529	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(-c3cccnc3)no2)sc1-c1cccc(Cl)c1	728074622	HIHWZZIMPYKGRD-UHFFFAOYSA-N	411.874	4.579	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cc(C)c(C(=O)O)o3)cc2)cc1	729937081	LGTINYVPZFIPRO-PDGQHHTCSA-N	416.433	4.719	50	20	HJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1ccc(Br)s1)O[C@H](C)C2	730435835	DBCNZOBSCAWTJA-KUKWCLJQSA-N	404.285	4.632	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cccnc2)c(C)n1-c1cccc(Cl)c1	733153111	FRKWALXVZADDLU-YODDIOPGSA-N	404.901	4.927	50	20	HJGD	
Cc1cc2nc(-c3ccccc3)cc(C(=O)NNc3ccc(Cl)nn3)c2cc1C	735689151	MOJYJYHHPSHXQW-UHFFFAOYSA-N	403.873	4.719	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cnc4ccc(Br)cn34)n2)cc1	740764757	DWJHFYTVMVUITI-RIYZIHGNSA-N	406.243	4.519	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc2c(cc1OC(F)F)OCO2	741840263	MDSUPIYQZNEXEW-LFYBBSHMSA-N	406.772	4.524	50	20	HJGD	
Cc1ccc(Br)cc1C(=O)NNc1c(F)cc(F)cc1Br	741979895	MYMINXNRDIHPPF-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
Cc1nnc(-c2cccc(NC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)c2)o1	741987661	OUIXJNBRPTZVIK-KEBDBYFISA-N	403.486	4.665	50	20	HJGD	
O=C(CCC(F)(F)F)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	742470444	SHKFDPSRDDMZGB-UHFFFAOYSA-N	416.852	4.736	50	20	HJGD	
COc1ccccc1-c1noc([C@H](C)NC(=O)CCCC[C@@H]2CCSS2)n1	742921250	KROQQLYMYHYMSA-UONOGXRCSA-N	407.561	4.637	50	20	HJGD	
Cc1cc([C@@](C)(O)CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c(C)o1	743515648	OPOGNDWSNVMICC-WSLHLDTKSA-N	423.557	4.751	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(N2CCc3ccccc3C2)CC1	743989631	UBHRMNDQPZSLCE-NRFANRHFSA-N	404.645	4.750	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1nn(-c2ccccc2F)c2c1CCC2	748009432	KHJWTPYHDUVBEC-UHFFFAOYSA-N	405.260	4.564	50	20	HJGD	
O=C(NNc1ccccc1F)c1cccnc1Oc1cccc(Br)c1	748050193	MLOVYFMYKPNLFP-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1	748672298	CAZJMCRMIKTOPU-ZCDLSOSASA-N	413.587	4.750	50	20	HJGD	
Cc1ccc(C(=O)NNc2nc(-c3ccccc3)no2)c(Sc2ccccc2)c1	752233472	NCGMGFOOXKLAIP-UHFFFAOYSA-N	402.479	4.953	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1ccccc1Oc1ccc(Cl)cc1	756219046	DHWAMYPSNPVFNB-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
O=C(CNC(=O)OCC(F)(F)F)Nc1cccc(S(F)(F)(F)(F)F)c1	762724219	OHAUTZVQZDWORL-UHFFFAOYSA-N	402.263	4.571	50	20	HJGD	
O=C(NN=Cc1cnc(C2CCCC2)s1)c1ccc(Br)cc1Cl	767788567	YIZCDFCUQYRGFE-UHFFFAOYSA-N	412.740	4.981	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccccc1OCc1ccncc1	768007503	LNJCOGCTOUFONH-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)OC[C@@H](C)CBr)c12	770343256	APRCMCZYCAPBJF-NSHDSACASA-N	408.340	4.560	50	20	HJGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Nc1cc(C(F)F)ccc1Cl	770594414	YIMCWGVYKZKPMI-VIFPVBQESA-N	418.227	4.551	50	20	HJGD	
CCSCC[C@@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773352781	WQQJPGARUVPYCV-SNVBAGLBSA-N	406.442	4.930	50	20	HJGD	
COc1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c(C)n1	782933178	FXFMXSBAPPVODL-UHFFFAOYSA-N	404.382	4.857	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1	783549544	PITNPJRDMHNXSE-UHFFFAOYSA-N	401.919	4.678	50	20	HJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)NCc1cccc(Cl)c1	786105475	INIQDXSNTYEBLH-MOSHPQCFSA-N	403.869	4.634	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1c(-c2cccc(Cl)c2Cl)noc1C	798312199	AARDZJQQXPZDKK-UHFFFAOYSA-N	419.268	4.732	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3cccc4cnccc34)s2)c(F)c1	800522176	WCQBAGWYJRWGFR-UHFFFAOYSA-N	408.458	4.571	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(Br)cc1Cl)c1cc(F)cc(C#N)c1	802829507	QBCHHUUYENPMFX-UHFFFAOYSA-N	410.674	4.534	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1F	803429810	KLBPWEYUZHESEZ-UHFFFAOYSA-N	407.832	4.745	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1nc(-c2ccccc2)oc1-c1ccccc1	805465431	KOHHCNMKCMHZQS-UHFFFAOYSA-N	411.465	4.823	50	20	HJGD	
CC(C)(C)OC(=O)N[C@H](C=NNC(=O)c1c(Cl)cccc1Cl)CC1CCC1	814833561	LXVVENZTTNGHEC-ZDUSSCGKSA-N	414.333	4.793	50	20	HJGD	
Cc1ccc2nc(C(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)ccc2c1	816641475	TVNIAJUMXOPXQT-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2CC)c1C	855634796	SRRWQXZLXGBRFM-SBGXLDQMSA-N	407.514	4.555	50	20	HJGD	
CCCN(Cc1ccc(F)cc1)C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	914505786	IIMULEGVRGFGJZ-XPCGLTFESA-N	423.532	4.769	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccc(Cl)cc1	916237996	RWVSIUANWFGWRZ-INIZCTEOSA-N	412.342	4.567	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)NC1CCC(c2ccccc2)CC1	916406395	LPYJYQDCKOLLBC-UHFFFAOYSA-N	406.313	4.664	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(-c3cccs3)no2)c1C	916482631	KWJRRWHPLUTLHY-BOPFTXTBSA-N	410.499	4.667	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccccc2OC(C)C)c1C	918818659	XSFBHKOAMQAPRH-AIRTYWKNSA-N	410.514	4.750	50	20	HJGD	
N#C/C(=C/c1csc(COc2ccc(Cl)cc2)n1)c1nc(N)c2ccccc2n1	1317960845	GZEMFAYHPXLRLL-LCYFTJDESA-N	419.897	4.965	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1	1786009894	VGDFYQRXFSOBTG-CQSZACIVSA-N	412.908	4.821	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1	1786445061	PWTPNQSARGCKSM-QGZVFWFLSA-N	420.340	4.890	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)[nH]n1	1820862597	ZMWZWGZWCNJLBH-IEZWGBDMSA-N	416.953	4.613	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1	1827410084	OFRQOZHHAPNIKZ-IAGOWNOFSA-N	422.978	4.745	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1	1828189456	UTGSTEWRVUZKLY-RTBURBONSA-N	416.949	4.684	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(Cl)Cl)CC2)CC1	1831695565	WABITWWIDHKEDG-SZMVWBNQSA-N	417.421	4.626	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(Cc3ccccc3)CC2)c1C	24426382	PANWWBFJDUFULC-KXWHUPIZSA-N	419.569	4.701	50	20	HJGD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NN=C(c1ccccc1)c1ccccc1	196383611	FVWXYNXWTCUUSV-DEOSSOPVSA-N	409.489	4.519	50	20	HJGD	
CCN(CC)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1	213817890	PCZBQEFLLNEUNH-HMAPJEAMSA-N	420.557	4.789	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)c1ccccc1Oc1ccccc1	727844041	BKDDAEFKPVEROZ-LJQANCHMSA-N	417.509	4.893	50	20	HJGD	
O=C(NNc1ccc(F)cc1)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	729620021	OOXHWDGCVITKGN-KRWDZBQOSA-N	400.454	4.792	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NN=c3cc[nH]c4ccccc34)oc2c1	730288360	FOZCSJBDPMLGIN-UHFFFAOYSA-N	409.445	4.835	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c1C	732541049	BYKUIDJSZJQFDY-AYCSXLNKSA-N	409.921	4.829	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(Br)nc3)c3ccccc3n2)o1	732838425	ORCPGOPYRUVKOL-UHFFFAOYSA-N	423.270	4.718	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2CN2CCCCCC2)cc1	732963850	DRBMDFQDFRXJCD-JJIBRWJFSA-N	417.553	4.685	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)c(C)n1Cc1ccccc1	732975142	BEHKMKHPRMFNAP-UHFFFAOYSA-N	421.888	4.614	50	20	HJGD	
Cc1oc(-c2cccs2)nc1C(=O)NNc1ccc(Br)cc1Cl	733808267	WDLSPZYUXXUOTG-UHFFFAOYSA-N	412.696	4.884	50	20	HJGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1	737544595	XRXLJPNHUSEWBZ-GFCCVEGCSA-N	423.738	4.620	50	20	HJGD	
CC(=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1cnc(C)nc1C	741458851	XGVVQRBJIAHMSU-UHFFFAOYSA-N	413.456	4.602	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cc(Br)sc2Br)c(C)c1	743762409	UBKMLUMUINUHEF-UHFFFAOYSA-N	418.154	4.955	50	20	HJGD	
Cc1ccccc1[C@@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)[C@H](C)CO1	744407648	YCZNJOPPDULOOG-GJZUVCINSA-N	419.505	4.771	50	20	HJGD	
O=C(NC[C@H]1CC1(Cl)Cl)NNc1c(Cl)cc(Br)cc1Cl	745302842	NGLVIHPSWWVDAI-RXMQYKEDSA-N	421.937	4.576	50	20	HJGD	
CCCCN(C)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	749266300	XJJZYNYWHCFFIW-UHFFFAOYSA-N	410.396	4.607	50	20	HJGD	
CC[C@@H](C#N)Oc1cc(CNC(=O)NNc2cc(Cl)ccc2Cl)ccc1OC	752968983	XJCIVEJIJMQABN-AWEZNQCLSA-N	423.300	4.509	50	20	HJGD	
COC1CCN(CCNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	752986096	YMZUEDIZHIEYTN-UHFFFAOYSA-N	403.417	4.576	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(Br)cc2C(F)(F)F)cc1Cl	753296847	DIKMUARISIVVJP-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(C#N)c(Cl)c2)cnn1-c1cccc(Cl)c1	753317927	ZZOLLBPZTLYXHV-UHFFFAOYSA-N	414.296	4.931	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1cccnc1Nc1cccc(C(F)(F)F)c1	754480425	QBVJGNHZGYAELJ-UHFFFAOYSA-N	407.783	4.649	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)C(=O)c1ccc(Br)s1	755701817	XJNDFELKSDNOCU-YFHOEESVSA-N	402.248	4.830	50	20	HJGD	
CS[C@@H](C)CC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	756854838	GQHFVAPOVZJBSA-ZDUSSCGKSA-N	408.976	4.535	50	20	HJGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	758419356	VPNOVNZWUBMRKI-BRYHAGSVSA-N	420.490	4.823	50	20	HJGD	
C[C@H](Oc1cccc(Br)c1)C(=O)NN=Cc1csc(Cl)c1Cl	761768582	GMTPKPCTSTZZRK-QMMMGPOBSA-N	422.131	4.735	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)/C(=C\c1ccco1)NC(=O)c1ccccc1	763614210	ADQSYKGKBMNCGG-SFQUDFHCSA-N	416.264	4.501	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C[C@@H]3CC=CCC3)s2)cc1	764759513	DIJPNXDXAYZUGO-OAHLLOKOSA-N	418.613	4.689	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc(Cl)c(Cl)c2)n1	768243423	OLSMPQLWALVEMY-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc(NC(=O)c2cccs2)c1	769945426	IRJPJUJWWJSBNP-UHFFFAOYSA-N	409.496	4.759	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c(C)n1CCC(C)C	774853985	UHFWVJHXMUXNKS-YBFXNURJSA-N	419.529	4.674	50	20	HJGD	
N#Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)CC2	777645738	ULDYSVFEXXXSMA-UHFFFAOYSA-N	410.389	4.967	50	20	HJGD	
Cc1cccc([C@H](NC(=O)NNc2ccccc2OC(F)(F)F)c2ccccn2)c1	779656235	NGYAMYSWWBHIFO-IBGZPJMESA-N	416.403	4.704	50	20	HJGD	
CC1CCN(CCCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782911338	XURAUGNQMUWZLS-UHFFFAOYSA-N	422.485	4.744	50	20	HJGD	
COCc1ccccc1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981866	FUJMVHQVKDAXSW-UHFFFAOYSA-N	417.421	4.969	50	20	HJGD	
CC(C)OC1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782983022	NTAIUPQCTDMXCC-UHFFFAOYSA-N	409.442	4.922	50	20	HJGD	
CCCc1c(C(=O)NNc2cccc(Cl)c2)cnn1-c1cc(F)c(OC)cc1F	785137196	XTDRXKWYXBQQIC-UHFFFAOYSA-N	420.847	4.522	50	20	HJGD	
COc1cc(NNC(=O)c2sc(COc3ccc(F)cc3)nc2C)ccc1Cl	790179074	IHPZNIFMFLJFCC-UHFFFAOYSA-N	421.881	4.589	50	20	HJGD	
Cc1cccnc1NNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	791223598	HAVJFYASKFFFFF-UHFFFAOYSA-N	415.280	4.706	50	20	HJGD	
CSc1ccccc1CN(C)C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	791898524	AWBPGYROTMSNST-YRUATGHUSA-N	423.582	4.571	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2occc2CSc2ccccc2)c1C	792946579	QSSFMSPOUATROE-UHFFFAOYSA-N	411.552	4.820	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)c(C)n1-c1ccc(OC(F)F)cc1	794885732	ZYLKIGORFRZNTD-GYXHFJGISA-N	400.425	4.598	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc3occc3c2)c(C)n1C[C@H]1CCCO1	802852319	UWDLRAUKWNIWOJ-BYUJNSPJSA-N	404.466	4.681	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@@H](O)C12CCCC2	814539716	GQLYCZFHZXZLQZ-KGLIPLIRSA-N	408.873	4.817	50	20	HJGD	
COc1cc(NC(=O)NN=C(C)c2cnc3ccsc3c2)c(OC)cc1Cl	814996070	DQOJBMIULGSAKJ-UHFFFAOYSA-N	404.879	4.513	50	20	HJGD	
CCc1nocc1CN(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	815081100	SANZWCAUENXWEG-UHFFFAOYSA-N	406.398	4.715	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCN(c2ccnc3ccccc23)CC1	816562798	ZGHCJOJWTYWUKZ-KRWDZBQOSA-N	401.601	4.598	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)cc1	817895885	IICFRMWNHRUJIK-UHFFFAOYSA-N	404.495	4.756	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)cc1	817900230	ZNFPXFFYSSLEKC-UHFFFAOYSA-N	408.502	4.844	50	20	HJGD	
COc1ccc(OCC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cc1	878640393	DPBKTUSHVOOXNS-INIZCTEOSA-N	405.825	4.932	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C3CCN(C(C)C)CC3)c2C)cc1	904219687	XTOMQLIXZBKQLW-KQWNVCNZSA-N	418.585	4.641	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2Cl)c(C)n1C[C@H]1CCCO1	912704619	QOLYKPPVBFSYOM-YZIPPPLESA-N	401.869	4.622	50	20	HJGD	
N#C/C(=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)Nc1ccccc1F	915982611	OLIPOZHQSGGFHL-KAMYIIQDSA-N	400.335	4.576	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1nc(N)c2ccccc2n1	1252684212	DITIUXBCXMHHFK-FOWTUZBSSA-N	409.405	4.977	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C=O)s3)CCC2)cc1	1786443797	IXWBIUQCRZAEQY-QGZVFWFLSA-N	418.946	4.716	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccccc3)cc2)CCC1	1790213181	HONLPOMPGOXXQM-FQEVSTJZSA-N	405.325	4.671	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)COc3ccc(C)cc3)CCC2)cc1	1790485476	BTXHPKUSVUYLCB-FQEVSTJZSA-N	414.933	4.525	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1)c1ccccc1Cl	1791607219	WHCIPONCCCZXER-UHFFFAOYSA-N	411.716	4.891	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1	1830306018	GFAWYWLDPUBXAL-DLBZAZTESA-N	422.978	4.745	50	20	HJGD	
Cc1c[nH]cc1C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124587	KIWYNWLOWSAJHX-UHFFFAOYSA-N	422.013	4.890	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC	5474917	IDVSXNLXEQNVJS-OQLLNIDSSA-N	415.287	4.711	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cccc3ccccc23)c1C	27601900	GHGFIGGVSOEAEN-GNFOSXPUSA-N	401.510	4.689	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1C	209184751	MXJCNFMDBNIQGJ-OOIVEFLKSA-N	403.530	4.812	50	20	HJGD	
Cc1cccc(OCCCCC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	303038708	SHTSRRROYBCDHV-UHFFFAOYSA-N	411.380	4.614	50	20	HJGD	
CCOc1cc(C=NNC(=O)c2ccc[nH]2)ccc1OCc1c(F)cccc1Cl	725854808	OMJHZWHXWNGUMS-UHFFFAOYSA-N	415.852	4.549	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(C2CC2)nn1-c1ccccc1	727174568	ZOKSOQXRRKUGEV-UHFFFAOYSA-N	419.554	4.505	50	20	HJGD	
O=C(CCCc1ccccc1)NN=Cc1cc(Br)ccc1OC(F)F	727689680	ZLVWVFLZTBCTBK-UHFFFAOYSA-N	411.246	4.524	50	20	HJGD	
Cc1cc(C)c2c(-n3cccc3)c(C(=O)NNc3ccc(F)c(F)c3F)sc2n1	728718974	YOHRGRNASVJRBJ-UHFFFAOYSA-N	416.428	4.878	50	20	HJGD	
Cc1noc(C)c1CCNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	730503618	QAAQALHJKKJURD-UNOMPAQXSA-N	422.916	4.618	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1	730588396	XCUOAXGTBLNZQG-JKSUJKDBSA-N	424.353	4.513	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc([S@@](C)=O)c3)c2C)c1	732123333	XCZCLGHEYTXDIY-GSIQVWSFSA-N	417.534	4.686	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2cnnc3ccccc23)c(-c2ccccc2Cl)n1	733810494	MJXLQKWFFBFPQX-UHFFFAOYSA-N	420.904	4.659	50	20	HJGD	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NN(Cc2ccccc2)c2ccccc2)c1	733851596	DSBKPFFTIBCAPK-QHCPKHFHSA-N	414.509	4.789	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1	735687372	FTQIJJREOHZBMI-UHFFFAOYSA-N	414.796	4.514	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](CC)C(=O)c2ccc(OC)cc2)c1C	738590403	IPZUTOKHKRGABY-VOSMRYOYSA-N	408.498	4.635	50	20	HJGD	
C=CCOc1ccc(OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1	742862199	VBGIOLIXPJUXCG-SILNSSARSA-N	424.460	4.541	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)Nc1ccc(Br)cc1Cl	743805633	JMYLBSIQZRDYOV-UHFFFAOYSA-N	409.593	4.665	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)CC(F)F)c1C	744379117	STAPHBANLRXNCG-BYINCCNUSA-N	415.484	4.513	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)NNc1cccc2cnccc12)c1ccccc1	748770118	XWNNSFXKJBYXRL-FQEVSTJZSA-N	420.513	4.724	50	20	HJGD	
COC(=O)c1cc2c(/C=C(/C#N)c3nc(-c4ccc(C)cc4)no3)ccc(OC)c2o1	749011293	SOVFRCDMYXZPNN-YBEGLDIGSA-N	415.405	4.651	50	20	HJGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1	751515881	GFMKBZGUNAQDIB-SFHVURJKSA-N	400.906	4.760	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC(=O)c2cccc(Cl)c2)c1	759649265	XAPYJTYYGXTQCJ-UHFFFAOYSA-N	410.905	4.731	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(-n2ccc(C(F)(F)F)n2)c1	761047292	MWFIHIGBRDDBFD-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NNc1cccc(C#N)c1	767942397	DYJAZAZYURYKCQ-UHFFFAOYSA-N	419.872	4.921	50	20	HJGD	
CC(C)N(CCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(C)C	772811677	SQOGXTJYGFSDEZ-UHFFFAOYSA-N	417.444	4.518	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1cccc(Oc2ccccn2)c1	779435040	LKLIVDADDYIWGS-UHFFFAOYSA-N	404.348	4.921	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl	780148984	VXGAKLXCNLOUSQ-VIZOYTHASA-N	415.255	4.923	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C	783446145	HSAQFRGYIQWKKG-QGZVFWFLSA-N	421.472	4.664	50	20	HJGD	
CC(C)(C)c1ccc(-c2ccc(C(=O)NNc3nnc(-c4ccccn4)s3)o2)cc1	788565103	KGCQBQCGHRBNAK-UHFFFAOYSA-N	419.510	4.915	50	20	HJGD	
COc1cc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)ccc1Cl	790177547	HKCJZNJRODUXJS-UHFFFAOYSA-N	422.872	4.860	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cc(C2CC2)nc2ccc(Cl)cc12	790594053	CPAOPCCSAJSDKO-UHFFFAOYSA-N	400.797	4.570	50	20	HJGD	
O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NNc1cc(Cl)cc(Cl)c1	791713987	DVTFBGZJDJOXAM-AWEZNQCLSA-N	416.717	4.593	50	20	HJGD	
CO[C@H](C)c1nsc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)n1	800991018	WWDKKRQJJXQNCX-CJMVGXJBSA-N	421.526	4.507	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)nc(CC)n3C2CC2)cc1	802185509	JWJVFJYIIAJMRM-CPNJWEJPSA-N	414.509	4.556	50	20	HJGD	
OCC1CCN(Cc2ccccc2NCc2ccc(OCCCCl)cc2)CC1	811469076	CBIOVUIAGFNUBZ-UHFFFAOYSA-N	402.966	4.511	50	20	HJGD	
O=C(NNc1ncncc1F)c1cccc(CSc2cc(Cl)ccc2Cl)c1	817069920	ATANBIKJDMESIK-UHFFFAOYSA-N	423.300	4.972	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2)c1Cl	917538818	QGOLURGGIZXETI-UHFFFAOYSA-N	412.491	4.695	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1	917855978	GHFUUYYUKOQGJU-MRXNPFEDSA-N	420.987	4.646	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nnc(C(F)(F)F)s2)c(C)n1CCC(C)C	918150651	CWMPJRKHWZGBFO-RIYZIHGNSA-N	411.453	4.567	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(Br)cc2)cc1	932526802	PNSMRJBRQMWAMP-UHFFFAOYSA-N	406.280	4.553	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H](c1ccccc1)c1cc2ccccc2o1	1323180317	YVFNXVZWMDPIGM-OAQYLSRUSA-N	419.868	4.820	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1	1786042637	NTPPNWPQHLNJKA-OAQYLSRUSA-N	423.944	4.642	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3)cc2)CCC1	1790262181	WGWNUJVPPMRNCH-HXUWFJFHSA-N	423.315	4.810	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)sc1Cl)C2	1793683373	XKZLXVJWFNQQEN-NOHGZBONSA-N	423.793	4.714	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)[nH]n1	1815326851	QZCASPQCKYVNCX-HHXXYDBFSA-N	416.953	4.613	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1	1820852228	AJGUZJFNLHKISJ-UYAOXDASSA-N	424.932	4.886	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C)CC1	1829940672	RKTBSENPDQRJDP-NHCUHLMSSA-N	404.982	4.636	50	20	HJGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1sc(-c2ccc(Cl)cc2)nc1C	727648851	TVDCDLQAKUDCLB-UHFFFAOYSA-N	423.929	4.662	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(Cl)cc1Cl	728427874	JTSFIKFVPOQWLQ-UHFFFAOYSA-N	420.277	4.610	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@@H](c1ccc(Cl)cc1)C1CCCC1	729616402	VLIJVVMJSAGLGJ-LJQANCHMSA-N	417.962	4.766	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1	730595806	FTHXNSCUXCSGCB-HUUCEWRRSA-N	408.354	4.732	50	20	HJGD	
Cc1cc(C(=O)NNC(=S)Nc2ccccc2C(C)C)cc(C)c1OC(F)F	730832463	NZALVOAHYOMTBC-UHFFFAOYSA-N	407.486	4.660	50	20	HJGD	
COc1cc(Cl)ccc1CNC(=O)NNc1nc(Cl)c(Cl)cc1Cl	730913216	DMFGUQMZFWNHJP-UHFFFAOYSA-N	410.088	4.530	50	20	HJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(OCc3occc3C(=O)O)cc2)c1C	730949474	WZIIVCKLPHDDRK-PDGQHHTCSA-N	401.418	4.964	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)Cc2ccc(C)cc2C)c1C	731181060	ZYGFEIUPVDLAIX-IBDRQXQLSA-N	407.558	4.584	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1sc(-c2cccc(Cl)c2)nc1C)c1ccccc1	731999445	UPJGRGKZVBFJPS-QGZVFWFLSA-N	413.930	4.727	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccccc2F)c(C)n1-c1ccc2c(c1)OCCO2	734482477	BRAXKRVQYIRESY-PDGQHHTCSA-N	402.425	4.794	50	20	HJGD	
Cn1nc(-c2ccccc2)c(C=NNC(=O)c2c(Cl)cccc2Cl)c1Cl	734748098	HGQYYLORPWUTFU-UHFFFAOYSA-N	407.688	4.811	50	20	HJGD	
CC(C)[C@H](CO)N(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccccc1	741791096	BFZUFHVQJAJHRV-SANMLTNESA-N	421.521	4.520	50	20	HJGD	
C[C@@H]1C[C@H]1[C@@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1	743660743	QVEDBEIWZBXNOD-VMTAWSOPSA-N	415.965	4.584	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2sc(-c3cccs3)nc2C)c(Cl)c1	743825081	RCDKRCXQYGHDJJ-UHFFFAOYSA-N	406.920	4.608	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2ccccc2F)nn1-c1c(Cl)cccc1Cl	748059055	FPHCEOIQBQQOCN-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cccc(-n2ccc(C(F)(F)F)n2)c1	748578065	WWVFGUXAQOXGDS-UHFFFAOYSA-N	400.404	4.527	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1cc(C)c(Cl)cc1OC	748583965	KHKLNFULSASQOL-RIYZIHGNSA-N	415.833	4.510	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)s1	748694641	QSHDBBXDNFFFMS-VIFPVBQESA-N	423.254	4.699	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(C2SCCS2)cc1	748730611	ACDIYRNCDWYTLJ-UHFFFAOYSA-N	409.374	4.993	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(Cl)ccc1Br	748744421	RQKGCLXGBLDIRQ-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cn(-c2ccccc2)nc1-c1cccs1	748754297	MQRDVCLBFCUQGR-UHFFFAOYSA-N	411.490	4.906	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CCCC2)c1C	749137074	CXKRVUXQYJJSJO-YQYFLZKSSA-N	411.468	4.553	50	20	HJGD	
O=C(NCc1nnc2n1CCCCC2)Nc1ccc(S(F)(F)(F)(F)F)cc1	752976588	XDKVBRRHRGUORQ-UHFFFAOYSA-N	411.400	4.984	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn([C@@H](C)CC)c1C1CC1	753177386	XUKHPVWMIZASFG-LBPRGKRZSA-N	405.340	4.813	50	20	HJGD	
Cn1cc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c2ccccc21	755492013	WMTXGZNNMXLBTC-UHFFFAOYSA-N	405.461	4.552	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccccc1SCC(F)(F)F)c1ccccc1	755595252	RTEFXCHCGFNIIX-CQSZACIVSA-N	411.449	4.688	50	20	HJGD	
N#Cc1ccc(Oc2cccc(NC(=O)NNC(=O)CCCc3ccccc3)c2)cc1	756408021	IQPHAWBQMNMFMN-UHFFFAOYSA-N	414.465	4.526	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccccc3)cnc2C)c1C	760784919	MOTSJEUAIQTWND-XKZIYDEJSA-N	414.509	4.667	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1cc(-c2cccc3ccccc23)nc2ccccc12	760920052	IIYMLKDGIHETJV-UHFFFAOYSA-N	409.424	4.741	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1csc(-c2ccc3c(c2)OCCO3)n1	763614239	CAKRTFVDYIENJM-UHFFFAOYSA-N	422.293	4.645	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1nc(Br)sc1C1CC1	764114125	ATUSDOIFNCRQDP-UHFFFAOYSA-N	406.227	4.559	50	20	HJGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNc1ccc(Br)cc1Cl	767957452	FXZCTDIDSZNQOT-UHFFFAOYSA-N	417.694	4.625	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)C(=O)Nc1cccc(Cl)c1SC(F)F	770812541	XPVFEUYMTLMHAP-UHFFFAOYSA-N	424.231	4.529	50	20	HJGD	
O=C(Cc1nc(-c2ccc(F)cc2)cs1)NNc1ccc(F)cc1Br	773454731	DCTLSRZPEDPHTP-UHFFFAOYSA-N	424.270	4.537	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(Cl)c2ccccc2n1	774353414	GCSNMKLRFFYEHC-UHFFFAOYSA-N	410.739	4.572	50	20	HJGD	
CCOc1ccc([C@@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)C(C)C)cc1OCC	776617939	WBVMOINMAYPKHT-FOYGFLCZSA-N	408.498	4.610	50	20	HJGD	
O=C(NNc1ncncc1Cl)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	782017816	AUVJOEYVEQXIMB-SECBINFHSA-N	418.737	4.565	50	20	HJGD	
COC(=O)c1cc2c(/C=C(\C#N)C(=O)c3ccc(Cl)s3)ccc(OC)c2o1	783687988	SCIVJKIUUKFXSK-YRNVUSSQSA-N	401.827	4.733	50	20	HJGD	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	787395373	UWGPWQMLXRIOBD-QLENYVDCSA-N	407.470	4.524	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(-c2ccncc2)n1	788348505	CEEDBZUJUREFHC-HMMYKYKNSA-N	418.460	4.558	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cccc(C(=O)Nc2ccccc2)c1	806358384	QVRIUNRDFUAXQG-UHFFFAOYSA-N	416.868	4.897	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1	812766393	NVBFODJXEVHZET-UHFFFAOYSA-N	404.392	4.944	50	20	HJGD	
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1ccc(Cl)cc1	865992592	HPYDENZHZHDCPP-UHFFFAOYSA-N	418.884	4.958	50	20	HJGD	
CCCN(Cc1ccc(F)cc1)C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	914505940	IIMULEGVRGFGJZ-YMSBRDKKSA-N	423.532	4.769	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	915982498	GAPWIWYMQKEECS-DZBQEORWSA-N	406.436	4.552	50	20	HJGD	
N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)Nc1nc(-c2ccccc2Cl)cs1	916129141	WSKRKIYQRXMUIM-ZROIWOOFSA-N	423.881	4.780	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(Oc3ccccc3)CC2)c(C)n1CC(C)C	1251224579	FLUOGPGYBJKQRM-PXLXIMEGSA-N	405.542	4.738	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)c1nc(N)c2ccccc2n1	1318406545	QQWVZKPVGOWTOP-NDENLUEZSA-N	403.445	4.727	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](OC)c3ccccc3)cc2)CCC1	1787852953	YRPFZTMZFJXOJV-PMACEKPBSA-N	414.933	4.526	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C3(C(F)(F)F)CCC3)cc2)CCC1)C(Cl)Cl	1787938733	BADQWEVVJMPKCL-UHFFFAOYSA-N	423.262	4.657	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC)cc3)cc2)CCC1	1788000492	ZAXZRAPGYFQUKE-HXUWFJFHSA-N	413.949	4.884	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4nc[nH]c34)cc2)CCC1	1788430328	HFJVQQVNIRZDCQ-SFHVURJKSA-N	424.932	4.718	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccc(C2CC2)cc1	1788588981	RTWUCALXXRUQFA-IBGZPJMESA-N	400.881	4.846	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cc[nH]c4c3)CCC2)cc1	1790487121	RNRDUDUYNRSOMK-IBGZPJMESA-N	409.917	4.933	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1	1830991003	PCIDJKNXWRHYQM-VQTJNVASSA-N	416.949	4.684	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)C(Cl)Cl)CC2)CC1	1831880645	HPAZGFFZPMFVDX-KBAYOESNSA-N	417.421	4.626	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cc3ccccc3o2)c(C)n1C[C@@H]1CCCO1	26386421	GWAINJSUDSWPFQ-HJMFMTMTSA-N	417.509	4.815	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(=O)NC1CCCC1	208309945	IMCUXIGTLDBOBD-CKDIWJPDSA-N	406.326	4.524	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1C	728613631	BYCZKTFWDWUULW-UHFFFAOYSA-N	416.506	4.599	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1	730283806	HBOQOJJAMNLZBM-HXUWFJFHSA-N	404.482	4.526	50	20	HJGD	
C[C@@H](NC(=S)NNC(=O)C(C)(C)c1ccccc1)c1ccc(Cl)cc1Cl	731160727	AYVAQLCZJZFEEC-GFCCVEGCSA-N	410.370	4.528	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccnc(-c3ccccc3)c2)c1C	732150891	KDGJBWOTJBBNOV-ZFJBLLOBSA-N	414.509	4.920	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)N(CC(F)(F)F)C1CC1	732714700	CSLROWHQYJWWKH-NTEUORMPSA-N	422.838	4.603	50	20	HJGD	
O=C(NCc1ccc(Cl)cc1)NNC(=S)Nc1ccccc1-c1ccccc1	732928564	MKGGZLHANFNXBU-UHFFFAOYSA-N	410.930	4.708	50	20	HJGD	
CCOC[C@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1	733763411	UEUHDMZFYOOJKS-KUOTXRDYSA-N	405.542	4.585	50	20	HJGD	
C[C@H]1C[C@H](CC(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC(C)(C)C1	734257877	ULLVBIXXNNGTRX-UONOGXRCSA-N	421.467	4.853	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	734553144	GCPHLXMRUPMTMI-UHFFFAOYSA-N	402.332	4.513	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)Cc2c(C)noc2C)c1C	737667769	WPLIQFVPGUJYAO-NXUSMQHESA-N	416.525	4.662	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ncc(-c3ccccc3)o2)c1C	741294489	CMPHWFXNSAFKHW-LZAZYHHXSA-N	419.481	4.618	50	20	HJGD	
Cc1cc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)c(C)n1Cc1ccco1	741772493	YBXNLHMPWZDIAM-UHFFFAOYSA-N	402.401	4.503	50	20	HJGD	
CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(CCCCl)cc2)s1	742303006	UMBXDUSOBKATNJ-CQSZACIVSA-N	400.997	4.567	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)N2CCn3c2nc2ccccc23)cc1	742350147	RCMADKYVFDXAHX-SILNSSARSA-N	420.472	4.666	50	20	HJGD	
CCOc1cc(Br)c(CC(=O)NNc2cc(C)cc(C)c2)cc1OCC	743975478	IMWCZODWOKSIAO-UHFFFAOYSA-N	421.335	4.549	50	20	HJGD	
Cc1cnc([C@@H](NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)C2CC2)s1	745865886	CGVLIARWSAKCKA-IBGZPJMESA-N	421.526	4.606	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3cc(F)c(F)c(F)c3)c2C2CC2)cc1Cl	746704634	CHRGONPYQRNHHG-UHFFFAOYSA-N	420.822	4.886	50	20	HJGD	
CCN(CCc1ccccn1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	746831137	QXKQAQSMPHPZPS-LTGZKZEYSA-N	416.500	4.626	50	20	HJGD	
COc1ccccc1OCc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)o1	747608866	CAKNTWHDCHVVRP-UHFFFAOYSA-N	406.360	4.643	50	20	HJGD	
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNc1ccc(Cl)cc1Cl	748018876	QZYVTVHVVIRWMS-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(F)cc2Br)ccc1OC1CCCC1	748081288	VHKMVJNYDLBPGG-UHFFFAOYSA-N	423.282	4.675	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)c1	748362783	UFEODUODSPOHTA-UHFFFAOYSA-N	406.269	4.934	50	20	HJGD	
O=C(/C=C\c1ccccc1OC(F)(F)F)NNc1ccc(OC(F)(F)F)cc1	748498191	RYVRDEZPLXLAOA-YHYXMXQVSA-N	406.282	4.640	50	20	HJGD	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNc1ccc(OC(F)F)cc1	748659494	OHDXQLCKELAEJU-UHFFFAOYSA-N	407.417	4.540	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)c(Cl)c2)cc1	754826973	JWNQPJKKBJTZCB-MDWZMJQESA-N	418.678	4.607	50	20	HJGD	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccc(OC(F)(F)F)cc1	759970660	JTKMXJCUXFYWLL-NSHDSACASA-N	400.784	4.591	50	20	HJGD	
COc1ccc(NNC(=O)c2sc3cccc(Cl)c3c2Cl)c([N+](=O)[O-])c1	768329065	NTYIPJRNGDEKIB-UHFFFAOYSA-N	412.254	4.882	50	20	HJGD	
CC(C)n1c([C@H]2CCCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)C2)nc2ccccc21	776654760	TUCRCBFTBSZVDB-QIYXJHPLSA-N	414.509	4.636	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(Br)cc2cccnc12	777478996	BTZRMKTXMXLULZ-UHFFFAOYSA-N	407.271	4.611	50	20	HJGD	
O=S(=O)(Nc1nc2c(s1)COCC2)c1cccc(S(F)(F)(F)(F)F)c1	777668672	RPGHKXMXUUPSSU-UHFFFAOYSA-N	422.422	4.674	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@@H]1CCSc2c(F)cccc21	779526051	ZZMYREPYACZFMY-GFCCVEGCSA-N	401.385	4.588	50	20	HJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	782522165	ACTQUGJUCNYPRG-JSAJWXMXSA-N	403.360	4.552	50	20	HJGD	
Cn1cc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(C(F)(F)F)n1	782803361	BNMNKNSECHLRQS-UHFFFAOYSA-N	402.591	4.548	50	20	HJGD	
CC(C)Nc1ccc(Br)cc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	787404828	ZAUCQUJSCQGLGA-NTEUORMPSA-N	400.276	4.521	50	20	HJGD	
CCCN(N=C(C)c1ccc(CNC(=O)OC(C)(C)C)nc1C)C(=O)OC(C)(C)C	794998106	ISHHCKBNLOOQEJ-UHFFFAOYSA-N	420.554	4.786	50	20	HJGD	
Cc1cccc(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1	795201652	YZOSVMNOYGCIFI-UHFFFAOYSA-N	402.410	4.568	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCC(F)F	809147998	ZZNGPDZWGUBLCL-LZYBPNLTSA-N	416.424	4.510	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CCCC[C@@H]3CCCO)cc2)cc1	814705464	BZVHEDPWLAJSSY-HXUWFJFHSA-N	424.541	4.713	50	20	HJGD	
CC(=O)N(c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1)C1CC1	819021511	ZYUPGQOENBZQOM-BKUYFWCQSA-N	418.541	4.822	50	20	HJGD	
Cc1c([N+](=O)[O-])cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-]	911603980	LURBYJSRTNMLSL-UHFFFAOYSA-N	419.608	4.529	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cc(Cl)ccc1OCc1cccnc1	914693680	KWPJVAUOHJGCQK-UHFFFAOYSA-N	414.292	4.660	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)c1C	916080848	NMPDHPMVLYYHMP-FGGAIWKESA-N	411.521	4.701	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2C)CC1	1830313766	RWKGZZKMHSZSRU-VXKWHMMOSA-N	419.009	4.565	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c1C	5870023	MAQXAXDBJKGSER-RGVLZGJSSA-N	418.493	4.889	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(F)ccc2F)c(C)n1CCC(C)C	21610874	USBAKUDXIJNQHJ-VCHYOVAHSA-N	414.452	4.762	50	20	HJGD	
O=C(COCc1nc2ccccc2s1)NN(Cc1ccccc1)c1ccccc1	32255753	ITQVIYVBMSHZAL-UHFFFAOYSA-N	403.507	4.551	50	20	HJGD	
COc1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)ccc1O	261392960	PVCXLBRNNCAEEN-DEDYPNTBSA-N	407.514	4.548	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](O)c2ccc(F)cc2)c(C)n1C1CCCCC1	725883539	KXNIWAAESXQIQQ-JPFXZVHCSA-N	409.505	4.506	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc([C@H](C)O)cc2)c(C)n1C1CCCCC1	726192636	DFFFKRAMUWOHDV-WQZUMXOESA-N	405.542	4.887	50	20	HJGD	
CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1C	727974997	RXWLKXUJKYYYKS-LICLKQGHSA-N	405.527	4.806	50	20	HJGD	
Cc1cccnc1CNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	729438279	RWWKLMLMWZJYTJ-ODLFYWEKSA-N	404.901	4.674	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@H](c1ccc(Cl)cc1)C1CCCC1	730127058	YYPQSVAYMSONDM-NRFANRHFSA-N	422.916	4.764	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(CCC(=O)NNc3nccc4sccc34)c2C)cc1	734249482	BYPRIQFRZDLBAF-UHFFFAOYSA-N	419.554	4.542	50	20	HJGD	
COc1ccc(NC(=S)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1F	741856985	VRPVYCFTKZWWIV-UHFFFAOYSA-N	410.474	4.524	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2)n1)NNc1c(F)cc(F)cc1Br	741978333	DQKOCRPRDMVRLA-UHFFFAOYSA-N	424.270	4.537	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1	744569492	CWWXNKZCGBVXIL-YZYPPFLQSA-N	403.438	4.655	50	20	HJGD	
O=C(NC[C@@H]1CC1(Cl)Cl)NNc1c(Cl)cc(Br)cc1Cl	745302847	NGLVIHPSWWVDAI-YFKPBYRVSA-N	421.937	4.576	50	20	HJGD	
N#Cc1ccc(Cc2cnc(NC(=O)NNc3ccc(C(F)(F)F)cc3)s2)cc1	746672895	SYFKDHLJQNCHMK-UHFFFAOYSA-N	417.416	4.773	50	20	HJGD	
N#Cc1ccc(NNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1	748114982	NWCUGFIKKUHFAE-UHFFFAOYSA-N	401.253	4.596	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1	748667175	IYDLIMFPDMTHPK-HXUWFJFHSA-N	421.566	4.680	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1	748672867	NQOQVECMTCMQDL-UHFFFAOYSA-N	414.443	4.762	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CCCC2)c(C)n1C[C@H]1CCCO1	749138359	RJOZVSRCJQDCNH-BUDOKORBSA-N	423.479	4.524	50	20	HJGD	
CC[C@H](C)n1ncc(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)c1C1CC1	762729627	TWXHCXQRZOBWLD-ALDXOISLSA-N	423.561	4.903	50	20	HJGD	
CCn1nc(C)c(C(=O)/C=C/c2ccc(OCCBr)c(Cl)c2)c1C	763114027	LVVCZEQKJANLGA-FNORWQNLSA-N	411.727	4.843	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F	767942122	VWGFCFFPXFHEMZ-MRXNPFEDSA-N	423.330	4.559	50	20	HJGD	
CC(C)c1noc(-c2ccc(NC(=O)NNc3ccc(OC(F)(F)F)cc3)cc2)n1	769994047	RWXWIMOQBANVGI-UHFFFAOYSA-N	421.379	4.907	50	20	HJGD	
COc1cc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)ccc1Br	770059513	GAVPOPWSIAXNDY-UHFFFAOYSA-N	420.185	4.505	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc(NC(=O)c2cccs2)c1	771103430	GEZNUIQVGXRDQJ-UHFFFAOYSA-N	404.854	4.942	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	773740612	FNCQJUJDGWNHGV-UHFFFAOYSA-N	415.371	4.580	50	20	HJGD	
CCc1c(C(=O)NNc2nc3ccccc3cc2C)cnn1-c1cccc(Cl)c1	777481560	AKOOCUMQKMGELF-UHFFFAOYSA-N	405.889	4.702	50	20	HJGD	
Cc1sc([C@@H](C)NC(=O)NNc2ncncc2Cl)nc1-c1ccc(Cl)cc1	781005101	UIMVHQRDNLJQLC-SECBINFHSA-N	423.329	4.603	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1	785990951	MGLDXOPMTJHCQG-UHFFFAOYSA-N	416.868	4.637	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1C(=O)N(C)C(C)C	786053341	QLDHLFUQJYXUOK-UHFFFAOYSA-N	408.424	4.643	50	20	HJGD	
COC(=O)c1ccc(COC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)o1	786423063	CAYXMTCESRIAQX-PDGQHHTCSA-N	410.470	4.640	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(F)cc2)C2CC2)c1C	790312323	QAMJCBWLYHNXDB-CTPANLQCSA-N	409.505	4.550	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)CCc2cnc3ccccc3c2)cc1	798123379	ASLHLOZFDCKDLF-UHFFFAOYSA-N	406.555	4.528	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)[C@H](Sc1ccccc1F)c1ccccc1	805462953	HVRIVMZEOYVEMD-HXUWFJFHSA-N	408.502	4.860	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(OC)cc1	810200592	OUUABJRGWDSDGR-UYRXBGFRSA-N	400.482	4.756	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)c(COC(C)C)c2)c(C)n1CC(C)C	811594055	KSAFMMRNLYRRJQ-JMIUGGIZSA-N	409.530	4.937	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c(OC)c1	812246009	ASSNJFYSOYCZEX-BJMVGYQFSA-N	413.193	4.944	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(C)n1CCC(C)C	864335392	NZTNOFZILOVLQS-DWFNGTSHSA-N	422.573	4.604	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc3ccccc23)c(C)n1C[C@H]1CCCO1	914478391	KYLXSMZIANUZOS-JXCKLXDISA-N	413.521	4.661	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCN2CCC[C@@H]2C1	915683549	VFWPGTQKQHJDLI-JMSVASOKSA-N	407.889	4.654	50	20	HJGD	
CC(C)CNC(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	915884072	QROGNTAIZRRZGO-UHFFFAOYSA-N	417.509	4.533	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2CN2CCCC[C@H]2C)cc1	918585712	VXMXJZVTHUPFIH-VMTJQQBPSA-N	417.553	4.683	50	20	HJGD	
C[C@@H]1CN(C(=O)c2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)C[C@@H](C)O1	918676096	KFIAUMITPJMLHO-MDZRGWNJSA-N	422.616	4.589	50	20	HJGD	
Cc1[nH]nc2ncc(NC(=O)/C(C#N)=C\c3cc(C)n(C4CCCCC4)c3C)cc12	920212803	KHKRKBNLBJQDFN-ZDLGFXPLSA-N	402.502	4.736	50	20	HJGD	
O=C1Cc2cc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)c(Cl)cc2N1	1116136065	PUHDPSFLSBNWIV-UHFFFAOYSA-N	405.068	4.552	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)c1ccnc(C)n1	1116760913	PVSJWOSNWRYCAB-UHFFFAOYSA-N	410.477	4.671	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCC2CCOCC2)c(C)n1-c1cccc(Cl)c1	1251853417	KMBCTCWANXYDHY-DEDYPNTBSA-N	411.933	4.587	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)s3)cc2)CCC1	1789862440	DBLBCUVTFJUPOE-ZDUSSCGKSA-N	412.342	4.562	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Oc3ccccc3)CCC2)cc1	1790488005	CNVXYJQFBCCNQJ-OXQOHEQNSA-N	414.933	4.605	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3)CCC2)cc1	1790493714	VTQOXCVSMAGHBA-FQEVSTJZSA-N	405.325	4.671	50	20	HJGD	
CC[C@H](Br)C(=O)Nc1ccc(C2(NC(=O)c3occc3C)CCC2)cc1	1791359572	SBSCFEPABIJGPN-INIZCTEOSA-N	419.319	4.509	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)ccc2C)[nH]n1	1815323645	AMYOUDXYUXTTCI-PKOBYXMFSA-N	416.953	4.740	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C3CC3)cc2)n[nH]1	1821306540	KGFTWRTYXHMIJX-IEBWSBKVSA-N	414.937	4.610	50	20	HJGD	
CCCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](Cl)CC)CC2)cc1	1830105162	BJTJIPBTKKTXDT-FCHUYYIVSA-N	419.009	4.890	50	20	HJGD	
C[C@H]1C[C@@]1(C)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845125027	HLTJAZKDWADZFP-SIKLNZKXSA-N	411.030	4.986	50	20	HJGD	
Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	7633993	SLDYFSIKJCVXAK-CNSRZQHFSA-N	421.541	4.855	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2sc3cc(F)ccc3c2Cl)c(C)c1	15428155	GDQICHZGCWGBDZ-UHFFFAOYSA-N	407.923	4.942	50	20	HJGD	
COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CCCC[C@@H]1CCSS1	22218826	ZOUKTQMZMWWZEA-TZMCWYRMSA-N	417.980	4.933	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1	206948921	LXBAXQZQXZKOHJ-QHSFOXILSA-N	407.473	4.922	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1C	727055724	SVKSMFMINYGJBJ-ZBQXLVNBSA-N	419.569	4.843	50	20	HJGD	
CCOc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)ccc1C	727342723	PUMKBEKDIWPISX-ZRELAVNMSA-N	407.514	4.537	50	20	HJGD	
O=C(CCl)NCCc1nc(O)c2c(-c3ccc(-c4ccccc4)cc3)csc2n1	733368939	VLTWIRXRJNYRSS-UHFFFAOYSA-N	423.925	4.628	50	20	HJGD	
N#CCc1ccc(Oc2ccc(C(=O)NNc3nccc4sccc34)cc2)cc1	734248839	YLMRIAOCRLXRJB-UHFFFAOYSA-N	400.463	4.912	50	20	HJGD	
CCOC(=O)NNC(=O)c1ccc(N[C@H](C)c2cc(Cl)ccc2Cl)c(C)c1	741282981	DPELQCQDNKJUHB-GFCCVEGCSA-N	410.301	4.866	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3cccc(COC)c3)cc2)cc1	743423899	YMZSVXXZTVNLKJ-UHFFFAOYSA-N	418.493	4.575	50	20	HJGD	
O=C(NN=C(Cc1ccccn1)c1ccc(Cl)cc1)c1cccc2ncccc12	745202744	BGICTUHJMZTPQC-UHFFFAOYSA-N	400.869	4.660	50	20	HJGD	
C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NNc1ccc(OC(F)F)cc1	748654191	GHFVBYHVGRCZMV-CQSZACIVSA-N	413.424	4.589	50	20	HJGD	
CCN(C)C[C@@H]1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	749225637	NVPFKMWMYZRIHQ-SWLSCSKDSA-N	409.905	4.711	50	20	HJGD	
Cc1csc(Sc2ccc(NC(=O)NNC(=O)c3cc4ccccc4o3)cc2)n1	756173231	JGLBNQMHLIQGLG-UHFFFAOYSA-N	424.507	4.815	50	20	HJGD	
Cc1csc(Sc2ccc(NC(=O)NNC(=O)C3CCCC3)cc2Cl)n1	756316532	ZTIDTWNJIXIQSH-UHFFFAOYSA-N	410.952	4.599	50	20	HJGD	
Cc1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)ccc1S(N)(=O)=O	762603369	CDDLLQVGSKYQDS-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
Cn1cccc1[C@H]1CCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762636650	KNXRVDYGRNGYPX-OAHLLOKOSA-N	423.407	4.985	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1	766262063	QBIMKZSOQWOSDR-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(OCc2cccnc2)c1	766486056	XRGIDOJKUFQCKT-MTJSOVHGSA-N	413.477	4.832	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(Cl)nc(N2CCCC2)c1	767407399	QNGKHBZABVSLPW-UHFFFAOYSA-N	403.672	4.538	50	20	HJGD	
CN1CCC2(CCCN2C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	768863433	ODJUOAFVLRXVSY-HNNXBMFYSA-N	421.916	4.998	50	20	HJGD	
N#Cc1ccc(Oc2cccc(NC(=O)NNc3ccnc(Br)c3)c2)cc1	771143730	ILIPZQJKNAYVSC-UHFFFAOYSA-N	424.258	4.657	50	20	HJGD	
Cc1coc2ccc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)cc12	775447304	OIEGTJAHQRWTQX-IDQDRXHYSA-N	403.482	4.884	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)c(SC)cc1OC	776258939	BDPRSZJWBFAYEX-ZSOIEALJSA-N	405.422	4.817	50	20	HJGD	
O=S(=O)(Nc1cccc2c1OCO2)c1cccc(S(F)(F)(F)(F)F)c1	777648887	GGJDPKLRFZVLFP-UHFFFAOYSA-N	403.350	4.874	50	20	HJGD	
CCCc1nnc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)s1	782933971	PABHCAAWEMCBIQ-UHFFFAOYSA-N	409.427	4.949	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1cccnc1C1CC1	784049779	PBYXYWPOIHMWRJ-UHFFFAOYSA-N	401.091	4.785	50	20	HJGD	
C[C@@H]1C[C@H](CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO1	784419616	ZYHAWBPBOSLHBO-VXGBXAGGSA-N	409.442	4.828	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2nc3ccccc3cc2C)ccc1-c1ccccc1	785165087	OWFMOQDYWTYTPT-UHFFFAOYSA-N	410.477	4.600	50	20	HJGD	
COc1cc(NNC(=O)Nc2c(F)cc(Br)cc2F)ccc1Cl	788623051	IYZAFIDWAPBLCU-UHFFFAOYSA-N	406.614	4.538	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	797398773	QPYMIBXLJKLROF-UVTDQMKNSA-N	402.841	4.805	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)nn1C1CCCCC1	802035291	UHVQNJMLKHFMFI-UHFFFAOYSA-N	417.513	4.830	50	20	HJGD	
CCN(Cc1ccccc1)c1ccc(C(=O)NNc2nccnc2C2CCC2)cc1	805465471	LUVCUORAGXMCMI-UHFFFAOYSA-N	401.514	4.528	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(Oc2ccccc2)cc1	806669398	DVYJYAGFBFWBRI-MRXNPFEDSA-N	414.465	4.708	50	20	HJGD	
CC(C)[C@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1cccc(C(F)(F)F)c1	806684583	WUSAAAKZXDJHBE-SFHVURJKSA-N	418.419	4.570	50	20	HJGD	
CC[C@@H]1c2ccsc2CCN1C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	810146932	AASDLNYIZZKWIH-IMDKNKCXSA-N	423.582	4.788	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812245390	RICOUJMMZLWGTA-RIYZIHGNSA-N	414.252	4.914	50	20	HJGD	
CCOC(=O)c1ccc(NNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1C	812717122	WVPFHFBZAMQSIU-UHFFFAOYSA-N	403.891	4.639	50	20	HJGD	
O=C(NN=Cc1ncc(Br)s1)c1ccc(-c2ccc(F)cc2)s1	814769835	JRCPOOXVICCVQG-UHFFFAOYSA-N	410.293	4.537	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)c2sc(Cc3ccccc3)nc2C)o1	814822481	OXRHTGZNAMQGHG-UHFFFAOYSA-N	424.570	4.631	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C	843130990	WBSCXMQBIFCSCI-FCGPPKDQSA-N	421.328	4.747	50	20	HJGD	
CC(C)C(=O)Nc1ccc(CNC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	915256439	WGIFYPIEGFRHLQ-UHFFFAOYSA-N	416.525	4.702	50	20	HJGD	
CC(CCc1ccc(O)cc1)=NNC(=O)c1ccccc1OCc1ccc(F)cc1	916295285	PWKOMEJLGADMSW-UHFFFAOYSA-N	406.457	4.849	50	20	HJGD	
O=C(NN=Cc1csc([N+](=O)[O-])c1)c1ccc(COc2ccc(Cl)cc2)cc1	917535770	MFKOTSWOQIKFDK-UHFFFAOYSA-N	415.858	4.653	50	20	HJGD	
CCN1CCC[C@@H]1Cn1c(C)cc(C=NNC(=O)c2ccc3ccccc3c2)c1C	917545298	RIBDRXMXSKXKBO-XMMPIXPASA-N	402.542	4.506	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](N3CCCC3)C2)c(C)n1C1CCCCC1	918695940	HRGWASHVSZRXAB-FVIVVMBBSA-N	408.590	4.604	50	20	HJGD	
COc1cc(C=NN(C)C(=O)OC(C)(C)C)ccc1OC(=O)c1ccccc1Cl	920380999	IHTOKIVWZVSWGU-UHFFFAOYSA-N	418.877	4.769	50	20	HJGD	
O=C(CC(C1CC1)C1CC1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	1254492138	IEZMPIPIFUOUGS-UHFFFAOYSA-N	419.437	4.975	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-n3cccc3)ccc2F)c1C	1318210229	OOFDEAHUMXUBLB-SYERDGIWSA-N	420.488	4.788	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1	1324065224	YINDOQYYJDLTJH-UHFFFAOYSA-N	421.863	4.847	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1	1824616346	KBWRRPDUASLYMO-FGZHOGPDSA-N	419.009	4.944	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2C)CC1	1830640627	YWUQQHDTQCFRST-RTWAWAEBSA-N	419.009	4.944	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)c1cccc3c1oc1ccccc13)C2	1841227174	QDJRPBTYEHCNNZ-UHFFFAOYSA-N	424.928	4.668	50	20	HJGD	
Cc1ccc(NC(=O)[C@H](NNC(=O)c2ccccc2C)c2ccccc2)cc1Cl	15498593	HWXZWYAKCBNNOA-OAQYLSRUSA-N	407.901	4.571	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNC(=O)c1ccccc1Cl	109205561	AEYSZBISMXYSBE-UHFFFAOYSA-N	412.323	4.562	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc(C)c1OCc1ccccn1	207243887	LMSXJOUXLCLGOT-KQWNVCNZSA-N	411.505	4.543	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1cccs1	213145205	PFDHFCWEMOTGBH-VBKFSLOCSA-N	404.447	4.522	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](O)c2cccc(F)c2)c(C)n1C1CCCCC1	725892451	SNFZFFGGUGFTRI-GAISBVLPSA-N	409.505	4.506	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	726865295	XDCVOLBZKKNAEQ-CHWSQXEVSA-N	418.752	4.519	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2c(c1)C[C@@H](C)O2	727744424	HEENUPRZWXCWLJ-FKZYXTMDSA-N	402.372	4.583	50	20	HJGD	
O=C(O)C/C(=C/c1cnn(CCCl)c1)c1nc2cc(C(F)(F)F)ccc2s1	730436153	GKFMTPPGSSGVSZ-WZUFQYTHSA-N	415.824	4.766	50	20	HJGD	
Cc1cccc(-n2ncc(C(=O)NNc3nccc4sccc34)c2C(F)(F)F)c1	734247934	AVPDLSGVZJEHRS-UHFFFAOYSA-N	417.416	4.566	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc3ccsc3s2)c(C)n1C[C@H]1CCCO1	735460869	GATUXAJKIXGAQI-HTRKUNOGSA-N	412.540	4.501	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccc3OC)C2)c1C	737746898	OAVRGAXEENFXMG-AHFVYKFHSA-N	405.542	4.837	50	20	HJGD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	737801248	AJLYXMZGPNMTNU-JTQLQIEISA-N	401.772	4.589	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)o1	746520674	XIAXZOSNMQMABT-UHFFFAOYSA-N	422.297	4.857	50	20	HJGD	
CC(=O)Nc1cc(C(=O)NNc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1	748012688	PKBICYAGACHTIY-UHFFFAOYSA-N	406.191	4.728	50	20	HJGD	
C=CCOc1cn(-c2ccccc2)nc1C(=O)NNc1cc(Cl)ccc1Cl	748506925	HEIRRLWJWDQXPL-UHFFFAOYSA-N	403.269	4.501	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1	748561271	FZXYAHFQFIXZGK-UHFFFAOYSA-N	406.486	4.831	50	20	HJGD	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)NNc1cccc2c1CCCC2	748589172	UPUSGTZOOSYYLV-UHFFFAOYSA-N	411.502	4.805	50	20	HJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3ccc(OC(F)F)cc3)c12	748649267	QOPYXAUETWHCNJ-UHFFFAOYSA-N	402.401	4.582	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(-c3nc(CC)no3)ccc2C)cc1	751052216	UWQDLQKKQPEYSY-LDADJPATSA-N	402.454	4.552	50	20	HJGD	
N#C/C(=C\c1cn(-c2cccc(Cl)c2Cl)nn1)c1nc(-c2ccccc2)no1	754685279	MTCKCMRWEMYRQP-UKTHLTGXSA-N	409.236	4.688	50	20	HJGD	
C=CC(=O)Nc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(CCCC)c2C)ccc1F	758281773	KTMFRSVKIJEZJU-LDADJPATSA-N	408.477	4.714	50	20	HJGD	
O=C(NCCCN1CCCCC1=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762979880	MHUSVAWWFFXLKK-UHFFFAOYSA-N	401.401	4.868	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@H]1CCCCC12OCCO2	766325105	AXSCFRWCCXCJPF-UONOGXRCSA-N	424.872	4.713	50	20	HJGD	
COc1cccc(NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)n1	780772266	IJIOGQRVOLNOMA-UHFFFAOYSA-N	422.535	4.749	50	20	HJGD	
CSCc1cccc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1	782638710	GZFWBZXLFBJCOM-UHFFFAOYSA-N	420.538	4.753	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1	783444812	OCWCVUUGKSELTJ-UHFFFAOYSA-N	413.836	4.662	50	20	HJGD	
CC(C)(C)c1ccc(-c2ccc(NC(=O)C(=O)NNc3ccccn3)c(Cl)c2)cc1	784796550	OLWRWBGHMGYHPH-UHFFFAOYSA-N	422.916	4.781	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc(Cl)cc(F)c1Br	786425829	ATBJORWQZAJLPZ-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)cc1	787682046	UENRTLAEJIMULQ-HKWRFOASSA-N	417.509	4.566	50	20	HJGD	
O=C(NNc1ccccc1Br)c1ccnc(Oc2ccc(F)cc2F)c1	789994261	QHAZZSZGBJCKEX-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
Cc1sc(Br)c(C(=O)NNc2ccc(Br)cc2F)c1C	799705847	QAXLYHOZINBNQV-UHFFFAOYSA-N	422.117	4.786	50	20	HJGD	
Cc1noc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n1	806185222	UIOANWNONRCMAS-BXUZGUMPSA-N	420.844	4.966	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)cc2)n1	810466155	DGNOGDMXNWWJJV-UHFFFAOYSA-N	417.416	4.843	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1	813048849	MIDBYWWPKBFDHI-UHFFFAOYSA-N	410.543	4.933	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1ccc(COC2CCOCC2)cc1	813115523	UMLJUQWVAHLHHL-UHFFFAOYSA-N	411.546	4.640	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC(C)C)c(C)n1C[C@H]1CCCO1	915283852	HIXCHQXUXFRAJI-DMMSUNFISA-N	407.514	4.617	50	20	HJGD	
COc1cccc(COc2cccc(Cl)c2C=NNC(=O)c2ccccc2F)c1	917534967	TTYRHIRFMGKOKV-UHFFFAOYSA-N	412.848	4.831	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCCOc1cccc(Br)c1	918382554	IPQCLICGXPDOML-HNNXBMFYSA-N	404.395	4.658	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OC[C@H]2CCOC2)c(C)n1-c1cccc2ccccc12	918809324	IIPNZOUHJHAXAM-CVHFWEDTSA-N	400.478	4.734	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cc4c(cc3Br)OCO4)c[nH]c2c1	920068224	LXPCIDAUDYDVON-WLRTZDKTSA-N	409.239	4.757	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(COCC3CC3)c2)c1C	920844352	BAUZGQHQNRMMAA-BYWZACNXSA-N	421.541	4.785	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(Br)nc1)c1ccc(Cl)c(Cl)c1	1116307408	LBCXNPPDUBKZMQ-UHFFFAOYSA-N	403.107	4.572	50	20	HJGD	
CSc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)cc1	1788588003	UQHDINNRQYPYNX-IBGZPJMESA-N	420.937	4.620	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2C)n[nH]1	1814593552	RUHSHAGJCLPTBI-NVXWUHKLSA-N	423.344	4.695	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)CC1	1832401615	HRPULDCKBUAYLV-SXWKCWPCSA-N	409.014	4.760	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2SC(=O)N(C)C)c1C	207988517	HIZWCLPQNVMYQX-QGOAFFKASA-N	410.543	4.834	50	20	HJGD	
O=C(NNc1ccccc1)c1cc2cc(Br)cc(Br)c2o1	303495369	TWOJYUIJKGFRPT-UHFFFAOYSA-N	410.065	4.715	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(OCc3cscn3)c2)cc1	725733064	SUVSTZZQEXUTCM-LICLKQGHSA-N	405.479	4.666	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=C(C)C23CC4CC(CC(C4)C2)C3)c1	728431878	CDPKNSKXNOCBKB-UHFFFAOYSA-N	405.336	4.780	50	20	HJGD	
C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	728891209	MUIBNJBJHXQSHM-RDJZCZTQSA-N	414.587	4.884	50	20	HJGD	
O=C(CCCSc1ccc(Br)cc1)NNc1ccc(F)c(F)c1F	731051808	QFMWFHRHSBHSQV-UHFFFAOYSA-N	419.266	4.882	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1	731174930	JIMHNNWXAYSPLA-UHFFFAOYSA-N	404.535	4.718	50	20	HJGD	
CSCCCCC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	739470797	LKAVDORZEFJPLK-UHFFFAOYSA-N	423.003	4.927	50	20	HJGD	
CC(C)Oc1ccc(-c2nc(C(=O)NNc3cccc(C(F)(F)F)n3)cs2)cc1	740138042	YNRSJVWCSDPVIW-UHFFFAOYSA-N	422.432	4.768	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1Cl	741472677	WFVCKNIDZQREFP-GZTJUZNOSA-N	406.873	4.697	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(Cl)c(Cl)c1O	741771034	KFSYQKVMJBNYPE-UHFFFAOYSA-N	404.200	4.846	50	20	HJGD	
O=C(NN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cccc2ccccc12	743477271	HXFPMZSREUOMJP-HSZRJFAPSA-N	413.452	4.593	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1cc2ccccc2s1	745810545	OJHFKVVPBBBSAH-NSHDSACASA-N	420.441	4.600	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1ccc(-c2ccncc2)cc1	746427638	SILSHVJTJZEXGM-QGZVFWFLSA-N	410.477	4.607	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c(C)n1C1CCCCC1	754406579	PHHWVUWGPKRSBU-QSSXUJFUSA-N	410.606	4.706	50	20	HJGD	
C[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1nc2ccccc2s1	754702747	PMYLPDHFEVPTMU-GOSISDBHSA-N	406.491	4.961	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(Oc2ccccc2Cl)nc1	755855353	WOQMQMXASQCVOG-UHFFFAOYSA-N	414.796	4.760	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1	761376305	MOVBTVLORVLJAW-TYSUYXETSA-N	414.440	4.814	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)C2CCCCC2)ccc1OCC(=O)N1CCCCC1	767713739	MGIRBPUNOJGULR-QNGOZBTKSA-N	424.541	4.533	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1cnc(Cl)c(Br)c1	767914417	SZFRTUUQJPRFSZ-UHFFFAOYSA-N	409.593	4.665	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1C	768174159	HWBPWKOVMZPCQT-JYWRCUDFSA-N	414.431	4.822	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(N2CCOC2=O)cc1	769975656	IXVHZIJOSRUURR-UHFFFAOYSA-N	415.664	4.752	50	20	HJGD	
Cc1csc(Sc2ccc(NC(=O)NNc3ccc(Cl)nn3)c(C)c2)n1	769993951	OUEKQQVUZKKHRQ-UHFFFAOYSA-N	406.924	4.503	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1ccc(Oc2ccccn2)cc1	770030427	OTQBXXQHSAAGEE-UHFFFAOYSA-N	417.238	4.924	50	20	HJGD	
Cc1ccnc(Oc2ccc(NC(=O)NNc3ccc(C(F)(F)F)cc3)cc2)n1	775666885	SKALDUKHKNHZNN-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(N3CCC[C@H]3C(C)C)c(F)c2)cc(C#N)n1C	777836272	KIDCPKLUMBQMMF-PZCGXLTHSA-N	419.504	4.515	50	20	HJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccccc1Br	780656989	OHIZMQQALUUUER-UHFFFAOYSA-N	410.293	4.616	50	20	HJGD	
Cc1ccc(F)cc1COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	782234151	MXNBGDCXQRHFMQ-UNOMPAQXSA-N	414.440	4.562	50	20	HJGD	
O=S(=O)(NCCCOC1CCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	782978769	JNNBQBUNXRXLQR-UHFFFAOYSA-N	409.442	4.972	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	787481592	FADSPSYIZQLBBA-UHFFFAOYSA-N	419.529	4.716	50	20	HJGD	
CS[C@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccccc1	804206922	VJQKHSYZMCPEAV-SFHVURJKSA-N	418.444	4.710	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C	805382191	AIXAXRXDJKWWCU-UHFFFAOYSA-N	413.865	4.623	50	20	HJGD	
CC[C@H](c1ccccc1OC)N(C)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	809281459	YDZRABARQTYUOG-DLCKJZBASA-N	423.557	4.838	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cs1	917561790	OEIQLJZSTYUUDY-LFIBNONCSA-N	420.469	4.821	50	20	HJGD	
N#C/C(=C/c1ccc(F)c(-c2cccs2)c1)C(=O)N1CCn2c1nc1ccccc12	917622109	NJMDPGSMXFCUPE-VBKFSLOCSA-N	414.465	4.858	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(C(C)C)no2)c(C)n1-c1ccccc1F	920493073	MILGNNGHMCZJLZ-CJMVGXJBSA-N	422.460	4.951	50	20	HJGD	
CCOc1ccc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1OC	1324033549	DXICBMXEIMAMDQ-XKZIYDEJSA-N	423.557	4.734	50	20	HJGD	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Br)cc2)CCC1	1791431727	FAVUCJHQERSKFF-HNNXBMFYSA-N	419.363	4.672	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)CCC1)C(Cl)Cl	1791531589	HJSAJDFYTYSMAU-ZWKOTPCHSA-N	417.336	4.728	50	20	HJGD	
CC1(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)CCCCC1	1791534120	OPMSSIDQOJOAPF-UHFFFAOYSA-N	416.638	4.942	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)c(Cl)c1	1792112519	MAUZQVSWUMAUIY-QGZVFWFLSA-N	409.288	4.931	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)C2	1793679112	MTYGLYYNWIZNFR-DFGXFYAUSA-N	408.970	4.545	50	20	HJGD	
Cc1scc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)c1C	1816612077	JNBLALRWMHBGNX-MRXNPFEDSA-N	422.982	4.659	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1	1825298133	GUQJKDMRHCVPRT-WWTANLFGSA-N	423.022	4.789	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)s2)CC1	1825784889	BETQDSIPZPHBBR-ROUUACIJSA-N	411.011	4.697	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c2ccccc21	2670684	ZXQZSLNAXODMSD-NTCAYCPXSA-N	419.282	4.863	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2)cc1	212115742	BLLFBLKOVRIFEQ-QNGOZBTKSA-N	411.461	4.770	50	20	HJGD	
Cc1ccc(N2C(=O)CC[C@@H](C(=O)NNc3ccc(F)cc3)[C@@H]2c2cccs2)cc1	301239291	IUWGIWBOXCVQRG-DENIHFKCSA-N	423.513	4.823	50	20	HJGD	
CCCN(C(=O)NNC(=O)c1c(Cl)cccc1Cl)[C@H](C)c1ccccc1OC	727846371	CZYRKSZNXIFCTL-CYBMUJFWSA-N	424.328	4.830	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(\C#N)c3nc4ccccc4n3C)cc2)oc1C(=O)O	729937139	MDNWDCRGLRCXPL-SFQUDFHCSA-N	413.433	4.816	50	20	HJGD	
CCN(CC)c1nc2sc(C(=O)NNc3nccc4sccc34)cc2s1	734247116	VAMMGZGKKWYOJP-UHFFFAOYSA-N	403.558	4.571	50	20	HJGD	
CC(C)CC[C@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)C(C)(C)C	734518277	YLWZOVGNWRLLBE-FQEVSTJZSA-N	415.534	4.654	50	20	HJGD	
COc1cc([C@@H](C)NC(=O)NNc2cc(F)c(F)cc2F)ccc1OCC(C)C	734662169	WDUYUPRAXGXELN-GFCCVEGCSA-N	411.424	4.535	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](c2ccccc2Cl)C(C)C)c2ccccc2n1	734673884	OGJJAPBWCVPITE-HXUWFJFHSA-N	410.905	4.538	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNC(=O)c3cccc4ccccc34)c2C(C)C)cc1	741575115	HRJGGCJBGVAZRG-UHFFFAOYSA-N	412.493	4.532	50	20	HJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	741851684	DASVEOCKXYWVCS-VGOFMYFVSA-N	418.248	4.976	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1	743436967	GVDYRMBFMRUTGB-QFIPXVFZSA-N	422.912	4.744	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(Cc3ccccc3)no2)c1C	744560126	YCGIQJGTLGQXRY-SBGXLDQMSA-N	418.497	4.700	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(Cl)c(Cl)c1	747523158	DBZLGFRIYGTUFY-SECBINFHSA-N	418.227	4.551	50	20	HJGD	
Cc1ccccc1-n1nc(C(=O)NNc2ccc(Cl)cc2Cl)c2c1CCC2	748017686	LESCRYIEWCZOMR-UHFFFAOYSA-N	401.297	4.733	50	20	HJGD	
Cc1c(NNC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)cccc1[N+](=O)[O-]	748670104	CYECNWYQSFKHAL-UHFFFAOYSA-N	419.466	4.574	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cn(-c2ccccc2)nc1-c1cccnc1	752811342	LMUWARCJQSNLDI-UHFFFAOYSA-N	424.291	4.998	50	20	HJGD	
O=C(NNC(=O)c1ccccc1F)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	755612822	DOTOIKVEAVNGCT-CQSZACIVSA-N	421.803	4.512	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1cccc(CCC(F)(F)F)c1	757619331	OOTNTSGWHIPKIU-UHFFFAOYSA-N	417.387	4.507	50	20	HJGD	
Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762517806	NLEFQBWOVNEDOK-UHFFFAOYSA-N	421.395	4.970	50	20	HJGD	
CC(=O)CCCCCCC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	763542821	HPIRQAXFBFESRC-UHFFFAOYSA-N	423.888	4.606	50	20	HJGD	
Cc1nc(C(=O)NNc2ccc(Br)c(F)c2)c(-c2ccccc2)s1	771691876	UPJIQUCIVPJEFK-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNC(=S)Nc2cccc(C)c2)c1	772139027	FQARVNAPZRZTAA-UHFFFAOYSA-N	405.523	4.692	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1-n1cncn1	773158550	BZHJUUYDEWTHMD-VIZOYTHASA-N	400.335	4.524	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccc(Cl)c2S(=O)(=O)CC)cc1	774116756	SZSDSSFMVZFITC-QGOAFFKASA-N	401.915	4.876	50	20	HJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCCO2)C(=O)c1ccccc1OC(F)F	775639133	LLNJSDXWOPGKGM-JYRVWZFOSA-N	405.784	4.893	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)NC2CC2)cc1	790214208	IDJRDEVEADPCAL-NSHDSACASA-N	422.316	4.665	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(O[C@@H](C)C(=O)O)cc3)n2)cc1	794690217	HMELHTWVRKFMLN-MPMPPSQCSA-N	406.463	4.735	50	20	HJGD	
CC1(C)CN(CCP(=O)(c2ccccc2)c2ccccc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	799330264	GZSXXJCJBSZRRZ-UFPGJGBJSA-N	423.537	4.670	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)s2)cn1	800790192	FVBFOIXNAIUVHW-KPKJPENVSA-N	402.401	4.713	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1	804180459	LLPXKWIWLDFJSP-WQRHYEAKSA-N	400.400	4.757	50	20	HJGD	
CCC[C@@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccccn1	804210658	RDAFMZRJKACZIF-MRXNPFEDSA-N	415.419	4.584	50	20	HJGD	
CC[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H](C)S1(=O)=O	806422431	RSWDSFYYMBWMPP-ZYHUDNBSSA-N	422.441	4.773	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c(C)n1C[C@@H]1CCCO1	809290351	POFXJNYWYIRWQP-BCTWRDQXSA-N	423.582	4.862	50	20	HJGD	
N#C[C@H]1CCCC(=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1	814698104	QSUCEZAIGSVHBJ-INIZCTEOSA-N	403.511	4.655	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	815844136	ALLAFSQTKOBPAL-UOVKNHIHSA-N	410.408	4.787	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(C(C)C)cc2)c(C)n1C[C@H]1CCCO1	912673640	FBCJIKDUKFDVGL-RVEICJNFSA-N	419.569	4.973	50	20	HJGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	916334625	OAEHWEUYEWLMES-MRXNPFEDSA-N	401.441	4.892	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2OCC(F)(F)F)c1C	917860875	DXWOWGOSEBJHRZ-YBFXNURJSA-N	419.447	4.679	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2noc(C(C)(C)C)n2)c(C)n1C1CCCCC1	918955925	VFDSFJSPRWXWLV-LDADJPATSA-N	410.518	4.941	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(N3CCCC3)cc2)c(C)n1CC(C)C	919712422	JSXXFOQBPDDSJQ-OEAKJJBVSA-N	404.558	4.585	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3cn(C)nc3-c3cc4ccccc4o3)cc2C1	920368361	VPRGSRUZXYGOOG-AWEZNQCLSA-N	418.522	4.784	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)cc1	1317945013	YQGGLVPDBBSPEC-PGMHBOJBSA-N	411.509	4.635	50	20	HJGD	
CCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)CBr)cc2)CCC1	1786070000	HURAMCZWYDCGTF-AWEZNQCLSA-N	409.368	4.588	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@](C)(Cl)CCl	1800083124	OJOBAKOAQJPESV-DLRJPAPCSA-N	419.437	4.858	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2C)CC1	1824614429	BVEKDVUQNULFGD-NHCUHLMSSA-N	419.009	4.944	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C	17473833	BDSYMZAVEPYZGO-XYOKQWHBSA-N	406.269	4.661	50	20	HJGD	
CC(C)[C@@H]1COC(c2ccc3cccc(P(c4ccccc4)c4ccccc4)c3n2)=N1	139429026	ANBQSCSUMUMSNZ-DEOSSOPVSA-N	424.484	4.794	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C	302893122	WSIWPQUFDQBRBP-KDVQLTRESA-N	416.319	4.621	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3oc(=O)n(C)c3c2)c(C)n1C1CCCCC1	726512620	TZNROXLCZAPEHI-LDADJPATSA-N	418.497	4.601	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)Nc1ccc(Cl)cc1	728438541	ZWRYYMWFAGARBX-NTUHNPAUSA-N	409.854	4.738	50	20	HJGD	
CCSc1ccc([C@H](C)NC(=O)NNC(=O)Cc2cccc3ccccc23)cc1	729054238	NQDPHPQEMYNFCP-INIZCTEOSA-N	407.539	4.586	50	20	HJGD	
CCN(Cc1ccccc1C)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	729834935	VMEPUBLUAVDYOK-KQWNVCNZSA-N	423.520	4.728	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N[C@H](C)c3csc4ccccc34)cc2C1	730021225	BPHQAFHPFWHNQO-CHWSQXEVSA-N	413.568	4.793	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N[C@@H](C)c3csc4ccccc34)cc2C1	730021228	BPHQAFHPFWHNQO-STQMWFEESA-N	413.568	4.793	50	20	HJGD	
CC(C)(C)C[C@H](NC(=O)NNC(=O)NCc1ccc(Cl)cc1)c1ccc(F)cc1	733037418	XTKYVSALACLYKS-SFHVURJKSA-N	420.916	4.670	50	20	HJGD	
O=C(NNc1cnccn1)c1sc(-c2ccccc2)cc1OCc1ccccc1	734242703	WBUPHDVQRRBRID-UHFFFAOYSA-N	402.479	4.541	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccccc1OCCOc1ccccc1	734249002	FXFLMZQZUFQLKR-UHFFFAOYSA-N	405.479	4.511	50	20	HJGD	
Cc1cc2nc(-c3ccccc3)cc(C(=O)NNc3nccnc3Cl)c2cc1C	734260752	LFSSQXICPSBXGO-UHFFFAOYSA-N	403.873	4.719	50	20	HJGD	
COc1cc(C(=O)NNc2cc(F)c(F)cc2F)cc(Cl)c1OCCC(C)C	734553783	ZRAHKKGWLHZSEH-UHFFFAOYSA-N	416.827	4.948	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3c(F)cccc3F)c2C2CC2)cc1Cl	735698854	YEVIJSCDCMWSBA-UHFFFAOYSA-N	402.832	4.747	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2nc3ccccc3n2C(C)C)c(C)n1CC(C)C	736218885	SLPDCECXPIXWNK-MTJSOVHGSA-N	417.557	4.915	50	20	HJGD	
Cc1c(NNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cccc1[N+](=O)[O-]	748673371	IVZZQYGOMUGEAD-UHFFFAOYSA-N	412.471	4.571	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12	751169496	GOKHYCLVCYMBJY-UHFFFAOYSA-N	423.381	4.544	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c1C	751188814	DFJPYNBNXVAHAY-NVNXTCNLSA-N	422.312	4.612	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1ccc(-c2csnn2)cc1	752538394	KFKCUBMVRHZOMO-UHFFFAOYSA-N	418.320	4.679	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](CCCO)c2ccccc2)c(C)n1CCC(C)C	761913508	JJGSIDDPBQAAFL-ZBDCHNAPSA-N	407.558	4.688	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1	762519202	XYTRJOQYDMDZEI-MRVPVSSYSA-N	412.302	4.693	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCCCC3)s2)cc1	764759442	ANZOSKBULAEHPH-UHFFFAOYSA-N	406.602	4.667	50	20	HJGD	
Cc1cc(Br)cc2cc(C(=O)NNc3ccc(OC(F)F)cc3)oc12	768478595	KLPGMVBPZOZOIP-UHFFFAOYSA-N	411.202	4.862	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)Nc1ccc(Cl)c(C(F)(F)F)c1	771095212	PWXLQYNMVNCJIJ-UHFFFAOYSA-N	409.593	4.665	50	20	HJGD	
COc1sc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)cc1Br	775639901	ZTZDSZMPTINRLZ-TWGQIWQCSA-N	414.227	4.910	50	20	HJGD	
O=C(NNC(=O)c1sc2ccccc2c1Cl)N[C@@H](C1CCCC1)C(F)(F)F	775771024	DBQDVVNQFWTZLL-AWEZNQCLSA-N	419.856	4.620	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cncc(Cl)c2Cl)c(C)n1C[C@H]1CCCO1	778076923	IUWOXODCOWNUBD-NXADEVLQSA-N	419.312	4.531	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2c(Cl)cnn2C)c(C)n1Cc1ccccc1Cl	780146019	BZBIEPJIVFYRGE-SXGWCWSVSA-N	413.308	4.983	50	20	HJGD	
CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n[nH]1	782987931	POANRHCXAWRVMK-SECBINFHSA-N	420.429	4.625	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1	787141758	POUBROXFTNMBRM-XBNGYDHASA-N	414.259	4.532	50	20	HJGD	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	787320396	XAJZIIUTJPFDPH-FOWTUZBSSA-N	404.447	4.527	50	20	HJGD	
N#C/C(=C/c1cnc(-c2ccc(Cl)cc2)s1)C(=O)N(CC(F)(F)F)C1CC1	789143723	QTPIPIYQXPBLOI-GHXNOFRVSA-N	411.836	4.924	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCCC3)cc2)c1C	789950485	JPSOZGQTLFXTHX-MLPWYGTASA-N	420.557	4.848	50	20	HJGD	
COc1cc(NNC(=O)C2(c3ccc(Br)cc3)CCC2)ccc1Cl	790176165	VDDZVVRPBXNZJR-UHFFFAOYSA-N	409.711	4.676	50	20	HJGD	
O=C(NCc1ccc(COC2CCOCC2)cc1)NNc1cc(Cl)cc(Cl)c1	790434644	SVEHHFIFBFBKPG-UHFFFAOYSA-N	424.328	4.515	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1nn(-c2ccc(F)cc2)c2c1CCC2	791733514	MXGOQRKTKGGSCT-UHFFFAOYSA-N	405.260	4.564	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccn(-c2cccc(C#N)c2)n1	798368081	PGDMCQODNGTTAM-UHFFFAOYSA-N	401.495	4.694	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804209228	RBLJXPZXPCUFRE-UHFFFAOYSA-N	422.794	4.581	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1nc(Br)sc1C1CC1	806357725	LUKKUAHDYCTWBT-UHFFFAOYSA-N	423.723	4.742	50	20	HJGD	
CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NNc1cccc(F)c1	807118468	JWGZYXZACRYYFO-GOSISDBHSA-N	401.482	4.561	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	807121926	OXJIFGBKGSWFNK-UHFFFAOYSA-N	417.694	4.625	50	20	HJGD	
COc1ccc(NC(C)=O)c(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	813419557	PAZJKAIBDMFJEL-NDENLUEZSA-N	422.529	4.664	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/C(C)=C/c1ccccc1COC	814187627	ORWFFBAKDCHRGP-KFURHSOJSA-N	406.482	4.691	50	20	HJGD	
N#Cc1ccccc1COc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	915289551	IEYMVUQSPARMKR-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
N#C/C(=C/c1ccc(CSC(F)F)o1)C(=O)Nc1nc2ccccc2nc1Cl	915851871	DUQAXSVPPFICQL-YFHOEESVSA-N	420.828	4.878	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC1CCCCCC1	915885442	FTBIXMNVGBJTRI-UHFFFAOYSA-N	402.498	4.569	50	20	HJGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1c(-c2ccccc2)n(C)c2ccccc12	916333807	AVASGAYZHVIBNA-KRWDZBQOSA-N	415.468	4.902	50	20	HJGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	916334624	OAEHWEUYEWLMES-INIZCTEOSA-N	401.441	4.892	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccc2c(c1)OCCO2	918560180	XRQKZLPMZQFKOM-INIZCTEOSA-N	403.809	4.929	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(Br)o2)c(C)n1CC(C)C	919712438	KQTLVVSNGFSDMZ-MFOYZWKCSA-N	418.335	4.682	50	20	HJGD	
CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)c1cncn1-c1ccccc1	1317859203	FYEUQWMHAYVTQK-UHFFFAOYSA-N	421.570	4.751	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2n1Cc1ccccc1F)c1ccccc1Cl	1317886755	PWRPMBLXWMDNFV-UHFFFAOYSA-N	421.859	4.557	50	20	HJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)cc1	1319143417	UHYTURGARJGQFM-UHFFFAOYSA-N	401.470	4.503	50	20	HJGD	
C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)c1	1788588410	PCHWWQBSHZNPHQ-LIRRHRJNSA-N	413.880	4.596	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CCC1	1788906584	ZBDRQWLMBFGQLS-FQEVSTJZSA-N	421.928	5.000	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1	1818801539	NCKJVOIIJANAQP-SOLBZPMBSA-N	406.958	4.556	50	20	HJGD	
CC1=CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)CC1	1828344541	RUJFVESJYBSAOI-UXHICEINSA-N	409.014	4.618	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1829068158	IMOXVEPXDUJFCI-IBGZPJMESA-N	411.030	4.864	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)c2ccc[nH]2)C1	1844407896	IIWIRMYQRAJVCR-UHFFFAOYSA-N	407.986	4.581	50	20	HJGD	
Cc1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	23974044	YQPZYYSEBDQVGX-ISXGRJCASA-N	421.541	4.937	50	20	HJGD	
Cc1ccc(-n2nnc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)c2C)cc1	54852011	NYWAPJBPQCQNRO-UHFFFAOYSA-N	410.692	4.601	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)cc(C#N)n1C	725732490	IXEURKSSCPOSGW-VYVDHXHBSA-N	410.477	4.782	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c1C	727395762	NOJRDHPELNGVPZ-VZIOXZNFSA-N	409.505	4.551	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)c1C	729539524	KTSLDILBHNTNOT-ALFKQNEGSA-N	421.541	4.999	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3ccccc3C(F)(F)F)c3c2CCC3)c(F)c1	730446248	NNLRJYJWGRMSRY-UHFFFAOYSA-N	418.394	4.584	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1nc(-c2ccccc2)oc1-c1ccccc1	731366221	JZLJBXZUTUHYKS-UHFFFAOYSA-N	406.445	4.736	50	20	HJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(Cl)nc3)sc2c1	732655751	ZCWRTHMOCJJNCX-UHFFFAOYSA-N	408.310	4.801	50	20	HJGD	
O=C(CCCCOc1ccc(Br)cc1)NNc1nccc2sccc12	734248258	NPYHZSDAIPCFHG-UHFFFAOYSA-N	420.332	4.751	50	20	HJGD	
O=C(CCc1nc2ccccc2n1-c1ccccc1)NNc1nccc2sccc12	734248814	XHRCWLRCCDCQJS-UHFFFAOYSA-N	413.506	4.711	50	20	HJGD	
COC(=O)N(C)Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	735254345	MAGQDYXACQUZBU-CIAFOILYSA-N	422.529	4.505	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCS[C@H](c3ccccc3)C2)c1C	735455003	ZYDHAPYWNBAHRR-XJCUSZMCSA-N	423.582	4.536	50	20	HJGD	
O=C(NNc1ncccn1)c1cccc(CSc2c(Cl)cccc2Cl)c1	741669154	LSTOVNDYEQZVMK-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
COc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c(C)c1	742005949	BLHIMUWMWIMKFN-UHFFFAOYSA-N	404.091	4.830	50	20	HJGD	
O=C(Cc1cccc(OCc2ccccc2Cl)c1)NNc1ccc(Cl)nc1	743819111	AUWGSFVXDFWWLK-UHFFFAOYSA-N	402.281	4.653	50	20	HJGD	
O=C(NCc1ccc(COCc2ccccc2)cc1)NNc1cc(F)c(F)c(F)c1	746750104	LCGSULQKDWGWOP-UHFFFAOYSA-N	415.415	4.647	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)c1C	747589599	YPZBPMVNNGXEPH-CBIIRDDDSA-N	421.541	4.803	50	20	HJGD	
CCCOc1ccc(C(=O)NNc2ccc(F)cc2Br)cc1OCC	748075247	MHFMBDOFBPMUKG-UHFFFAOYSA-N	411.271	4.533	50	20	HJGD	
C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc(C#N)cc1	749063704	PGGRWKMCAUVDBB-OVBDPADQSA-N	421.460	4.547	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(OC)ccc2Br)c1C	749549881	OYXPRRXVJSKKST-MHWRWJLKSA-N	416.319	4.832	50	20	HJGD	
CC[C@@H](C)c1ccc([C@H](NC(=O)NNC(=O)c2ccc(C)o2)c2cccs2)cc1	752841090	SBMGMCXACVDBIM-VLIAUNLRSA-N	411.527	4.897	50	20	HJGD	
CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752975561	VABTXTLRLNREJJ-AWEZNQCLSA-N	417.444	4.919	50	20	HJGD	
COc1cc(Cl)c(C=NNC(=O)c2ccc(F)cc2Br)cc1Cl	753924317	PCZUTQRAAWWLOU-UHFFFAOYSA-N	420.065	4.668	50	20	HJGD	
CCC(=O)N[C@H](CCSC)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762724341	PWQTWZNMZFGGSY-GFCCVEGCSA-N	406.442	4.930	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)nc2C)c1C	773718946	CTEOMVHPBQTSLW-YBEGLDIGSA-N	401.308	4.527	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2ncc(Cl)cc2Cl)c(C)n1CC(C)C	775263367	BTAQJOSADCRZHH-GIDUJCDVSA-N	406.317	4.513	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](CO)c2cccc(F)c2)c(C)n1C1CCCCC1	778512415	UNGOGBLFNZSIJD-SNXNUMJZSA-N	409.505	4.506	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)n2)c1C	782847858	SXOARNXPGAJCAF-AZZDOICSSA-N	407.301	4.560	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC([C@@H]2CCCO2)CC1	784041817	ZPGISYXJPKTNCC-HNNXBMFYSA-N	421.453	4.924	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cl)s2)cc1	790100311	OHWCMQOUTUOCKB-UXBLZVDNSA-N	424.707	4.668	50	20	HJGD	
C=C(CBr)CN1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl	791476811	ZZVDZZPOIVUYQP-HNNXBMFYSA-N	406.151	4.738	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	795152168	XJERNMHLONFGFC-UHFFFAOYSA-N	420.778	4.951	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cnn(CC)c2C(F)(F)F)c1C	798545124	XYNGLHSDWYBOHJ-YBEGLDIGSA-N	407.440	4.686	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	801647040	AHEVXJVXJFAKCQ-GXDHUFHOSA-N	412.280	4.737	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)c1C	819100168	XTBKLFUJMYVVAG-ZSVFNNEGSA-N	418.541	4.822	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)N1CCn2c1nc1ccccc12	834717858	NPGSEDJPIZYNQX-SSZFMOIBSA-N	414.465	4.858	50	20	HJGD	
CC[C@@H](C)C(=O)NN=Cc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl	915974773	OYFBAAVDLCXAIU-SNVBAGLBSA-N	401.725	4.696	50	20	HJGD	
Cc1csc([C@@H](C#N)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)n1	916844235	YSOGWBHTUWYYFK-SOFZFKJRSA-N	400.507	4.951	50	20	HJGD	
O=C(NCC(c1ccccc1)c1ccccc1)NNC(=O)c1ccc2ccccc2c1	918013760	TUNCFURRSXDVJF-UHFFFAOYSA-N	409.489	4.616	50	20	HJGD	
O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NNc1ccc(F)cc1	918201593	AQRGDRSPCGYYFW-UHFFFAOYSA-N	419.435	4.644	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(CCc3ccccc3)o2)c(C)n1C[C@H]1CCCO1	1345937228	LWSQJIJPQIMLTR-QJUACMODSA-N	402.498	4.516	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3ccccn3)cc2)CCC1	1786959391	LEMUHZRLRAJKJD-FQEVSTJZSA-N	413.949	4.556	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1	1790255699	HWRWCGRHEHJTRQ-HXUWFJFHSA-N	409.917	4.713	50	20	HJGD	
CC(C)C1(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)CCC1	1792047372	JQEZPUJFITVHIV-UHFFFAOYSA-N	416.638	4.798	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)sc1Cl	1798981511	LCWQRABPNCRXAR-LSCVPOLPSA-N	423.793	4.714	50	20	HJGD	
O=C(C(Cl)Cl)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1	1830355621	JNOHCTYRDHYKTB-BBVFFXRHSA-N	415.405	4.546	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)CC1	1830564439	JFBPELNTSOIOBV-TZIWHRDSSA-N	422.972	4.775	50	20	HJGD	
CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CO[Si](C)(C)C)CC1	1831465374	MEFDZUFZTLEXQL-CTNGQTDRSA-N	424.702	4.674	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3cc(C(=O)OC)c(C)o3)n2)cc1	209223996	VVIHQTKIFGBKCE-SXGWCWSVSA-N	421.478	4.606	50	20	HJGD	
CCOc1ccc(-c2nc(C(=O)NNc3cccc(C(F)(F)F)c3)cs2)cc1	303231775	YAFPNUHDKAMDDF-UHFFFAOYSA-N	407.417	4.985	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CC2CC2)C2CCCCC2)c(C)n1C[C@@H]1CCCO1	727715090	JGCCURHEDIHUJW-XPCGLTFESA-N	409.574	4.762	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1	727845797	YYIZGNITPRWXAL-HSZRJFAPSA-N	421.928	4.783	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccnc3cc(Cl)ccc23)cnn1-c1ccccc1	729515211	FLHAKZYOJWPWHF-UHFFFAOYSA-N	405.889	4.954	50	20	HJGD	
CN(C(=O)CCCC[C@H]1CCSS1)[C@H]1CCN(c2ccccc2Cl)C1=O	732120172	ODNGZOYSHRUXDR-YOEHRIQHSA-N	413.008	4.618	50	20	HJGD	
CC(C)(CCCc1ccccc1)C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1	732959206	SNRWKQIQSOCRFG-UHFFFAOYSA-N	421.463	4.585	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccsc3s2)c1C	735460661	DGAUDLHMNAWJBS-AZZDOICSSA-N	400.529	4.529	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc2ccccc2c1	741923178	RQWSURFCWYAUCD-UHFFFAOYSA-N	401.293	4.885	50	20	HJGD	
C[C@H](CCc1ccccc1)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743503092	OJHDECMGHYUWSJ-GOSISDBHSA-N	402.498	4.711	50	20	HJGD	
CCC[C@@H](CC)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	743837737	MSKPCLNWCHEEQJ-XMJIKXADSA-N	409.921	4.719	50	20	HJGD	
Cc1noc(C)c1CSc1ncccc1C(=O)NNc1ccc(Cl)c(F)c1	746695254	GZQVGNCXHCVLJU-UHFFFAOYSA-N	406.870	4.528	50	20	HJGD	
CC(C)(C)Cc1nc(-c2ccc(C(=O)NNc3ccc(Cl)c(F)c3)cc2)no1	746699454	AJPFBGBPHMLQJS-UHFFFAOYSA-N	402.857	4.875	50	20	HJGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNc1ccc(Br)cc1F	748174577	ZUSYBMZYAHOVRL-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(OC(F)F)cc2)oc2ccc(Br)cc12	748655735	ABKROTRFJZRWOX-UHFFFAOYSA-N	411.202	4.862	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3cc(C(F)(F)F)ccc3F)cc(C3CC3)nc21	754152247	CPFPNBLCTBTFGH-UHFFFAOYSA-N	421.398	4.804	50	20	HJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc1	757391110	HJLSLMUCGGKLGW-UHFFFAOYSA-N	421.460	4.873	50	20	HJGD	
COc1ccc(C(=O)CCCCC(=O)NNc2cc(C(F)(F)F)ccc2F)cc1	759995642	REWCGQWDGMNBRA-UHFFFAOYSA-N	412.383	4.740	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(COc2ccc(F)cc2)o1	761585040	PGYQXVDKIHGISN-UHFFFAOYSA-N	410.323	4.653	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(F)cc1Br)c1ccc(Br)cc1	767084081	KGNZDPRJBZFVJL-SECBINFHSA-N	416.088	4.598	50	20	HJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc(F)cc3Br)nc(O)c2c1C	767717600	CKWOFLVXBYQKMD-VZUCSPMQSA-N	404.264	4.980	50	20	HJGD	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NNc1cccc(C#N)c1	769966347	NDOVKIXZIDMHNU-UHFFFAOYSA-N	400.442	4.659	50	20	HJGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1c(-c2ccccc2)nc2sccn12	773095065	VBYJASCTOTZREF-CQSZACIVSA-N	424.913	4.634	50	20	HJGD	
COc1ccc(-c2ccncc2)cc1C=NNC(=O)COc1cc(C)ccc1C(C)C	774317441	PHTSJCVHZRHSSH-UHFFFAOYSA-N	417.509	4.718	50	20	HJGD	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(OC(F)F)cc1	777426120	XQJLVHIABXSLNI-UHFFFAOYSA-N	411.430	4.845	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	777827838	IFWOBIBOXISRBC-UHFFFAOYSA-N	422.293	4.660	50	20	HJGD	
C[C@](O)(CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccsc1	777979385	XKNLFQAVRPBJBY-ZDUSSCGKSA-N	423.450	4.592	50	20	HJGD	
C[C@]1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCCC[C@@H]1O	777987940	RWVIJHINCHLLJX-UONOGXRCSA-N	409.442	4.564	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1ccc(-c2ccccc2)nn1	778508676	KUZXREWUPHYIPH-UHFFFAOYSA-N	423.448	4.611	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1	787572621	PVLPRDBHSVHUEO-JMOSNPTESA-N	416.456	4.582	50	20	HJGD	
N#C/C(=C/c1ccc(OCC2CC2)cc1)C(=O)Nc1nc2ccccc2nc1Cl	790100740	HSLIJKBIRYEWAC-WJDWOHSUSA-N	404.857	4.618	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1	790167258	OVGVCNVXMCJKLQ-LLVKDONJSA-N	407.301	4.729	50	20	HJGD	
Cc1nccnc1N1CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1	792880311	CYGHPPFMWYMBDD-UHFFFAOYSA-N	412.654	4.629	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cc(C#N)n1C	793824797	VIFQMLMXRMRBLT-VIZOYTHASA-N	407.886	4.528	50	20	HJGD	
C=C(CBr)COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1	795523627	FNUWNMZSGSCNHN-UHFFFAOYSA-N	418.074	4.684	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc(Oc3ccccc3)cn2)cc1	799408354	SYQCINKXRBTZPW-UHFFFAOYSA-N	420.538	4.848	50	20	HJGD	
O=c1oc2ccc(OS(=O)(=O)c3cccc(S(F)(F)(F)(F)F)c3)cc2o1	799824271	RBEDMDGPWLRIIW-UHFFFAOYSA-N	418.317	4.811	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2nccnc2C(C)C)cs1	811462724	WZKVTSZSIVYEMS-UHFFFAOYSA-N	413.522	4.592	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2nc(S)oc2c1	817015478	DQHJXXJSBAVDJX-UHFFFAOYSA-N	421.322	4.911	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(CO)c3)c2C)cc1	900293635	NUOIVJAWSPKFOB-STZFKDTASA-N	415.493	4.531	50	20	HJGD	
CCN(Cc1ccccc1Cl)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	914502022	PRKCSGCXOPNKSG-RHLNUJDMSA-N	413.949	4.921	50	20	HJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccncc3)cc2)n1	915985521	MUHRUGUTHVXHEG-LDADJPATSA-N	418.522	4.960	50	20	HJGD	
O=C(NN=Cc1cc(Br)ccc1F)c1ccc(COc2ccccc2)o1	916360453	TUJDACXIRASHOH-UHFFFAOYSA-N	417.234	4.524	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)c(Br)cc1O	921262292	SOZBVYQBNVWRAP-AUWJEWJLSA-N	412.243	4.586	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1csc(Cc2ccc(Cl)cc2)n1	1116070448	OFYAEYJIAHSZMX-UHFFFAOYSA-N	400.916	4.754	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)NC1(C2CC2)CCOCC1	1325557802	GBXAHYYEYNTLAB-CQSZACIVSA-N	408.873	4.987	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](CC)N(CC)CC)cc2)CCC1	1786447682	NKSFVXBUPKPOOT-PMACEKPBSA-N	422.013	4.648	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(F)(F)c3ccco3)CCC2)cc1	1790487971	BHPPKODCMFUORN-HNNXBMFYSA-N	410.848	4.523	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](Cl)CCC)[C@H]1c1cccnc1	1803696083	WTFGHFQSXSVAFG-OYNPSCLESA-N	422.013	4.711	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3ccc(C)c(Cl)c3)C2)CC1	1805084657	RUHLIBYIRXLWTL-KRWDZBQOSA-N	411.373	4.511	50	20	HJGD	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](Cl)CCC)n[nH]1	1815315343	WSAZVUWOAYKJHD-NVXWUHKLSA-N	408.974	4.802	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1	1826526416	HVPHFTHSWFSRIJ-UYEOAAJESA-N	416.993	4.727	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828408673	NUNQULXTCQZZAW-OALUTQOASA-N	414.993	4.686	50	20	HJGD	
O=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1Cl	8203842	DALTXWQHEUTSNR-UHFFFAOYSA-N	410.926	4.624	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCSc3ccccc32)c1C	302897882	QIYZQYLTALBTNZ-PGWNKUNCSA-N	409.555	4.573	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(CSc2nc(C)cs2)cc1	725732404	OTSRZPATUDSKBU-UHFFFAOYSA-N	416.480	4.880	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccccc1Oc1ccccc1	725875862	WONVJZLGDHAGGK-GOSISDBHSA-N	403.482	4.503	50	20	HJGD	
O=C(NCc1cccc(CO)c1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	729552854	IZFOYWXPCMIKMW-OAHLLOKOSA-N	404.841	4.720	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)N(C)c1ccccc1	732716488	RWIYOQGLCNCBDY-SFQUDFHCSA-N	408.864	4.602	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(OCc2cccc(F)c2)c1	733891768	SRDIYADFCYSKIH-UHFFFAOYSA-N	401.869	4.709	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1csc(-c2ccc(Cl)s2)n1	740128252	MULBXXVOELZUSR-UHFFFAOYSA-N	404.826	4.696	50	20	HJGD	
CCc1noc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	741819315	FLCZADBMHSEYGF-DISPHTKASA-N	424.888	4.904	50	20	HJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1	746340868	UVTOXXZIEQEFTF-XNTDXEJSSA-N	405.281	4.954	50	20	HJGD	
Cc1cc(O)c(C(C)C)cc1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	748128951	HUJXRTGRSFGUGQ-TUJQNWBVSA-N	421.541	4.967	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1	748415772	JBZJGIWNPOPRNJ-INIZCTEOSA-N	420.340	4.606	50	20	HJGD	
O=C(CCC(=O)c1ccc2ccccc2c1)NNc1ccc(OCC(F)(F)F)cc1	748701743	YLWZFAFUQCQQLZ-UHFFFAOYSA-N	416.399	4.887	50	20	HJGD	
Cc1ccc(-c2nnc(-c3ccc(C(=O)NNc4cc(F)c(F)c(F)c4)cc3)o2)cc1	748811065	RBXRQTLJKNDINZ-UHFFFAOYSA-N	424.382	4.886	50	20	HJGD	
CC(=O)Nc1cccc(COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	749099346	CQWITMABOBZUKI-LPYMAVHISA-N	407.514	4.760	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)Nc1ccccc1COCc1ccccc1	755917770	XZHMLQHCNROGMF-UHFFFAOYSA-N	417.509	4.579	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccccn1	760861453	WXTYOFMHMAUKIE-IBGZPJMESA-N	417.296	4.813	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C[S@@](C)=O)c(C)n1CCC(C)C	762506661	HDNSEHBQYFBSEY-WEUSUWRTSA-N	411.571	4.575	50	20	HJGD	
CC(C)(C)N1C[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1=O	762966316	OOANAENXCQRLAB-NSHDSACASA-N	401.401	4.865	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2cccc3c2OCCO3)cc1OC	771513413	KMYYZDRDMKQURB-GDNBJRDFSA-N	413.857	4.698	50	20	HJGD	
CCOc1cc(C(=O)NNc2c(F)cccc2Cl)ccc1OCc1cccnc1	771673926	JCCDSTDTFLZTDR-UHFFFAOYSA-N	415.852	4.609	50	20	HJGD	
C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772956952	ZCMMGKCQAQEDGC-LLVKDONJSA-N	424.391	4.736	50	20	HJGD	
CCCCN(CCOC)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773241923	JUCFJSQRQXKQOK-UHFFFAOYSA-N	404.401	4.558	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12	774116959	BMMRGAIILJTEJC-MDWZMJQESA-N	416.861	4.544	50	20	HJGD	
C[C@H](C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1	774342090	DAXVJHLQCDUVNG-NSHDSACASA-N	415.405	4.953	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(C(=O)N2CCCCCC2)cc1	775533383	PJYCRKSYADSPTR-UHFFFAOYSA-N	420.435	4.870	50	20	HJGD	
CC1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CCN(Cc2ccccc2)CC1	776181589	MSIQJISNNXSJSD-UHFFFAOYSA-N	409.427	4.590	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	780948145	GHMHELCSDWFLBK-UHFFFAOYSA-N	417.200	4.782	50	20	HJGD	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)ccc1O	781658462	AVHPBPNIOFQMCD-UHFFFAOYSA-N	420.337	4.759	50	20	HJGD	
O=S(=O)(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1ccc(S(F)(F)(F)(F)F)cc1	782983092	INHJQCXHFBNOOF-MGPQQGTHSA-N	407.426	4.580	50	20	HJGD	
CCCc1c(NC(=O)NNc2ccc(Cl)c(OC)c2)cnn1-c1cccc(C#N)c1	788681460	HOBPSCQOPZVFGN-UHFFFAOYSA-N	424.892	4.507	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CCC(F)(F)C1)c1ccc(CSc2ccc(Cl)cc2)cc1	794863970	ARGBGFPKPIUBPP-OAHLLOKOSA-N	424.900	4.829	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cccc(Cl)c2C)c1C	799426808	QKAIKHALYCMCMF-WQRHYEAKSA-N	413.905	4.566	50	20	HJGD	
Cc1c(NNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-]	799706622	OUPXINFQZUKQMQ-UHFFFAOYSA-N	424.438	4.720	50	20	HJGD	
Cc1ccc2cc(C(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)ccc2n1	804208719	VXRRMQOSIJMJEY-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1nccnc1C1CCC1	805468937	BXBOATMRZYWXIP-UHFFFAOYSA-N	418.284	4.771	50	20	HJGD	
O=C(NCc1ccccn1)c1cccc(NCc2ccc(OCCCCl)cc2)c1	811469262	ALCUNFUDZDFULI-UHFFFAOYSA-N	409.917	4.631	50	20	HJGD	
CN1CCO[C@@H]([C@@H](NCc2ccc(OCCCCl)cc2)c2ccc(Cl)cc2)C1	811486064	IFGXTMQYNPJSGB-YADHBBJMSA-N	423.384	4.509	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@@H]1c2ccccc2CC12CCOCC2	812561123	DJGYSVDWJVASTJ-GOSISDBHSA-N	406.313	4.714	50	20	HJGD	
CC(CCc1ccc(O[C@@H](C)C(=O)O)cc1)=NNC(=O)c1ccc(C(C)(C)C)cc1	814741677	KJRJLYODDDHFNN-KRWDZBQOSA-N	410.514	4.575	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)C1CCN(c2noc3ccc(Cl)cc23)CC1	815854002	JYZKNMARLFHMLG-UHFFFAOYSA-N	424.932	4.720	50	20	HJGD	
N#C/C(=C/c1ccc(OC[C@H]2CCCO2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	834681038	ULZMCUDIYQCRQV-TUOAVLBBSA-N	416.399	4.809	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(C)n1C[C@H]1CCCO1	915177167	TVWLUJQIDXBOIR-QMADHPBGSA-N	409.574	4.618	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)CCSc1ccc(F)cc1)c1cccc2ccccc12	915903252	YKFUAKBYCQGFPA-OAHLLOKOSA-N	411.502	4.553	50	20	HJGD	
COc1ccc2ccccc2c1C=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	916284798	DTZOVFABDUBVJM-UHFFFAOYSA-N	423.687	4.550	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CCN3CCCCC3)cc2)cc1	918678650	CNTOFPDIPAZFMK-PYCFMQQDSA-N	403.526	4.659	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@H](O)COc1cccc(Cl)c1Cl	920350207	YIMWGQBIKOEIES-QWHCGFSZSA-N	424.415	4.563	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1C	921169529	VNPIJVNTABTOTQ-IOVUBPJKSA-N	424.976	4.718	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(C)n(Cc2ccco2)c1C	1322856992	LDCMXYNORYZOAT-UHFFFAOYSA-N	402.292	4.574	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1nc(-c2ccccc2)oc1C1CC1	1329819093	OPIZPWHOKLFYKM-UHFFFAOYSA-N	412.902	4.504	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)CCC1	1788454718	WHWHGECKIBZKHN-UHFFFAOYSA-N	424.932	4.527	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C)c2F)n[nH]1	1814582421	FWUJYUSDBXHZMD-DOTOQJQBSA-N	420.916	4.571	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc2c(c1)OCCO2	23739668	RKIZCVIRMCGAQY-NTEUORMPSA-N	423.881	4.780	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(/C#N)C(=O)c3ccccc3)cs2)cc1	211396265	ZJKWEZVGHGSCSA-ATVHPVEESA-N	403.463	4.626	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ncon3)cc2)c(C)n1CCC(C)C	726930988	JRGDIJVXOXJWQW-NDENLUEZSA-N	403.486	4.747	50	20	HJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=S)Nc3ccc(Cl)nc3)cc2C1	727067231	XRTAHUFCOZIQSY-LBPRGKRZSA-N	423.007	4.579	50	20	HJGD	
CCCc1ccc([C@@H](NC(=O)NNC(=O)c2cccc(OC(F)F)c2)C(C)C)cc1	728598824	ODPPOLMEIFGLND-IBGZPJMESA-N	419.472	4.582	50	20	HJGD	
Cc1noc(C(C)C)c1C(=O)NNc1ccc(Br)cc1C(F)(F)F	731477751	NTOFVLNIFGPBBD-UHFFFAOYSA-N	406.202	4.645	50	20	HJGD	
CC(C)(C)C[C@H](NC(=O)NNC(=O)NCc1ccc(Cl)cc1)c1ccccc1	733037181	QYCXSWCBJHMESB-SFHVURJKSA-N	402.926	4.531	50	20	HJGD	
C[C@@H]1C[C@H](CC(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC(C)(C)C1	734257878	ULLVBIXXNNGTRX-ZIAGYGMSSA-N	421.467	4.853	50	20	HJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2csc(N(C(C)=O)C3CC3)n2)cc1	734305978	IWBJOUINRZKDCG-RQNDZEIBSA-N	408.527	4.718	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C[S@@](C)=O)c2)c(C)n1CCC(C)C	734403977	HXIXHUYDRVCUDB-ZWRZIAIJSA-N	411.571	4.575	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H](CO)c1cccc(F)c1	734644857	FOJCFOHKCCOVPU-ZFWWWQNUSA-N	422.831	4.900	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCOC[C@H]3c3ccco3)c2C)cc1	735025072	LSZDWYRJFCOPGV-YJADQXIJSA-N	415.493	4.503	50	20	HJGD	
Cc1cc(NNC(=O)c2sc3cccc(F)c3c2COc2ccccc2)nc(C)n1	736718958	SXBHIAVDNKAILB-UHFFFAOYSA-N	422.485	4.783	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1csc(C2CC2)n1	742006527	LLWWXPNGJAPLBC-UHFFFAOYSA-N	407.120	4.847	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c(Cl)c1	743548439	RYWOIYHNDQKEBD-CQSZACIVSA-N	404.898	4.533	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2c(CC)cccc2CC)cc1	744572218	XXWBPIBRIQMGIQ-SZHLLGMXSA-N	420.509	4.687	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CCOc2ccccc2-c2ccccc2)c1	745186525	QRZAEYYBYPIMEZ-UHFFFAOYSA-N	423.513	4.588	50	20	HJGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNc1c(Cl)cc(Br)cc1Cl	745819532	AGKWPTSYYOVJNB-LURJTMIESA-N	422.110	4.748	50	20	HJGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NNc1cc(F)c(F)c(F)c1	746699460	GJPQDLOGIPDTDX-UHFFFAOYSA-N	407.417	4.758	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(C#N)cc2)cc1C	747050903	KWMZZPNDRSEFAA-UHFFFAOYSA-N	419.488	4.792	50	20	HJGD	
O=C(NN=Cc1sc(Nc2ccccc2)nc1Cl)c1cccc2cccnc12	747362238	UAFOSVMKWPMJOI-UHFFFAOYSA-N	407.886	4.852	50	20	HJGD	
CCOc1cc(C(=O)NNc2cccc3c2CCCC3)ccc1OCc1cccnc1	748584839	BCCYGRBTWOHIAD-UHFFFAOYSA-N	417.509	4.695	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(OC(F)F)cc2)ccc1OCc1ccccc1	748637888	LJKHEHXBCKDOSG-UHFFFAOYSA-N	414.408	4.633	50	20	HJGD	
COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)CC2CCCC2)cc1	749450568	YDVUYQYPRHAXNJ-UHFFFAOYSA-N	416.525	4.637	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1	753842008	RBCSMCMQAGHQRS-UHFFFAOYSA-N	413.399	4.822	50	20	HJGD	
CCCc1noc2nc(C3CC3)cc(C(=O)NNc3cc(C(F)(F)F)ccc3F)c12	754154087	VDOQRPXQLXEPRB-UHFFFAOYSA-N	422.382	4.968	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C=NNC(=O)c1ccc(Cl)cc1Cl	755580510	DPIIZUHXQMFZDX-UHFFFAOYSA-N	407.688	4.905	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccn(Cc2ccc(F)cc2)c1=O	755770731	VFWIALIESZJDSZ-KRWDZBQOSA-N	406.548	4.688	50	20	HJGD	
O=C(Nc1cnccc1-c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1	760307605	OSLJHTRRZNTOOM-UHFFFAOYSA-N	408.461	4.557	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](CCO)c2cccs2)c(C)n1C1CCCCC1	761937861	YDNDOVWQGJSSTB-CKNGIZQFSA-N	411.571	4.819	50	20	HJGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762725509	WYTVVJYSROUJOD-QMMMGPOBSA-N	415.413	4.785	50	20	HJGD	
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NNc3c(Cl)cccc3Cl)C2)c1	763613083	WLCGDVCJCMFUII-CQSZACIVSA-N	421.328	4.689	50	20	HJGD	
CCOc1ccc(-c2noc(CCC(=O)NNc3c(Cl)cccc3Cl)n2)cc1	763623971	KCZGXMBULYEIHU-UHFFFAOYSA-N	421.284	4.518	50	20	HJGD	
CCOC(=O)NNC(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1	769986123	LVELXOHTBRRPLB-UHFFFAOYSA-N	402.209	4.707	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4c(C)cccc4F)cc3)o2)c1	771688601	GFWDYTOIPKIDIJ-UHFFFAOYSA-N	402.429	4.916	50	20	HJGD	
COc1cc(/C(C#N)=C/c2cn(-c3cccc(Cl)c3Cl)nn2)ccc1[N+](=O)[O-]	774563437	ZQSVAKXAQJKOEL-KPKJPENVSA-N	416.224	4.555	50	20	HJGD	
CN1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c2ccccc21	777951748	IHIASOHPXFGHBI-UHFFFAOYSA-N	414.421	4.989	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H]1c1ncc[nH]1	778063434	SYIOSGDDRAYKOP-GFCCVEGCSA-N	403.398	4.593	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c([N+](=O)[O-])cc1OCC(F)F	778517278	KKCXMFWNSMFDCU-CHHVJCJISA-N	416.380	4.654	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1	780578370	IFABXAFQNHGKQD-UHFFFAOYSA-N	421.501	4.972	50	20	HJGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)CCO1	781970509	PFYNZRUCDQBWOU-NHYWBVRUSA-N	423.273	4.752	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1	782448892	XJXKQEXDHWVTGB-BPKVKKHESA-N	409.829	4.610	50	20	HJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1	788533197	GJIVBXDNKBTWAR-AWEZNQCLSA-N	401.388	4.997	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccc(CSc2ccccc2)cc1	788562464	KGMKYTZWKNAAJI-UHFFFAOYSA-N	419.535	4.649	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@H](Sc1ccccc1)c1ccccc1	788566694	MFEJQLKYYUWZCO-GOSISDBHSA-N	419.535	4.577	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3ccnn3C)C2)c(C)n1C1CCCCC1	801064144	FUICILVKFNYBAQ-QCBCRBAMSA-N	419.573	4.657	50	20	HJGD	
CCOC1CC2(CCN(C(=O)/C(C#N)=C/c3cc(C)n(C4CCCCC4)c3C)C2)C1	804629748	ILEJZYKCHUTYOB-FYJGNVAPSA-N	409.574	4.935	50	20	HJGD	
Cc1ccc(-c2csc(NC(=O)C(=O)NNc3ccc(C(C)(C)C)cc3)n2)s1	806968082	WGYQIUZSZAPVKN-UHFFFAOYSA-N	414.556	4.559	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc(C#N)n1C	809301465	LJUYVMSFNCKGAH-UUYOSTAYSA-N	415.493	4.586	50	20	HJGD	
CSc1ccc(-c2nsc(NC(=O)NNc3ccc4ccccc4n3)n2)cc1	809932168	UBYCYVIWBNGVOT-UHFFFAOYSA-N	408.512	4.624	50	20	HJGD	
COc1ccc(C2(CNCc3ccc(OCCCCl)cc3)CCOCC2)cc1	811475687	KQEZPVOSLWCHHW-UHFFFAOYSA-N	403.950	4.541	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812245398	RICOUJMMZLWGTA-ZSOIEALJSA-N	414.252	4.914	50	20	HJGD	
C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)CCCC[C@@H]2CCSS2)C1=O	815178010	FBEBHIWTDKEVJA-ZTFGCOKTSA-N	411.564	4.745	50	20	HJGD	
Cc1c(-c2ccccc2)oc2c(C(=O)NNc3ccc(F)cc3F)cccc2c1=O	876963479	PQVHVQZYCXKROS-UHFFFAOYSA-N	406.388	4.804	50	20	HJGD	
CCCN(Cc1ccc(C#N)cc1)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	914512160	JPYOQVUYPKFWBM-RIMPEIONSA-N	418.541	4.530	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)c1cccc(C)c1C	914528900	HITBAZRMSGDDGW-SINAZASISA-N	405.542	4.861	50	20	HJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1cc(Cl)ccc1O	914555701	WZDZTJBKIMASDI-UHFFFAOYSA-N	417.296	4.772	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)[nH]1	914747777	KCMDEDNGFRADLX-UHFFFAOYSA-N	413.930	4.652	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](c2ccccc2)C(C)C)c(C)n1C[C@H]1CCCO1	915174790	CUCNSKWDTKREJW-ZINKJAKCSA-N	419.569	4.747	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N(C[C@@H]1CCOC1)C1CC1	915341187	OJEKWKOSMDPVQK-XHDPSFHLSA-N	408.873	4.939	50	20	HJGD	
C[C@H](NC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1cccc(OC(F)F)c1	918212143	GOANJGRJKTVYNS-QMMMGPOBSA-N	424.757	4.743	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc(C)cc3C)o2)c(C)c1	920210910	QFDOMHBPKJTWCL-UHFFFAOYSA-N	423.538	4.724	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3ccc(O)c(Cl)c3)cc12	921251540	QVDWYOPYWXJIEY-UHFFFAOYSA-N	410.886	4.518	50	20	HJGD	
CC(C)[C@]1(CO)CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	1324540747	RPSCQEBEXFUFCV-GDBMZVCRSA-N	410.889	4.778	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2ccc(C(C)(C)C)nn2)c(C)n1C1CCCCC1	1328714005	DKMCOSZBLCTHIA-XMHGGMMESA-N	420.561	4.748	50	20	HJGD	
C[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)CCBr)cc3)CCC2)CC1	1787673485	CQKQUZHWOLISOI-WKILWMFISA-N	421.379	4.732	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cc2sccc2[nH]1	1789368145	VRIZEUHWJGADJL-MRXNPFEDSA-N	405.882	4.512	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1	1822973756	NJTHUTBXMHLSKG-LUQKVYGDSA-N	406.958	4.556	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1C	7408276	HYIDMKUGVJBABP-RCCKNPSSSA-N	406.530	4.543	50	20	HJGD	
O=C(NN(c1ccccc1)c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1	14709791	PUESFUIUDZPUOP-UHFFFAOYSA-N	412.493	4.914	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2)c1C	22300671	OSQSXKNHCMROAS-KNGGAZFVSA-N	407.514	4.691	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2C(C)(C)C)c1C	207219325	SIYAVTXQUVCCOT-ZHZULCJRSA-N	421.541	4.901	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	727843026	QACQJLMWVOGRIE-QGZVFWFLSA-N	422.554	4.533	50	20	HJGD	
O=C(NC[C@H](O)Cc1ccccc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	729553034	MEEPOOWMMLWNIQ-CJNGLKHVSA-N	418.868	4.631	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)c1C	730293880	WOQBMNOPUCSPKT-ZDLGFXPLSA-N	424.888	4.869	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)c1C	735458307	DLHMDJQAUGJNAY-SWEABUAFSA-N	420.340	4.843	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	740763688	FXQMQGASKLUPPR-JHDSZEHQSA-N	418.928	4.986	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	740763690	FXQMQGASKLUPPR-REIAIGDLSA-N	418.928	4.986	50	20	HJGD	
CCN(CC)C[C@H]1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)C1	742868155	QEXCJCZPJTVSFW-CPOKCXMASA-N	410.606	4.707	50	20	HJGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743826167	CJDPDVYCAOZTQF-KRWDZBQOSA-N	403.482	4.709	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2c(CC)cccc2CC)cc1	744572220	XXWBPIBRIQMGIQ-WNSCPLKPSA-N	420.509	4.687	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2C)ccc1OC(=O)c1ccccc1F	744859401	QABHCBLLRJDZPY-WJDWOHSUSA-N	405.381	4.745	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)c(Cl)c1	746425392	HTEFGACTHCKPAB-OAHLLOKOSA-N	423.904	4.807	50	20	HJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(O)c1)C(=O)Nc1ccccc1Oc1ccccc1	748149066	SUYMBUIKJYOVGS-FOWTUZBSSA-N	401.378	4.638	50	20	HJGD	
C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NNc1ccc(OC(F)F)cc1	748656628	YVFASHYDRMPMAL-CQSZACIVSA-N	413.424	4.589	50	20	HJGD	
Cc1cc(C)c(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)o1	749310082	FQTRHAKXMXQJIF-UHFFFAOYSA-N	412.511	4.610	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	749944767	GYYUPNJWHBMAJS-UHFFFAOYSA-N	404.841	4.915	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1C	750959218	ZREUSNFJOWWNRZ-RPJLVFAOSA-N	418.497	4.877	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c2ccc(F)c(F)c2)c1C	750979965	VLDIARSCGDWXFO-PACYTGELSA-N	415.484	4.549	50	20	HJGD	
CCCc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)cnn1-c1ccccc1	752661490	LNCLDXQDHDUERP-UHFFFAOYSA-N	406.383	4.740	50	20	HJGD	
O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)Nc1cccc(C(F)F)c1	756299389	CXWMYLPMRBPNCU-UHFFFAOYSA-N	405.401	4.958	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cc3ccccc3o2)c(C)n1C[C@H]1CCCO1	758683950	INNDLMDVFWBMCU-LYCWOWIHSA-N	404.466	4.681	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2cccc(C=NNC(=O)c3cc4ccccc4o3)c21	761817340	MGQMHZIPHWTXTA-UHFFFAOYSA-N	419.481	4.884	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(F)cc2)c1	766670998	FVEJMSRUENXXQU-UYRXBGFRSA-N	402.425	4.959	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	769966741	VPCCUZCADVOEGJ-SFHVURJKSA-N	406.877	4.551	50	20	HJGD	
CC[C@H](c1ccccc1)c1nnc(NC(=O)NNc2ccc(F)c(F)c2F)s1	770025538	RNOZDWRQBAZZKE-LLVKDONJSA-N	407.421	4.646	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1cccc2c1CN(c1ccccn1)C2	770077288	FXBHFHSNKSFTSB-UHFFFAOYSA-N	413.403	4.769	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc(C(F)(F)F)ccc1Br	771021726	TUTKAQCGRKCUFX-UHFFFAOYSA-N	416.222	4.835	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccccc1SCc1ccc(C#N)cc1	772874917	JDIKDJMLVXACIF-UHFFFAOYSA-N	403.511	4.521	50	20	HJGD	
CC(C)Sc1n[nH]c(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1	777669845	LFHDQCOKLGQZAI-UHFFFAOYSA-N	424.442	4.763	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2cc(-c3cccs3)nc3ccccc23)c1	780801155	GZJHRQHFPBQEEG-UHFFFAOYSA-N	403.463	4.507	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	781365588	XLHCXCZYJOYIEQ-WYMLVPIESA-N	400.413	4.606	50	20	HJGD	
C[C@@H](CS(C)(=O)=O)N(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C1CC1	788020533	QAWNDJIINOHJKA-KRWDZBQOSA-N	411.684	4.606	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)c(-c2ccncc2)n1	788349505	LHBLZFHJEWPEFQ-PTNGSMBKSA-N	422.275	4.955	50	20	HJGD	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)NNc2cc(Cl)nc(N)n2)cc1	789135472	XWYXAEDTZQNQLI-LBPRGKRZSA-N	414.922	4.714	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1C	801092934	ZWKUFYNTQXBNFG-RMPXLQJNSA-N	417.553	4.596	50	20	HJGD	
N#C/C(=C\c1cn2ccc(Br)cc2n1)C(=O)c1ccc(Cl)cc1F	811693278	IWHKNIJDDATJHS-BJMVGYQFSA-N	404.626	4.679	50	20	HJGD	
CC(C)[C@]1(CO)CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	815095340	OLODDMZOLMXKER-OAHLLOKOSA-N	423.469	4.763	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCc2cccc3ccccc23)c1C	915179103	NJWLARKEICYWNP-OQLNFPPLSA-N	415.537	4.731	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)Cc2ccc(F)cc2)cc1	916350990	VILYWRGJBAHMTB-UHFFFAOYSA-N	412.468	4.680	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNc1ccc(Cl)cc1[N+](=O)[O-]	917213648	APOJUJSVILJNRG-UHFFFAOYSA-N	421.240	4.633	50	20	HJGD	
C[C@@H](NC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1cccc(OC(F)F)c1	918212142	GOANJGRJKTVYNS-MRVPVSSYSA-N	424.757	4.743	50	20	HJGD	
CC1CCC(N(C)C(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	918274682	JKUIOQADCCUNPX-VCMHEYGDSA-N	422.900	4.882	50	20	HJGD	
Cc1ccccc1C1(CNC(=O)NNc2ccc(Cl)cc2Cl)CCOCC1	919921892	ZKYQOGOSLOLTRG-UHFFFAOYSA-N	408.329	4.676	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1C	921169528	VNPIJVNTABTOTQ-IAFWPLRWSA-N	424.976	4.718	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2)cn1	1325017831	WLVGNTWNCVJMMB-YBEGLDIGSA-N	410.449	4.947	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)nc3F)CCC2)cc1	1786441785	BKAFLAYFOWRAMV-INIZCTEOSA-N	421.875	4.515	50	20	HJGD	
C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1789508945	YCUICMWVMIADNB-IBGZPJMESA-N	423.004	4.706	50	20	HJGD	
O=C(/C=C/C1CCCC1)NC1(c2ccc(NC(=O)[C@H](F)Br)cc2)CCC1	1790538961	NBWGPPBZAKEPDB-QKIXSCASSA-N	423.326	4.557	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3cccc(F)c3F)cc2)CCC1	1791379477	JCXNPIPFMXGBMP-KRWDZBQOSA-N	420.887	4.659	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)CCl)[C@@H]1c1cccnc1	1802901401	BTVRLSFGWUPNLK-IHPCNDPISA-N	422.013	4.569	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nnc2n1CCCCC2	5069685	VODUVRCMIVBHFA-CAPFRKAQSA-N	406.493	4.921	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@@H](CCc1ccccc1)c1ccccc1	730119085	GOZOGHMUFCKUBR-QHCPKHFHSA-N	424.504	4.553	50	20	HJGD	
Cc1nc(CCC(=O)NNC(=S)Nc2ccccc2C(C)C)oc1-c1ccccc1	730283765	OUQPTPQFDHPGPZ-UHFFFAOYSA-N	422.554	4.724	50	20	HJGD	
O=C(NNc1c(F)cccc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	735757941	GTCDAUMTEAFZOV-HTQZYQBOSA-N	405.289	4.500	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccn(-c2cccc(C(F)(F)F)c2)n1	737466642	WGUFVJSGLPZDSH-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](C)C[C@H](C)O)c(C)n1-c1cccc2ccccc12	740842264	FVRFEBYUDIDQQB-TXGMUTBFSA-N	415.537	4.678	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(Br)cc(Cl)c1O	741447031	KVSAFGMKNKASBZ-UHFFFAOYSA-N	409.589	4.584	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@@H]1C[C@H]1c1cccc(Cl)c1	741980528	XNHHFAQFJKNXEI-NWDGAFQWSA-N	401.638	4.628	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl	742035207	CCBPOKVIWDQICW-ZIAGYGMSSA-N	418.107	4.865	50	20	HJGD	
Cc1cccc(NNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c1	743298736	CFYLWXFBZBMYAT-ILBGXUMGSA-N	413.521	4.618	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(N3CCOC3=O)c2C)c1C	743787947	SVBPGILHJRDXKZ-ZHZULCJRSA-N	420.513	4.716	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2sc(C)c(C)c2C)c1C	744558456	GXDBUVUUTKKQKM-GRSHGNNSSA-N	413.543	4.591	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)nc(C)n1	745994519	FFMOBZAVSRWQMB-UHFFFAOYSA-N	403.269	4.949	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)c1	748044625	UEEDJALSQUOKLZ-SAPNQHFASA-N	406.445	4.943	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccc(Br)c(Cl)c1	748185634	XXRCPRUWRDPRRZ-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccc(OCC(F)(F)F)cc3)o2)cc1	748695420	IYBOXLOLAPKSFV-UHFFFAOYSA-N	419.403	4.667	50	20	HJGD	
C[C@@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccc(Br)s1	754152305	HGUWQOOJLKWJPF-SSDOTTSWSA-N	411.218	4.915	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)Nc1cccc(SC(F)F)c1	756332902	FAARLNARUDNKOQ-UHFFFAOYSA-N	401.438	4.550	50	20	HJGD	
Cc1cc(F)c(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1F	758221623	QRPWRBMJNDPHSB-UHFFFAOYSA-N	409.152	4.811	50	20	HJGD	
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)Nc1nc2ccccc2nc1Cl	759116817	SWLDTAWFRJSTEB-RAXLEYEMSA-N	403.804	4.516	50	20	HJGD	
Cc1nc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)no1	759511577	OXBSWDFGOMILMG-IREQLNLFSA-N	410.861	4.650	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2O[C@H]2CCOC2)c(C)n1CCC(C)C	760154734	TZJBUJCFSKPDMV-AMUNLKFJSA-N	421.541	4.864	50	20	HJGD	
COCc1ccccc1CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762633858	IBJWJHIFSXDKPZ-UHFFFAOYSA-N	424.391	4.745	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cc(Br)cc4c3OCC4)n2)cc1	764886681	KNEJQMOBXFFRCK-LZYBPNLTSA-N	408.255	4.807	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(C)n1CC(C)C	765323001	IZSUAKDDEIOARY-FWBLKAANSA-N	405.542	4.704	50	20	HJGD	
O=C(NCC1CCN(C2CC2)CC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	770127257	DAISIHKXAHFGIQ-MRXNPFEDSA-N	421.916	4.902	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)c3cc(SC)ncn3)c2)cc1	773174897	APPYRGUXONTFFE-LICLKQGHSA-N	402.479	4.524	50	20	HJGD	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H](C)S1	773332255	HBUFMPORFCRWOI-AOOOYVTPSA-N	404.426	4.635	50	20	HJGD	
Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1	773765987	BOIKEZGESWWCAX-UHFFFAOYSA-N	422.312	4.705	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	774338542	SGGIMYCIUXJOPI-CQSZACIVSA-N	420.222	4.580	50	20	HJGD	
CC[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777963885	LVQCGSBVDVKDFQ-UONOGXRCSA-N	409.442	4.658	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)cc1	780806294	IFKMWWBNUSIMRY-UHFFFAOYSA-N	400.429	4.733	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3n[nH]c(C4CC4)c3C)c2C)cc1	783648485	XQVYKTJPKDAJFY-XDHOZWIPSA-N	415.497	4.557	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1Cl)C(=O)c1ccccc1OC(F)F	789149432	YPIGJLJGOKKAAW-XNTDXEJSSA-N	413.811	4.976	50	20	HJGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl	789746229	JGJYGRXBTQDGKJ-UHFFFAOYSA-N	418.255	4.881	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1cc(-c2ccccc2)ccc1Cl	791948471	WUXSSHANQXZFQD-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
CN1C(=C(C#N)C(=O)CCC(=O)Nc2cccc(C3CCC3)c2)N(C)c2ccccc21	794509440	DALKMQJTSDHPNI-UHFFFAOYSA-N	414.509	4.563	50	20	HJGD	
COc1cc(/C=C/C(=O)NNc2c(C)cccc2C(C)C)cc(Br)c1O	794950940	AJWWIOGAUYZBID-CMDGGOBGSA-N	419.319	4.752	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(C(C)(C)C)nc2)c1C	797293404	CGQJKKCWGCSAKU-QREGZJMFSA-N	409.530	4.655	50	20	HJGD	
C[C@@H](C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C(F)(F)F)cc1	798964236	KMQFKWLHBQAFLQ-SNVBAGLBSA-N	410.783	4.656	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCCC[C@H]1c1cc[nH]n1	807305451	VZUXGGHUWLNZFZ-AWEZNQCLSA-N	424.395	4.759	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)n(C3CCCCC3)n2)c1C	811935071	AGAPBCKIAAGJKX-LANLRWRYSA-N	423.561	4.868	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1	817916757	BRXHCZVGMLHXMI-NTCAYCPXSA-N	405.435	4.878	50	20	HJGD	
O=C(CC1CC1)NNC(=O)c1oc2ccccc2c1CSc1ccccc1Cl	819109527	GOTSIRNWKIATJO-UHFFFAOYSA-N	414.914	4.940	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1C	827778343	VDHYZRSZWYZBQH-ZHZULCJRSA-N	404.514	4.799	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c3ncccc23)c1C	881467821	DNYBLMBBGJFXQR-BRLDDBHUSA-N	402.498	4.715	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nncs2)c(C)n1-c1cccc(C(F)(F)F)c1	895790363	JSMULDLJVVXQHW-VGOFMYFVSA-N	417.416	4.510	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2noc(-c3ccsc3)n2)c1C	899055970	SEUZOVCSFWCMDA-ZDLGFXPLSA-N	410.499	4.667	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(OC(F)F)cc2)c(C)n1CC(C)C	912664226	GUSWCQVAAKRJLB-JAIQZWGSSA-N	415.484	4.928	50	20	HJGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)s1	914599317	CUAVZQQFCURBCU-QINSGFPZSA-N	419.344	4.627	50	20	HJGD	
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)NN(Cc1ccccc1)c1ccccc1	915346549	DVDIWDYHGPQPQS-XMMPIXPASA-N	417.509	4.988	50	20	HJGD	
O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)Nc1nc2ccccc2s1	920273361	AXNDYDRPYVAOSF-UHFFFAOYSA-N	412.471	4.630	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(COC(C)C)c2)c(C)n1C[C@H]1CCCO1	920476647	NBUIPVCFQBBAPE-RWTNITNYSA-N	421.541	4.755	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c1	920833563	KNMAJVUAFOFKSU-OVCLIPMQSA-N	401.369	4.667	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)nn1	1116096422	OJHYVBPBEYFGAQ-FQEVSTJZSA-N	410.518	4.890	50	20	HJGD	
Cc1ccc(C(=O)NNc2nncc(N)c2Cl)c(Sc2ccc(Cl)cc2)c1	1320290081	RSPRLIKBHMJSPE-UHFFFAOYSA-N	420.325	4.582	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cc[nH]c4nccc3-4)CCC2)cc1	1786011816	ASBWQDODAJPDFG-UHFFFAOYSA-N	424.932	4.527	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3cccs3)cc2)CCC1	1786949267	NCKZCISNILZMKU-SFHVURJKSA-N	404.963	4.832	50	20	HJGD	
CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccccc1	1787646920	SKGPINCNFWWJQM-OALUTQOASA-N	402.897	4.849	50	20	HJGD	
Cc1ccc([C@@H](C)C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)cc1	1791345871	XQJFJVCFOXVPIW-BEFAXECRSA-N	402.897	4.767	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccccc4o3)CC2)C1	1806160463	XRJMJBSYUSXZFH-GOSISDBHSA-N	416.949	4.685	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)cccc2Cl)n[nH]1	1821144655	OIIPJIXQISFSHZ-BBRMVZONSA-N	423.344	4.695	50	20	HJGD	
Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)c1F	1823900563	LLJFEXGNJKJPQT-IBGZPJMESA-N	422.972	4.632	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)c1C	24160301	FIJGCIUDCMHQTG-OVIGCCJXSA-N	422.525	4.651	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1C	301218598	QVFSMAATJSCDPC-UNOMPAQXSA-N	401.457	4.682	50	20	HJGD	
O=C(NN=Cc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1Cl	728782369	MFSLKWPJACFPKS-UHFFFAOYSA-N	421.600	4.765	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc1	732175937	DGQAAYQRRGJBNI-LUJRCDHRSA-N	402.416	4.758	50	20	HJGD	
O=C(CCCC1CCCCC1)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	734259868	DKJWEUCMNYNLOJ-UHFFFAOYSA-N	407.440	4.751	50	20	HJGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)Nc2ccc(Br)cc2Cl)cc1	741769627	CINAJJAIMOHFEQ-LLVKDONJSA-N	421.682	4.549	50	20	HJGD	
CC(=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1c(Cl)nc2sccn12	741837435	JZDHAYRCKBEZDP-ZDUSSCGKSA-N	412.902	4.510	50	20	HJGD	
O=C(NCC1(c2cccc(F)c2)CC1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743625858	PQNACNDZFGFCRC-UHFFFAOYSA-N	418.472	4.560	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNc1ccc(C(F)(F)F)cc1	747608895	CUOPXLRLUUUTGC-UHFFFAOYSA-N	422.838	4.977	50	20	HJGD	
COC(=O)Nc1cc(C(=O)NNc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1	748018085	HNNYPWYUHAEFQZ-UHFFFAOYSA-N	422.190	4.947	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1cccc([N+](=O)[O-])c1C	748682826	KDAZUAIAJOLGQN-UHFFFAOYSA-N	402.863	4.745	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cc(NCc2ccccc2)nc2ccccc12	750236343	PYTCIRVQIMVZJB-UHFFFAOYSA-N	419.488	4.574	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)C(=O)Nc1ccccc1C(F)(F)F	755698530	HLOJBDIZRBGCGI-XFXZXTDPSA-N	400.335	4.780	50	20	HJGD	
N#C/C(=C/c1ccc(OCCBr)c(Cl)c1)C(=O)Nc1ccccc1F	763104916	AUYSIUFQSXHVSH-LCYFTJDESA-N	423.669	4.798	50	20	HJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)Nc3nc4ccccc4nc3Cl)cc2c1	763278111	VUAJPMZBAJYNRK-RAXLEYEMSA-N	404.813	4.584	50	20	HJGD	
O=C1OCc2c1cccc2S(=O)(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	766568860	ALTDFIKKOAZVNR-UHFFFAOYSA-N	415.361	4.815	50	20	HJGD	
CC[C@@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccncc1	773327990	SWYWCRTUXPWGTC-CQSZACIVSA-N	409.380	4.945	50	20	HJGD	
CN(CCC1CCOCC1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773400637	ZRXPYHQUBXTAPQ-UHFFFAOYSA-N	416.412	4.558	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1	774016195	WBEAZCAXOFFJIJ-UHFFFAOYSA-N	417.937	4.959	50	20	HJGD	
N#C/C(=C/c1cccc(Br)c1OC(F)F)C(=O)Nc1ccccc1F	776726387	XAWQJGSNYSTAFW-FLIBITNWSA-N	411.177	4.735	50	20	HJGD	
COc1ccc(C2(C(=O)NNc3ccc(C(F)(F)F)cc3)CCCC2)cc1OC	777417963	BWBBBMOPCMLYJH-UHFFFAOYSA-N	408.420	4.678	50	20	HJGD	
CCOc1ccc(-c2nc(CC(=O)NNc3nc4ccccc4cc3C)cs2)cc1	777479310	HLGIOPPQGCHJIA-UHFFFAOYSA-N	418.522	4.751	50	20	HJGD	
CN(C[C@@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782984848	UYGLZMZNXNOSLX-SMDDNHRTSA-N	409.442	4.516	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)c(C)c1	783369198	LNUAONASYSDVKW-UHFFFAOYSA-N	410.543	4.601	50	20	HJGD	
Cc1nnc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1	783518172	MNBWWUVSQSDKEE-CXUHLZMHSA-N	412.902	4.558	50	20	HJGD	
COC(=O)c1cc2c(/C=C(/C#N)C(=O)c3ccc(Cl)s3)ccc(OC)c2o1	783687987	SCIVJKIUUKFXSK-XFFZJAGNSA-N	401.827	4.733	50	20	HJGD	
CN(C)c1ccccc1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	786846827	KHJUJKHTUWISLN-UHFFFAOYSA-N	416.437	4.889	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCCSc2ccccc2)c1C	790090866	PUIQNSZHHUJSEG-SBGXLDQMSA-N	411.571	4.518	50	20	HJGD	
COc1cc(NNC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)ccc1Cl	790170728	NLDIUNTZGXHUMA-UHFFFAOYSA-N	406.269	4.558	50	20	HJGD	
C[C@@]1(C(=O)O)CCCC[C@H]1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790620533	QWOHFEGKFJXJSK-TZMCWYRMSA-N	423.425	4.656	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(F)c(F)cc1C(=O)c1ccccc1	793704045	BSNMHGQDYPDHRJ-UHFFFAOYSA-N	420.337	4.972	50	20	HJGD	
O=C(/C=C\SCc1ccco1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211165	HFWDJEYJQSBGKO-NTMALXAHSA-N	420.416	4.646	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1sc2ccccc2c1Br	810497242	PXQLNZVZUJALMD-UHFFFAOYSA-N	422.251	4.896	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)o1	814669265	OIFGGUKGADAUOY-UHFFFAOYSA-N	404.348	4.705	50	20	HJGD	
CCc1sc(C(=O)NNc2ccc(F)cc2Br)cc1Br	815851411	FHZLDVRHYOVNJD-UHFFFAOYSA-N	422.117	4.732	50	20	HJGD	
C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)CCCC[C@@H]2CCSS2)C1=O	818638689	GNASIPBORVCMDL-LZQZEXGQSA-N	424.607	4.708	50	20	HJGD	
COc1ccc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cc1OC	857441415	PLSWGSSRHGSHJA-HMAPJEAMSA-N	423.557	4.734	50	20	HJGD	
CC(C)n1ncc2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c(Cl)nc21	873865164	CRFJAOJAGQLMDY-QPEQYQDCSA-N	400.269	4.865	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c1OC(F)F	915863574	AWZDWBUTBKTKCR-WQLSENKSSA-N	407.442	4.596	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccco3)cs2)c1C	916057677	SUDFKAQBBAKACZ-DUPVFGOHSA-N	410.499	4.575	50	20	HJGD	
CC(=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1nc(C)sc1C	916273006	MUEYNLWDVARQAV-UHFFFAOYSA-N	409.540	4.623	50	20	HJGD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	916380132	DLPLLAGGDDQOCQ-SECBINFHSA-N	415.708	4.993	50	20	HJGD	
CCC[C@H](NC(=O)NNC(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1	1251519580	QBVMOEDQVVRAMV-INIZCTEOSA-N	413.827	4.844	50	20	HJGD	
CCCN(Cc1nc(O)c2sccc2n1)C(=O)CCCC[C@H]1CCSS1	1317779235	FWYPFPDTKTULHB-ZDUSSCGKSA-N	411.618	4.850	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1	1323998999	BOUKKAWJIUIJDN-OAHLLOKOSA-N	424.726	4.735	50	20	HJGD	
Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)[C@](C)(Cl)CCl)cc2)CCC1	1790492425	BKSARGWOGIMRIK-LJQANCHMSA-N	409.313	4.572	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cccc2ccoc12	1790953288	ZUHDVGXSMMYCTJ-SFHVURJKSA-N	400.837	4.715	50	20	HJGD	
CC(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)cc1	1827610984	KVEBDMKCLAKCSR-UXHICEINSA-N	408.945	4.578	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)CC1	1831505720	BTDQFDHIMINBHT-YUXAGFNASA-N	419.009	4.817	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	1195512	LHVBNSULXSRVGP-XDHOZWIPSA-N	400.438	4.856	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1C	24701493	KYBBYQSOFDNDKZ-LXGRAFHKSA-N	405.498	4.843	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OC(F)F	207926475	UYIVCUBITHAIOW-XFXZXTDPSA-N	412.314	4.861	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)n1	726524435	INNITRWKCNZMQJ-UHFFFAOYSA-N	422.872	4.829	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cc2c(ccc3ccccc32)[nH]1	732976673	JARLWVDWDKVJRY-UHFFFAOYSA-N	403.829	4.781	50	20	HJGD	
C[C@@H](NC1(CNC(=O)CCCC[C@@H]2CCSS2)CCOCC1)c1ccccc1	733288536	DCHAFEJEDKPWKE-UYAOXDASSA-N	422.660	4.717	50	20	HJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNc1ncccc1Cl	734247433	KLHCWTCZYLNIEG-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1sc2cc(C(F)(F)F)ccc2c1Cl	734261544	KYSDJPBXHHYKIU-UHFFFAOYSA-N	407.204	4.774	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1-n1cncn1	742429287	KNSXZACBXSBMKP-XSFVSMFZSA-N	421.460	4.914	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(Br)cc2Cl)cc1C(F)(F)F	746890508	ZJZSBLLXVFNGMQ-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)c1ccc(Cl)c(Cl)c1	746972500	KGSZYIZNVNEBNB-GOSISDBHSA-N	423.344	4.545	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccccc1C(=O)c1ccc(F)c(F)c1	747590919	MIGNXXJIEMLKBB-UHFFFAOYSA-N	420.337	4.972	50	20	HJGD	
CCOc1ccc(-c2nc(CC(=O)NNc3ccc(C(F)(F)F)cc3)cs2)cc1	747609196	PFBYMKJLMRHVOC-UHFFFAOYSA-N	421.444	4.913	50	20	HJGD	
Cc1c(NNC(=O)c2oc3ccccc3c2COc2ccccc2)cccc1[N+](=O)[O-]	748669982	AVAHJKXJBXTPCF-UHFFFAOYSA-N	417.421	4.985	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	748672891	PKPGXKFKZDCIBI-UHFFFAOYSA-N	421.482	4.731	50	20	HJGD	
CCCCCn1nc(C)cc1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	748761035	ZYLLGRKSMDLSKF-ZPWPBLDLSA-N	423.561	4.525	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1	751513270	PFSNFUFNGUVPQT-MDWZMJQESA-N	411.508	4.783	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	751798490	XIEFTTOAIQXTST-AQTBWJFISA-N	403.482	4.996	50	20	HJGD	
COC(=O)N1CCC[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752972183	GXVJLIBBLGEOOR-NSHDSACASA-N	403.373	4.696	50	20	HJGD	
O=C(NNc1nc(O)c2ccccc2n1)c1sc2cc(Cl)ccc2c1Cl	758295378	AAMAMHXDCAJNMH-UHFFFAOYSA-N	405.266	4.614	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(Br)cc2cccnc12	759657444	KFAVTJUKRNTOIZ-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)cc(C#N)n1C	765667720	UBYMRAXKTHIZIU-KCDOPAPYSA-N	424.504	4.569	50	20	HJGD	
Cc1nc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)ccc1[N+](=O)[O-]	766048947	PAQXBASQELVAIE-UHFFFAOYSA-N	419.353	4.756	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(Oc3ccccc3)nn2)c1C	766073927	SJZABAKQDNHSRG-ZHZULCJRSA-N	416.481	4.748	50	20	HJGD	
O=C(NNC(=O)C1CCC(C(F)(F)F)CC1)c1ccc(-c2ccc(F)cc2)s1	767453683	GPMWABWKSPIBDS-UHFFFAOYSA-N	414.424	4.684	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2Br)c(C)cc1Br	768481355	LKQUQYIBERUUOF-UHFFFAOYSA-N	416.088	4.724	50	20	HJGD	
COc1ccccc1NCC(=O)NN=Cc1c(Cl)cccc1Oc1ccccc1	769568109	YHHRMZWQSDDQHO-UHFFFAOYSA-N	409.873	4.703	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NNc1c(F)cccc1Cl	770197638	YFLUPSZFXPZPJB-UHFFFAOYSA-N	411.239	4.582	50	20	HJGD	
Cc1[nH]nc(NC(=O)CCCC[C@H]2CCSS2)c1-c1ccc2c(c1)OCCO2	772484434	PJRMJTDIACGXPB-HNNXBMFYSA-N	419.572	4.809	50	20	HJGD	
CC(C)(C)Cc1nc(-c2cccc(C(=O)NNc3ncc(Cl)cc3Cl)c2)no1	775273169	SEQSXZQIRNDTSP-UHFFFAOYSA-N	420.300	4.784	50	20	HJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1	776701864	FIHPVGRYKQQRRC-UHFFFAOYSA-N	407.539	4.515	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1cc(Br)cc(Br)c1	777465354	JVPKKNBDJSVWCE-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
CC(C)[C@@H](O)C(C)(C)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778017128	MREJFBKDJZFUDN-CYBMUJFWSA-N	411.458	4.665	50	20	HJGD	
CC[C@@]1(CO)CCCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	779393480	UNYCVSNQHOOVMD-GOEBONIOSA-N	410.889	4.922	50	20	HJGD	
CN(C)c1ncccc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	783601040	MJRCWCYSSQJLPZ-UHFFFAOYSA-N	403.398	4.606	50	20	HJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)c(F)c1)C(=O)NCc1cccc(Cl)c1	786056696	QOHBHVDKANSYQZ-MKMNVTDBSA-N	412.770	4.644	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccc(C)cc2C)c1C	790288025	QSODKPDFTNQGQH-DEYGKZMTSA-N	407.558	4.585	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccn2)C2CC2)c1C	790896904	JSTLNIXCXUNBBJ-JCMHNJIXSA-N	410.521	4.896	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(F)c(Br)cc1Cl	798533330	OXQFLQYOHWDSQY-UHFFFAOYSA-N	409.086	4.546	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cn(-c2ccc(Br)cc2)nc1C	799756093	REOMDHVVBCXEKY-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	799758407	KOBMKGHTWKRIIB-JOCHJYFZSA-N	400.478	4.769	50	20	HJGD	
CO[C@@H](C)c1nsc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	800990959	AEJNCZDQOSIKQY-VUVCFOEZSA-N	413.547	4.715	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1ccc(Cl)c(F)c1	801504758	FVDIZKZXVHEXIB-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	801981775	BRGDXZDATRSGTP-UHFFFAOYSA-N	403.269	4.763	50	20	HJGD	
CC(C)(C)c1nc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cs1	804209919	BPKCPQPIJCLAID-UHFFFAOYSA-N	421.448	4.673	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)n1	806785363	KBJMPKXJEQQASC-UHFFFAOYSA-N	423.329	4.596	50	20	HJGD	
COCCOCc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)cc1	809156486	CAWPXIHEENWZPM-YBEGLDIGSA-N	417.259	4.584	50	20	HJGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	814714271	ZJOSZSAYIMXTFE-ZBFHGGJFSA-N	419.456	4.648	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccccc1C(=O)c1ccc(F)cc1	888410312	KHLIMBZHLUIKGJ-UHFFFAOYSA-N	402.347	4.832	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)Cc2ccccc2Cl)c1C	915631177	ROVHEAUWYNUQNB-BNVOEYCWSA-N	413.949	4.620	50	20	HJGD	
CCOC(=O)Nc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	915688712	ZRDBEXIHMGERME-UHFFFAOYSA-N	404.470	4.998	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(C)c1	916358165	GZPXWINQRBFZGI-UHFFFAOYSA-N	423.520	4.718	50	20	HJGD	
Cc1ccc(C(=O)Nc2cccc(CNC(=O)NNc3ccccc3Cl)c2)cc1	918099318	TYNMTOQCEXHEFW-UHFFFAOYSA-N	408.889	4.727	50	20	HJGD	
N#Cc1ccccc1COc1ccc(C(=O)NNc2ccc(Br)cc2)cc1	918319897	IDRBFVRUCWMFCE-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)c1C	920876337	HYFZATJRBUZCAP-CCULFSDZSA-N	407.489	4.877	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1csc(-c2ccc(Cl)cc2Cl)n1	921165706	WVHNUJXOQUKLGD-UHFFFAOYSA-N	409.254	4.782	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(C#N)c3)CCC2)cc1	1790490024	PVZJLRXMEKGBOB-HXUWFJFHSA-N	409.917	4.632	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cccc3c1oc1ccccc13)C2	1841670271	PMRWBMGLJPDBIC-IBGZPJMESA-N	424.928	4.811	50	20	HJGD	
N#C/C(=C/c1ccccc1OCc1ccccc1)c1nc(N)nc(Nc2ccccc2)n1	209652456	WWLFEPSWSFZQEP-HKWRFOASSA-N	420.476	4.841	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(OCC3CCCCC3)cc2)cc(C#N)n1C	216445833	XWMPHGRJKPORES-NDENLUEZSA-N	402.498	4.710	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1ccc(Cl)cc1	263630121	IFWFDVPCTVAIFJ-UHFFFAOYSA-N	421.715	4.964	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NNc1nc(-c2ccc(Cl)cc2)no1	303499535	MDTAZSFRUCMUFY-UHFFFAOYSA-N	420.856	4.579	50	20	HJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])c2)cc1	728517089	VWBMMSUGXQVMFQ-UHFFFAOYSA-N	408.801	4.669	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@H](c1ccc(F)cc1)C1CCC1	729229807	POTGZRZQNRBCSV-KRWDZBQOSA-N	410.276	4.618	50	20	HJGD	
Cc1nc(CCC(=O)NN(C)c2ccccc2)oc1-c1ccc(Br)cc1	730274079	BTQWSLOIFPNDBO-UHFFFAOYSA-N	414.303	4.513	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)c(Cl)c1OC	730436339	IDCJNJHVLXOXMX-JXMROGBWSA-N	412.692	4.971	50	20	HJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(OCc3occc3C(=O)O)cc2)c1	730949051	QJFIPEICICANTK-UNOMPAQXSA-N	401.418	4.964	50	20	HJGD	
Cc1c([C@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C(C)C)oc2ccccc12	732705088	PJVCJWSOGBIBFU-OAQYLSRUSA-N	416.481	4.631	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cccc(-n2nccc2-c2ccccc2)c1	734247239	ZMBCPLQARJCQQD-UHFFFAOYSA-N	411.490	4.906	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccn(C(C)C)n2)c(C)n1-c1ccc(Cl)cc1	737956717	JDXRLRDPLJGAEM-UNOMPAQXSA-N	421.932	4.748	50	20	HJGD	
CCc1cc(NNC(=O)[C@@H](C)c2c(Cl)cccc2Cl)nc(-c2ccccn2)n1	738531777	MHTIGFXTVCIDSZ-LBPRGKRZSA-N	416.312	4.655	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@](C)(O)c2ccsc2)c(C)n1C1CCCCC1	740937996	JRVPQLDKLGPNDO-UQQMVDRBSA-N	411.571	4.603	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1	741467780	QKSRAELEXLAUTP-ATVHPVEESA-N	400.400	4.822	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1	742349916	MDRVNJYHEHRJQV-NMWGTECJSA-N	423.516	4.618	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(CC)cc3)o2)cc1	743300687	JDMBFSACPGVZQS-UHFFFAOYSA-N	409.511	4.539	50	20	HJGD	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NNc3ccc(Cl)c(F)c3)c12	746699508	CPVQCYOMQREMEZ-UHFFFAOYSA-N	415.900	4.922	50	20	HJGD	
Cc1ccc(C(=O)NNc2cccc(Br)c2)cc1NC(=O)OC(C)(C)C	748030064	IZUBEWFFYKEGBV-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)NNc1ccc(Br)c(C)c1	748601408	CEQAQBKLKUCOGT-UHFFFAOYSA-N	423.380	4.632	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CCc2ccccc2)cc1	749743992	BSMZLJZBQOLWFL-UHFFFAOYSA-N	424.504	4.631	50	20	HJGD	
N#CCc1ccc(Oc2ccc(C(=O)NNc3ccc(C#N)c(Cl)c3)cc2)cc1	753297666	KRYFHXMZOYIQPX-UHFFFAOYSA-N	402.841	4.827	50	20	HJGD	
Cc1nc(CC(=O)NN=Cc2nc(-c3cc(Cl)ccc3Cl)cs2)cs1	755542410	POLFDSDOEAIPLT-UHFFFAOYSA-N	411.339	4.575	50	20	HJGD	
Cc1c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)cnn1C	757188630	FVGQEBQGRSIMNA-BKUYFWCQSA-N	409.493	4.835	50	20	HJGD	
Cc1nc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)no1	759514775	ITSMYYIMIIGSSC-XGHPXPSOSA-N	410.861	4.650	50	20	HJGD	
O=C(NNc1ncc(F)cn1)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	760907874	FNERWTDCUQHPPH-UHFFFAOYSA-N	423.300	4.972	50	20	HJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC)c(O)c2Br)c1C	761014474	GCMPQBUTKMPXSF-GDNBJRDFSA-N	417.303	4.782	50	20	HJGD	
CCn1c(S)nnc1CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762965780	KOMZCGPNNQPVST-UHFFFAOYSA-N	403.402	4.566	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@@H](c1cccc(F)c1)c1ccccn1	766289325	LJISIAVNEDJROS-SFHVURJKSA-N	404.367	4.655	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccc(COc2ccc3ccccc3c2)o1	766671079	AEPGJXTYIKSIFH-UHFFFAOYSA-N	416.462	4.773	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccc([N+](=O)[O-])cc3)c3c(C)noc3n2)c(C)s1	769679041	FJXKQEWWOZGBOA-UHFFFAOYSA-N	423.454	4.542	50	20	HJGD	
O=C(NNc1ccccc1)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1	769960394	ALUQIXVTELOMMP-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1cccc(Oc2ccccn2)c1	770040482	BBFYODKBUWRQEG-UHFFFAOYSA-N	417.238	4.924	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)cc1F	770041526	DHMUXJCMFYRELI-UHFFFAOYSA-N	407.361	4.546	50	20	HJGD	
CC(C)Oc1cc(Br)cc(C(=O)NNc2c(F)cccc2Cl)c1	770202192	MSXONUBFSKYHKK-UHFFFAOYSA-N	401.663	4.786	50	20	HJGD	
COc1ccccc1NC(=O)c1ccc(NC(=O)NNc2c(C)cccc2F)cc1	771097837	IQQBDISLWOYEDG-UHFFFAOYSA-N	408.433	4.544	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1coc(-c2ccccc2Cl)n1	771675481	UBUGJYMQXLLVDN-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(Oc3ccncc3C)CC2)c1C	772806765	FVRJAGVXHRTFQF-PXLXIMEGSA-N	420.557	4.585	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCOCC2)c(F)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773145720	UCZJMBWJRYCVAN-OQLLNIDSSA-N	422.353	4.610	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	777482629	NYYUTKBXLQNKJM-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
C[C@H](Cc1ccncc1)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777988929	PPXYIVKSOSRJNC-LLVKDONJSA-N	402.410	4.649	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	781357251	HDUWBUCDCRAEQE-UHFFFAOYSA-N	419.243	4.537	50	20	HJGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)ccc1Br	783920854	DTQDWPPTWHBICW-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1nnc(-c2cc3ccccc3o2)s1	787466649	LAPYJUQMSIHTIY-UHFFFAOYSA-N	408.468	4.710	50	20	HJGD	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NNc1nnc(-c2ccccn2)s1	788563438	CWBSWHNGPJOUIV-LUAWRHEFSA-N	423.498	4.624	50	20	HJGD	
CCc1c(C(=O)NNc2ccccc2OC(F)(F)F)cnn1-c1ccccc1Cl	790929444	XDCGMRVFWZVBPE-UHFFFAOYSA-N	424.810	4.744	50	20	HJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1ccccc1[N+](=O)[O-]	797787000	WJNBQHLJJMSSRM-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)[C@@H]1CCCC(F)(F)C1	800487580	FPJMRFPAEVAIGI-MRVPVSSYSA-N	401.173	4.737	50	20	HJGD	
CC(C)[C@H](NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1nncn1C	806184329	ZECUCXLEUYETRA-JSGCOSHPSA-N	421.876	4.553	50	20	HJGD	
COCCOCc1ccc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1	809147879	WFEWOGRQQFAMFY-ODLFYWEKSA-N	420.431	4.620	50	20	HJGD	
CCCN(CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	810496055	NSJCYQZDGQUIKI-LBPRGKRZSA-N	417.444	4.519	50	20	HJGD	
ClCCCOc1ccc(CNCc2ccc(N3CCc4ccccc4C3)nc2)cc1	811485998	CIDLYNHQYHQZSE-UHFFFAOYSA-N	421.972	4.942	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1	813048288	RQCTZQIUVGCVAJ-UHFFFAOYSA-N	408.527	4.687	50	20	HJGD	
COc1cc(C(=O)N(C)CC(Cl)Cl)ccc1OCc1ccccc1Cl	816628827	LMFFMRRRQUGKRO-UHFFFAOYSA-N	402.705	4.803	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-n1cccn1	817013522	PXEPITMBSCMGOH-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3coc(C)n3)cc2)c1C	913136006	BIOZZZLBXXGRJL-XYHOIZSOSA-N	418.497	4.821	50	20	HJGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(-c2ccccc2Br)s1	917553158	XNGAQNMYCAZIBR-UHFFFAOYSA-N	405.239	4.970	50	20	HJGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1	918713497	MFYXVIUPDVBGKY-ACAGNQJTSA-N	413.264	4.938	50	20	HJGD	
O=P(CCN(Cc1ccccc1)C[C@H]1CCCO1)(c1ccccc1)c1ccccc1	919674672	DVGFQFMFAHYODE-XMMPIXPASA-N	419.505	4.682	50	20	HJGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNC(=S)Nc1ccc2ccccc2c1	921271685	FKFNEHGAXWINQN-UHFFFAOYSA-N	418.444	4.559	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)c1ccccc1C	1320277072	VYOZVLYJEVYXEN-ATVHPVEESA-N	414.299	4.963	50	20	HJGD	
Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)[C@@H](F)Cl)cc4)CCC3)c2[nH]1	1788585009	OOEHTVXONSOWSO-LJQANCHMSA-N	413.880	4.758	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cc(F)cc(Cl)c1	1788588406	PBQHKENOYYYIPW-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3ccoc3)cc2)CCC1	1791954098	XHCCRUWEICPJPG-LJQANCHMSA-N	402.922	4.754	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)[nH]n1	1814699665	WBBHHVQLKZIMNF-INIZCTEOSA-N	408.974	4.637	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2C)[nH]n1	1820851108	PVRGGWVPCDPSSF-WMLDXEAASA-N	423.344	4.695	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1C	6148860	GHNWCPVYLIDVDT-LPYMAVHISA-N	415.493	4.757	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cs2)cc1	141383220	LFPXIOBPWYKCLA-LFIBNONCSA-N	405.479	4.585	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccnc1	207835060	CVAQKPCSMMRBID-ZWKWCDFRSA-N	411.509	4.536	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)c1	207838689	IJINQODLHLBCBY-HMAPJEAMSA-N	419.488	4.848	50	20	HJGD	
CCCOc1c(Cl)cc(C=NNC(=O)c2cccc(OC(F)F)c2)cc1OC	728434323	WNUDFOMZTNKONQ-UHFFFAOYSA-N	412.820	4.503	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3cccc(F)c3F)cc2)cc1	730722315	PYBGCPHCBHLIOJ-UHFFFAOYSA-N	410.420	4.706	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3cccc(C)c3C)cc2)n1	731149010	FELURTVFYYGUTA-UHFFFAOYSA-N	404.539	4.766	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cs1)C1CC1	734305862	GSQMZJBGAONGRM-NYYWCZLTSA-N	421.309	4.511	50	20	HJGD	
C[C@H](CNC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(C)(C)C	734674199	LCLQEPREFSNHQR-MRXNPFEDSA-N	404.514	4.528	50	20	HJGD	
CCOCc1cc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1OC	747610325	BWDFGFKAPYRVIW-UHFFFAOYSA-N	412.486	4.863	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	748221548	ZXGLATAEXJVTMU-UHFFFAOYSA-N	419.384	4.920	50	20	HJGD	
Cc1c(NNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cccc1[N+](=O)[O-]	748694051	RLMXFLLKRBBDNK-UHFFFAOYSA-N	422.828	4.978	50	20	HJGD	
O=C(CC1CCCC1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	749449745	KDADSJYWTKVZAF-UHFFFAOYSA-N	420.263	4.648	50	20	HJGD	
CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	750044748	JQALSUIXKIWRJP-JJFYIABZSA-N	405.433	4.553	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)CCCc2ccccc2)cc1	755757478	VZWWCTPJFHKLEL-HSZRJFAPSA-N	412.493	4.518	50	20	HJGD	
O=C(NNC(=O)c1sc2ccccc2c1Cl)Nc1ccc2c(c1)C(=O)CCC2	756880770	KDYGAYZJXRNITK-UHFFFAOYSA-N	413.886	4.540	50	20	HJGD	
CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762981054	WEJVZLZMCUOLTK-AWEZNQCLSA-N	417.444	4.919	50	20	HJGD	
Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H](Br)C(C)(C)C	767026024	DRMKMHIFHBLRHZ-KRWDZBQOSA-N	419.367	4.728	50	20	HJGD	
C[C@@]1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCO[C@H]1C1CC1	767300709	MUTKYXFADHHWSA-GJZGRUSLSA-N	421.453	4.828	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc2sc(Nc3ccccc3)nc2s1	768246715	DFMPIMJPSBRIOE-UHFFFAOYSA-N	411.468	4.767	50	20	HJGD	
CC(=O)N1CCc2c(NC(=O)/C(C#N)=C\c3cc(C)n(CCC(C)C)c3C)cccc21	769502737	KYJLAYGZPNGXFV-STZFKDTASA-N	418.541	4.606	50	20	HJGD	
Cc1nc(-c2cccs2)sc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	769680298	UYTRPVJGWRQMNT-UHFFFAOYSA-N	412.323	4.562	50	20	HJGD	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1	769977709	SABXTEOIBISTNQ-UHFFFAOYSA-N	418.419	4.668	50	20	HJGD	
COCCOc1c(Cl)cccc1NC(=O)NNc1ccc(C(F)(F)F)cc1	775569755	SWUOYHMMYAYTRW-UHFFFAOYSA-N	403.788	4.533	50	20	HJGD	
Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NNc1ccc2ccccc2n1	777462203	DBEHPMZVYOVIKT-UHFFFAOYSA-N	420.856	4.799	50	20	HJGD	
CN(C)CCC1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	778057154	CQPMYZBCUDULNN-UHFFFAOYSA-N	422.485	4.696	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1sc2ccc(C#N)cc2c1C	794194935	UMGWZXNIEZNBTJ-UHFFFAOYSA-N	408.552	4.584	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cscc1Br	794878866	GBTMNHSNYULLSB-GFCCVEGCSA-N	403.301	4.581	50	20	HJGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)C(=O)c2ccc(Br)s2)c1	794941980	DSFCXCWTJXPKBM-YRNVUSSQSA-N	410.676	4.740	50	20	HJGD	
CCCN(N=Cc1ccc(OCc2cc(C)c(C(=O)O)o2)cc1)C(=O)OC(C)(C)C	794997618	BDVMRCIGCXEUQL-UHFFFAOYSA-N	416.474	4.846	50	20	HJGD	
Cc1nc(CC(=O)NN=Cc2ccc(-c3ccccc3Br)cc2)cs1	800807486	VKEJBMKYZAHWGY-UHFFFAOYSA-N	414.328	4.574	50	20	HJGD	
CC(C)(C)c1ccc(Oc2ccc(C(=O)NNc3nccnc3C3CCC3)cn2)cc1	805464483	YTQLZKVQFJZTNI-UHFFFAOYSA-N	417.513	4.986	50	20	HJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)Oc1ccc([N+](=O)[O-])cc1Br	805884843	ALCXUKWCMLABHX-GFCCVEGCSA-N	415.243	4.690	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1c(F)cc(C(F)(F)F)cc1F	810323236	BHZNGDAFMOTJDI-UHFFFAOYSA-N	417.403	4.738	50	20	HJGD	
C=CCC(C)(C)CNC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	815796519	ZLCPWCNJSTWFRG-OAHLLOKOSA-N	408.873	4.563	50	20	HJGD	
CC(C)(CC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	816013378	MXNQWOBEFSHYHI-UHFFFAOYSA-N	407.426	4.975	50	20	HJGD	
O=C(CCc1nc2ccccc2o1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015990	AMUHCNBTVQEVSV-UHFFFAOYSA-N	417.309	4.941	50	20	HJGD	
CCOc1ccc(N(CC)C(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)cc1	914520105	WMSHUVQAIXCXRH-SXZORUHJSA-N	409.530	4.671	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)c1ccc(OCCC(C)C)cc1	916285334	FYMFZHMFFDSISX-UHFFFAOYSA-N	418.541	4.737	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1	916614019	SOGCLGGACRYZPX-AINBPGBDSA-N	407.510	4.709	50	20	HJGD	
N#C/C(=C/c1cccc2c1OCCO2)C(=O)Nc1nc(-c2ccccc2Cl)cs1	917516775	FIGSBWKYDKHFSZ-UVTDQMKNSA-N	423.881	4.780	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(N3CCCC3=O)ccc2F)c1C	917797205	PGUAWFLSWZVKTO-UYRXBGFRSA-N	422.504	4.717	50	20	HJGD	
Cc1cc(C)c(C(=O)CCCC(=O)NNC(=S)Nc2cc(C)ccc2C)c(C)c1	918689144	PSKAPOLAUDFGTE-UHFFFAOYSA-N	411.571	4.600	50	20	HJGD	
CC[C@H](C)c1ccc(-c2cc(C(=O)NNC(=O)NC3CC3)c3ccccc3n2)cc1	920766496	JABHEJWTNDDUQT-HNNXBMFYSA-N	402.498	4.522	50	20	HJGD	
Cn1c(/C(C#N)=C\c2cc(Br)c3c(c2)OCCCO3)nc2ccccc21	921259453	SWFKNNYJMIHMCE-ZROIWOOFSA-N	410.271	4.561	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1ccc(Br)cc1)c1cccs1	932535293	VTYKIQRZWCNKGF-UHFFFAOYSA-N	416.300	4.520	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1ccc2cc(Br)ccc2c1	1324492994	BDDUTINOWNEXFF-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccc2occc2c1	1789049099	BBQQKFGZHIOBCR-SFHVURJKSA-N	400.837	4.715	50	20	HJGD	
Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCBr)CCC3)cc2)c1	1790281280	SQOFAMCPVSCAJP-UHFFFAOYSA-N	415.331	4.528	50	20	HJGD	
CCCCCc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](Cl)CC)cc1	1800074356	UZLZCRWKCUBELD-LRSLUSHPSA-N	419.009	4.617	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)CCc3ccccc3C)CC2)C1	1806162045	HUDHJNMDDMQVJA-OAQYLSRUSA-N	419.009	4.566	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc(C)c1OC(F)F	7001325	BXDCKVQJGKZJOZ-VGOFMYFVSA-N	401.438	4.884	50	20	HJGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	29518059	GMPTULMPTYKRDC-JTQLQIEISA-N	410.688	4.605	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1O	211588617	DVWVOMZVDZNKSP-ATVHPVEESA-N	416.433	4.747	50	20	HJGD	
CCCCC[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1OC)c1ccccc1	728136871	OUTMIDOIWXGIMS-GOSISDBHSA-N	403.910	4.614	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3occc3C(=O)O)cc2)cc1	730952506	XYVGVZDVTHPFPN-AQTBWJFISA-N	416.433	4.665	50	20	HJGD	
Cc1ccc(C[C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c(C)c1	731179504	JMLWMFVHPIMJOR-IYIZIDHUSA-N	419.569	4.555	50	20	HJGD	
CC(C)n1cc(C=NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)cn1	732710597	NPTBTVQZDZDFAH-UHFFFAOYSA-N	412.493	4.960	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)N(C)C1CCCCC1	732716292	NMLRQBBDXVWKNV-QINSGFPZSA-N	400.885	4.671	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1C	732944350	PMAPCHCJDYYEKA-BOPFTXTBSA-N	409.490	4.718	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@](C)(c3ccccc3)C2)c1C	733278523	PWGISJDSKKZOSU-DLKZCTAGSA-N	419.569	4.800	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c(C)n1CCC(C)C	739632023	UATKVLSPTKXYRK-JRXNCPAPSA-N	421.541	4.864	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c1C	741197424	PZFBUQYPMSYBKQ-DFOZZHOTSA-N	415.541	4.566	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3sc(C)nc3C)c2C)cc1	742088101	HMUZWBUBNCNCNG-JAIQZWGSSA-N	404.539	4.699	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1noc(-c2cccc(F)c2)n1	742240105	IVHYXUOMGVNWKM-UHFFFAOYSA-N	401.612	4.593	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCC[C@H](O)c2ccccc2)c(C)n1C1CCCCC1	742821652	OEQPKYRXVWYNJJ-KZVLXBEFSA-N	405.542	4.757	50	20	HJGD	
Cn1c(C(=O)NNc2ccc(Br)cc2)cc2cc(C(F)(F)F)ccc21	743299340	MIRYQTQNJQXKAY-UHFFFAOYSA-N	412.209	4.717	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1nc(-c2ccccc2)cs1	743598299	HFOHLPFZXGARLL-HNNXBMFYSA-N	416.506	4.669	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cnn1-c1ccccc1	746897292	VMXFIHVYYPBCLI-UHFFFAOYSA-N	413.403	4.643	50	20	HJGD	
N#Cc1ccc(NNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)cc1C(F)(F)F	746897303	UHKNRBYMCQESPN-CABCVRRESA-N	424.220	4.586	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1	747875484	SAWZFCHLFPBKKX-RKPNYOAGSA-N	409.829	4.610	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1	748669376	HKOBKVVQGJZLTP-UHFFFAOYSA-N	424.494	4.633	50	20	HJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ncc(-c2ccccc2)[nH]1	749445819	VQSYJPKJDQOHIC-UHFFFAOYSA-N	415.477	4.523	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1)c1cccc(Cl)c1	750305332	GUWBAAVMAHQEBY-SDNWHVSQSA-N	403.935	4.548	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(F)c(F)cc1Br	750530838	WYCPGGGZJVISKL-UHFFFAOYSA-N	412.621	4.686	50	20	HJGD	
CC[C@H](C)n1ncc2c(C(=O)NNc3cc(C(F)(F)F)ccc3F)cc(C)nc21	754153309	GXCKPLVQGZFHHQ-NSHDSACASA-N	409.387	4.626	50	20	HJGD	
CCCC(=O)Nc1cccc(NC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1C	756219948	POYMKQJDOVLEBL-UHFFFAOYSA-N	423.300	4.507	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(Oc2ccc(C)cn2)cc1)c1ccccc1	756561541	DTUBSTMKJOCXPK-HXUWFJFHSA-N	404.470	4.529	50	20	HJGD	
O=C(NNc1ncc(F)cn1)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	760914462	FOWCSYQKVJAOEY-MRXNPFEDSA-N	423.300	4.899	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](CCCO)c2ccccc2)c(C)n1CCC(C)C	761913500	JJGSIDDPBQAAFL-HDMRQQGGSA-N	407.558	4.688	50	20	HJGD	
COc1cccc(C(=O)NCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762603422	CUCHWSVMOYNQBH-UHFFFAOYSA-N	410.364	4.721	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=CCCC3CCOCC3)cc2)cc1	764883488	AEYGNJRIFLEPPL-UHFFFAOYSA-N	410.514	4.587	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c2cccnc12	766261530	DBABVOWCXODYOQ-UHFFFAOYSA-N	423.687	4.585	50	20	HJGD	
Cc1ccccc1-n1nc(C)c2cc(C(=O)NNc3ccc(F)c(F)c3F)sc21	767944541	ZZRFQGTUQSVJQT-UHFFFAOYSA-N	416.428	4.878	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccccc1SC(F)(F)F	771679301	XDUYEQNSPJMYGE-UHFFFAOYSA-N	409.202	4.957	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccccc1COC(C)(C)C	773191367	IHFIYXPCLXYRAQ-UHFFFAOYSA-N	423.538	4.508	50	20	HJGD	
COc1cc(/C=C(/C(=O)NNc2cc(F)c(F)c(F)c2)c2ccccc2)ccc1O	773466586	IMENBJDFEIXVML-CXUHLZMHSA-N	414.383	4.502	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1C)c1ccccc1	775181487	PBVJUSYKBYOBPP-AEFFLSMTSA-N	407.436	4.513	50	20	HJGD	
N#Cc1ccc(CSc2nnc(NC(=O)NNc3cccc(Cl)c3)s2)cc1	775525359	KXRWGTCXTKSESB-UHFFFAOYSA-N	416.919	4.504	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc2nc(-c3ccccn3)oc2c1	777728144	GXCGUOHDZVBAJM-UHFFFAOYSA-N	402.439	4.648	50	20	HJGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)c1OC(F)F	777869083	GNQSBYYGMVPOQF-LCYFTJDESA-N	414.799	4.739	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1nccc2sccc12	778507245	YDZYHRGTYYEAKE-UHFFFAOYSA-N	402.451	4.763	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F	781368099	KQOGMHVYZZGDKG-CVEARBPZSA-N	407.523	4.653	50	20	HJGD	
O=C(NNc1nccc2sccc12)C(=O)Nc1ccccc1Sc1ccccc1	783435762	OYBLJFAFMSAIQW-UHFFFAOYSA-N	420.519	4.529	50	20	HJGD	
CCS(=O)(=O)/C(C#N)=C\c1cn(Cc2ccccc2Cl)nc1-c1ccccc1	786044405	LTCXSVBNRYWJAL-UNOMPAQXSA-N	411.914	4.551	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cccc(C(=O)O)c2Cl)c(C)n1CC(F)(F)F	787168843	KHKZVSPZIDAFTL-QPEQYQDCSA-N	410.779	4.809	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	787493881	MGTUAOAIPNDGLL-WDBUWWRISA-N	414.305	4.738	50	20	HJGD	
CCc1cccc(COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1	787555846	PENCFWUCCHYDIA-JCMHNJIXSA-N	410.477	4.677	50	20	HJGD	
COc1cc(NNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)ccc1Cl	790165479	BOKRVCLGDUMCQM-UHFFFAOYSA-N	415.276	4.990	50	20	HJGD	
Cc1cccnc1NNC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	790597214	XJKCNHNIGUHTBM-UHFFFAOYSA-N	408.314	4.893	50	20	HJGD	
C[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C[C@H](C2CC2)O1	791729431	NIJRGDCHNISYCS-YVLXSGLVSA-N	408.873	4.937	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC2CC2)cc1	797398438	NKEIWISZBTZQFF-LICLKQGHSA-N	409.873	4.633	50	20	HJGD	
O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(C2CCC2)c1	799099987	BEXZRKUTCRATRO-UHFFFAOYSA-N	421.522	4.512	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)NNc3c(C)cccc3C(C)C)cc2)nc1	813048258	QABKLVCQPWUNOT-UHFFFAOYSA-N	418.497	4.696	50	20	HJGD	
O=P(CCN1C[C@@H]2CCCCN2c2ccccc21)(c1ccccc1)c1ccccc1	815228121	PBXGXXOGXKYKRU-QFIPXVFZSA-N	416.505	4.880	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCOc1ccccc1-c1ccccc1	857545361	DSIJKQNTGMHSFS-UHFFFAOYSA-N	410.905	4.833	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc3c(c2)CCC(=O)N3)c(C)n1CCC(C)C	876588010	RPFVPQHZQXRHIP-UDWIEESQSA-N	405.498	4.548	50	20	HJGD	
N#C/C(C(=O)CSc1n[nH]c(CCC2CCCC2)n1)=C1\Nc2ccccc2S1	913611319	WBLYKDRDIIQLMQ-RGEXLXHISA-N	411.556	4.542	50	20	HJGD	
COc1ccccc1OCC(=O)NN=C(C)c1ccc2c(c1)Nc1ccccc1S2	916296540	UANCJWXGHVPPMZ-UHFFFAOYSA-N	419.506	4.823	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1	920023283	ZFVMFASVWJDLRZ-JHMRYYBSSA-N	408.464	4.563	50	20	HJGD	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1ccc(C(C)(C)C)nn1	1252623022	QSPOSXDHDWOIRC-LBPRGKRZSA-N	415.950	4.600	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1	1787660796	XLBAQLCBJZGKHS-MRXNPFEDSA-N	409.368	4.730	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(C)(C)c3ccccn3)cc2)CCC1	1791761793	HAHYZYZPGSZTTH-GOSISDBHSA-N	413.949	4.511	50	20	HJGD	
CC1(C)CCC(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](F)Cl)[nH]n2)CC1	1820975608	BXVRBLIZUIBXGQ-MAUKXSAKSA-N	412.937	4.543	50	20	HJGD	
CC1=CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)CC1	1828344537	RUJFVESJYBSAOI-PMACEKPBSA-N	409.014	4.618	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C(C)C)CCC2)CC1	1832488443	UQLGRRHLQAIKDO-UXHICEINSA-N	411.030	4.840	50	20	HJGD	
CC(C)Cc1ccc([C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C(C)C)cc1	9796144	ABQJHWWJEAVFLU-QFIPXVFZSA-N	406.530	4.708	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)n1	14510412	LGYUBAJRXBFGGR-UHFFFAOYSA-N	421.551	4.752	50	20	HJGD	
C[C@@H](CC(=O)NNc1c(Cl)cc(Cl)cc1Cl)NC(=O)C1CCCCC1	727290628	HVCRZKDILJRIQK-JTQLQIEISA-N	406.741	4.565	50	20	HJGD	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NNC(=O)c2c(Cl)cccc2Cl)c1	727792308	PCTXGQDJDAGQAP-ZDUSSCGKSA-N	409.313	4.654	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12	730767864	QEXDJUHVVGLSNK-VQTJNVASSA-N	410.926	4.536	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3occc3C(=O)O)cc2)c(C)c1	730951181	LDSFCGQWQJKTAT-PDGQHHTCSA-N	416.433	4.719	50	20	HJGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	734865120	MRZMUDPLVGHYAU-AWEZNQCLSA-N	415.419	4.503	50	20	HJGD	
CN(c1ccc(NC(=O)NNc2cnnc3ccccc23)cc1F)C1CCCCC1	735087299	IKFKHLXBWARDSU-UHFFFAOYSA-N	408.481	4.686	50	20	HJGD	
COC[C@@H]1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C1	739757797	VEJIMDWHQSWNRM-SPMKTWQFSA-N	413.521	4.649	50	20	HJGD	
C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NNC(=O)c1cccc(OC(F)F)c1	740911608	PIUMEQGHWMXEEP-HNNXBMFYSA-N	417.456	4.506	50	20	HJGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1c(F)cc(F)cc1Br	741981512	NKGIAJDBERVEMU-CQSZACIVSA-N	401.276	4.741	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NNc1ccc(Cl)c(F)c1	746701537	ZUOUSEFNBOROAM-UHFFFAOYSA-N	411.239	4.582	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	746710594	SAQOSVLJQJNRLM-UHFFFAOYSA-N	402.332	4.513	50	20	HJGD	
COc1cc(C=NNC(=O)c2cccc3cccnc23)ccc1OCc1ccccc1	747356758	WLKKOSDJESZQMZ-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
Cc1nn(C)c2ncc(/C=C(\C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc12	750892759	KJUDWIFIJIOUHG-LDADJPATSA-N	409.449	4.615	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1C	751637376	YLBDEZUYGNRDLB-LICLKQGHSA-N	422.441	4.605	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c(C)n1CCC(C)C	752493070	UPHRTYIUYBNBIZ-XDHOZWIPSA-N	424.520	4.538	50	20	HJGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cc(Cl)ccc1SC1CCCC1	755518743	XVEFFJVHKHSTGE-UHFFFAOYSA-N	424.975	4.535	50	20	HJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1Cl	755946320	ZRBYHQUGKCPCPS-IBGZPJMESA-N	410.905	4.728	50	20	HJGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)NNC(=O)c1ccc2ccccc2n1	756309171	GKJUIPOVBOLYCW-UHFFFAOYSA-N	408.527	4.900	50	20	HJGD	
CN(C)c1cc(C(=O)NN=C2CCC(c3cccc(C(F)(F)F)c3)CC2)ccn1	761814501	ARKPKEXSHKSQPZ-UHFFFAOYSA-N	404.436	4.610	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1	762528684	MZASWRNYFOBAQW-GFCCVEGCSA-N	421.391	4.726	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNc1c(Cl)cccc1Cl	763612556	JVXFJSDDVFJXFG-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)s1	764324493	ROMNWBPQOPXLIU-UHFFFAOYSA-N	421.448	4.673	50	20	HJGD	
O=C1CC[C@H]2CN(CCP(=O)(c3ccccc3)c3ccccc3)c3cccc1c32	767032524	NRQMTULPKZISLT-IBGZPJMESA-N	401.446	4.581	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	768011747	FGDMLORSLXHKHC-UHFFFAOYSA-N	406.248	4.552	50	20	HJGD	
N#C/C(=C/c1c[nH]nc1-c1c(F)cccc1F)C(=O)Nc1ccccc1C(F)(F)F	768491107	BGUTVPNXIYGXJY-FLIBITNWSA-N	418.325	4.919	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c1	768701397	RAOUKMLDSPXFLA-UHFFFAOYSA-N	415.840	4.686	50	20	HJGD	
COc1ccc(NC(=O)NNc2c(C)cccc2F)cc1NC(=O)OC(C)(C)C	771102549	BTEULXWUUAESFG-UHFFFAOYSA-N	404.442	4.638	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1	772832444	ZKXIFAJCZKWWII-UHFFFAOYSA-N	417.444	4.818	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1c(F)cccc1F)C(=O)c1ccc(OC(F)F)cc1	776266432	QZTDXPBLQSTGQU-XYOKQWHBSA-N	401.319	4.746	50	20	HJGD	
CCC1(O)CCC(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	778056548	ZFNJVBGIFGWSCN-UHFFFAOYSA-N	409.442	4.706	50	20	HJGD	
COc1cccc(NNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)n1	780773590	AYXBMIJSKAGMNR-UHFFFAOYSA-N	423.856	4.826	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CCN(C)C)c(C)n1CCC(C)C	782939275	ORCGWEZGNIHHKK-XQNSMLJCSA-N	406.574	4.801	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)cc1	792863244	SBRDFIIUGZNSCM-HSZRJFAPSA-N	418.698	4.895	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F	794949319	PGKWUKKSBAGRDI-UHFFFAOYSA-N	421.398	4.614	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c(-c2ccccc2)n1	794964866	JVOXWLXFCWIHPF-QNGOZBTKSA-N	403.445	4.802	50	20	HJGD	
CSc1cccc(F)c1CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	805758504	MPSVONQZPJHHAD-UHFFFAOYSA-N	424.501	4.751	50	20	HJGD	
CC(C)(C(=O)NNc1cccc(C#N)c1)c1csc(-c2c(F)cccc2Cl)n1	810679455	RPIFNLPWCDGXQT-UHFFFAOYSA-N	414.893	4.895	50	20	HJGD	
Cc1cccc(Br)c1C(=O)NNC(=S)Nc1ccccc1C(C)C	813545353	CQAHILQJWZVTPE-UHFFFAOYSA-N	406.349	4.512	50	20	HJGD	
CC(C)Oc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1	817015775	RIBKIGJHCDCQDA-UHFFFAOYSA-N	407.314	4.663	50	20	HJGD	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3C)o2)cc1	915843667	OQMFFEBWDUDWOY-CPNJWEJPSA-N	400.434	4.896	50	20	HJGD	
O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)NNc1cccc([N+](=O)[O-])c1	915891902	QLODWHZUDQRRGT-HXUWFJFHSA-N	415.453	4.534	50	20	HJGD	
CCOc1cc(C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc(Cl)c1O	916336679	MKUOZECTSXTSDT-CQSZACIVSA-N	412.873	4.515	50	20	HJGD	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cccc(OC)c1	916596763	IDDKQWUCRDPUGO-XGSMPBFLSA-N	406.482	4.686	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1	916605464	CNBZDVWKIVJJFA-DAQNXSASSA-N	406.482	4.604	50	20	HJGD	
CCN(C[C@@H]1CCOC1)C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	920748609	CINKGZMBYLBOMI-PQFHHTBUSA-N	411.933	4.540	50	20	HJGD	
CCCCNC(=O)NN=Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	920752699	OQCYCQPIXDYHEH-UHFFFAOYSA-N	407.301	4.679	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1	1321166853	GCQLYLQZELKSAQ-UHFFFAOYSA-N	402.813	4.552	50	20	HJGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2)cn1	1325017825	WLVGNTWNCVJMMB-MHWRWJLKSA-N	410.449	4.947	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)c(C)c1	1790254548	LFMOQTOPCMEBPX-UHFFFAOYSA-N	424.617	4.903	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3F)cc2)CCC1	1790334410	ZAJWPUYTTYWACR-QGZVFWFLSA-N	406.860	4.730	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cc2ccsc2[nH]1	1790877474	XKLYRYPBBJQGOP-UHFFFAOYSA-N	422.337	4.781	50	20	HJGD	
Cc1cc(F)cc(CC(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)c1	1791667277	HTBQKGOZELUSHM-UHFFFAOYSA-N	423.315	4.614	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(OC)c3)cc2)CCC1	1792103271	HZUSZIWRACLAHJ-QGZVFWFLSA-N	418.896	4.599	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1	1824871596	YARMMSSPEHYDTC-MRXNPFEDSA-N	424.935	4.604	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)n1	22234084	XYAVPFHEEJLFTF-HXUWFJFHSA-N	412.946	4.713	50	20	HJGD	
Cc1ccccc1-n1cnnc1S[C@H](C)C(=O)/C(C#N)=C1\Nc2ccccc2S1	23932307	OXNAWDDHBDDRPX-DUHXBFFASA-N	419.535	4.578	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1	211454697	OJNRWOGFSYBLRA-HMAPJEAMSA-N	419.488	4.848	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3ccc(O)c(OC)c3)n2)cc1	212103137	OETYXJKWLCTJAA-YVLHZVERSA-N	405.479	4.632	50	20	HJGD	
Cc1cc(C)c(NNC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c(C)c1	726270910	IJQQGNVANVPXQQ-HSZRJFAPSA-N	413.525	4.914	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cccc(C#N)c2)cc1	728784583	HTQZMWXXIQJKHS-UHFFFAOYSA-N	419.488	4.737	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2csc3ccccc23)c1C	729957989	AHKRVGMJTWBDSL-JJBLJPBOSA-N	407.539	4.750	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1nc(-c2ccccc2)oc1-c1ccccc1	731366356	MCPIUMBFRHUIOG-UHFFFAOYSA-N	423.432	4.816	50	20	HJGD	
CCc1ccc(C(=O)NN=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1	732766045	FLEMUNMOMVHMQB-UHFFFAOYSA-N	418.493	4.609	50	20	HJGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1	732828901	WHSJPTUWWJWQFF-HXUWFJFHSA-N	422.550	4.540	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)c1csc(-c2ccc(Cl)c(Cl)c2)n1	733810229	ZFUFMCPHOFMFKQ-UHFFFAOYSA-N	416.293	4.817	50	20	HJGD	
C[C@](O)(CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccco1	743084228	JUMDJTSZDFCWJL-HIFRSBDPSA-N	408.829	4.528	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c1C	744693013	UUNURHCGCDZOJS-CKMDTHJYSA-N	415.541	4.875	50	20	HJGD	
CC[C@H](NC(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccncc1	745836214	NUMXQBQCKBJBHV-ZDUSSCGKSA-N	417.229	4.640	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	754403773	HPZQZNYCXTXZDV-QZKOUSHUSA-N	420.884	4.985	50	20	HJGD	
O=C(NCc1ccn2ccnc2c1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	762210109	NEUNIWJJUBQANE-HNNXBMFYSA-N	414.840	4.875	50	20	HJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1	764276206	ANKOSEMUSUJFHZ-UHFFFAOYSA-N	405.189	4.981	50	20	HJGD	
CN(Cc1ccccc1NC(=O)NNc1ccccc1)C(=O)c1cc2ccccc2o1	770034331	MEVKYNWSCGCCSZ-UHFFFAOYSA-N	414.465	4.854	50	20	HJGD	
COc1ccc([C@@H](CN2CCCC2)NC(=O)CCCC[C@@H]2CCSS2)cc1	770537112	VXFUTNPKRHXQJX-WOJBJXKFSA-N	408.633	4.662	50	20	HJGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Nc1cc(C(F)F)ccc1Cl	770594411	YIMCWGVYKZKPMI-SECBINFHSA-N	418.227	4.551	50	20	HJGD	
Cc1c(C(=O)NNc2ccc3ccccc3n2)nnn1-c1ccc(-c2ccccc2)cc1	777466470	AMDQUITYKIAWAR-UHFFFAOYSA-N	420.476	4.548	50	20	HJGD	
O=C(NNc1ccccn1)c1cn(CCOc2ccccc2Cl)c2ccccc12	777472875	GHUJLZXMXRPASG-UHFFFAOYSA-N	406.873	4.526	50	20	HJGD	
Cc1noc(C)c1CN(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777874414	IQNCUWXERVJGML-UHFFFAOYSA-N	406.398	4.770	50	20	HJGD	
COc1ccc2nc(NNC(=O)Cc3csc(-c4cccc(C)c4)n3)c(C)cc2c1	778481134	WWUCAGYFXRPIHB-UHFFFAOYSA-N	418.522	4.670	50	20	HJGD	
CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)CCCCCl)nc1-c1ccccc1	780798736	SQNIJKIUGMVHIT-KRWDZBQOSA-N	410.967	4.951	50	20	HJGD	
CN(C)c1ncccc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783600979	IRUXUVUMOCUBCM-UHFFFAOYSA-N	403.398	4.606	50	20	HJGD	
C/C(C=NNC(=O)c1ccc(COc2ccccc2)o1)=C/c1cccc([N+](=O)[O-])c1	787153634	WNXNZMBIWVBFKG-PCOQQZPASA-N	405.410	4.586	50	20	HJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)ccc1OC	787153876	GTMJQZFEHDPWGZ-WLNXHHGHSA-N	408.498	4.665	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cnc(-c3ccc(Cl)cc3)s2)cc1	789127418	JYPMYRRCJOJEMM-SFQUDFHCSA-N	423.925	4.738	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(-c2cccs2)c1	792435906	XCNPFOSAYBJSMK-UHFFFAOYSA-N	406.294	4.804	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	794781144	FZWHAUABYBPXML-UHFFFAOYSA-N	406.294	4.889	50	20	HJGD	
C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	796381648	XBHPZRBMJHWXSH-SIKLNZKXSA-N	404.671	4.503	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	801647725	NOYCHWYQEDCGOS-ZROIWOOFSA-N	412.280	4.737	50	20	HJGD	
O=C(NNC(=O)c1ccccc1SCc1ccco1)Nc1ccc(Cl)cc1	802020691	DXYNSFXSOCWJHL-UHFFFAOYSA-N	401.875	4.692	50	20	HJGD	
O=C(NNc1ncccc1F)c1sc2cccc(F)c2c1COc1ccccc1	804211305	JYLRKKDHKDZDJK-UHFFFAOYSA-N	411.433	4.910	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCCc2nnc(-c3ccccc3)o2)c1C	806109533	LUDJHMNVTJMALS-RCCKNPSSSA-N	418.497	4.648	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCCC[C@H]3CCSS3)CC[C@@H]21	814150546	DFXYOSFWNFFOHU-IKGGRYGDSA-N	414.637	4.558	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)cc1	914610143	PGBBMUSPPQVTFW-JXAWBTAJSA-N	406.482	4.961	50	20	HJGD	
CC[C@H](C)c1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2O)c2cccs2)cc1	916205712	KWNSXYHYAGLAFZ-YCRPNKLZSA-N	423.538	4.701	50	20	HJGD	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cc(C)nn1-c1ccc(C)cc1	917142358	AWGWOFLBZPRJFO-BOPFTXTBSA-N	406.873	4.697	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCCc1ccc(F)c(Br)c1	918371822	PNDMJTWQSQEWMG-CYBMUJFWSA-N	406.386	4.961	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@H]1COc2ccccc2O1	918559840	SQIXLOIHUDQBRT-CZUORRHYSA-N	403.809	4.684	50	20	HJGD	
CC(=O)Nc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	918612561	MOUDLNHWQNSASS-CIAFOILYSA-N	406.530	4.964	50	20	HJGD	
Cc1nc(N2CCCCC2)sc1C=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	1317703628	LHZORRQFUVGFJE-UHFFFAOYSA-N	421.570	4.613	50	20	HJGD	
O=C(NNC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1ccccc1Cl	1337922506	XEIYQTKUFMRELR-IBGZPJMESA-N	415.276	4.575	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1OC(F)F)C1CCCCC1	1338943260	POYMKPDTIZNLFE-LCYFTJDESA-N	400.372	4.587	50	20	HJGD	
Cc1ccccc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Br)CCC2)cc1	1790253923	RMMCVQUEAPUYMY-OAHLLOKOSA-N	415.331	4.526	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(C)s3)CC2)C1	1806164480	YPOCDRBCLLYTDE-CSHXORCISA-N	423.022	4.708	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)[nH]n1	1820862598	ZMWZWGZWCNJLBH-VDZJLULYSA-N	416.953	4.613	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1	5243657	UBFBPHQFIPZYRI-GULXKOIASA-N	403.265	4.779	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)c1C	22032141	ABGAAJRNDDNEHU-LPYMAVHISA-N	421.541	4.919	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1C	26868832	CPFHJTHBGQIFME-CJLVFECKSA-N	418.541	4.687	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2csc(-c3ccsc3)n2)cc1	141405364	XVOIAVRBQZPGQT-OQLLNIDSSA-N	409.492	4.594	50	20	HJGD	
CC(C)[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1nc(-c2ccncc2)no1	727855037	YDAFYRLTENSXCT-DOTOQJQBSA-N	406.577	4.659	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2F)ccc1OC(=O)c1ccccc1F	732577120	LVRAGNPASIPHEW-VBKFSLOCSA-N	419.383	4.982	50	20	HJGD	
CCOc1ccc(SCC(=O)NNc2ccc(Br)cc2Cl)cc1	733808028	QTOCIBQYXUVMNB-UHFFFAOYSA-N	415.740	4.737	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@@H](C)CCC1CCCCC1	734519191	QABHCYUXHYYVHY-HNNXBMFYSA-N	414.575	4.812	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CN(C)C(=O)OC)cc2)c1C	735255701	RWNFDNCCVYUUKV-KGENOOAVSA-N	422.529	4.649	50	20	HJGD	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNc1ccc(Cl)nc1	743815945	CQCFMYVFCVIEGE-UHFFFAOYSA-N	421.309	4.768	50	20	HJGD	
Cc1ccc2c(CCC(=O)NNc3ccc(Br)cc3Cl)c[nH]c2c1	745994008	QQQQVVPHJQHVDI-UHFFFAOYSA-N	406.711	4.968	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNc1ccc(OC(F)F)cc1	748649194	KSMURJOARSCCOI-UHFFFAOYSA-N	420.847	4.560	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c[nH]nc1-c1ccccc1Cl	753173999	BAYRBTYWEXWFPB-UHFFFAOYSA-N	419.710	4.812	50	20	HJGD	
CCn1nccc1/C=C(/C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	753683060	LRDJVNBVFIAICI-XFFZJAGNSA-N	418.309	4.879	50	20	HJGD	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4cccnc4Cl)cc3)o2)c1	754483834	LMNZYFIYSWABLK-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)Nc1ccccc1COCc1ccccc1	755916278	HHPSULWGJQFCGA-UHFFFAOYSA-N	409.873	4.523	50	20	HJGD	
CCOCc1cccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)c1	756310694	RLYYKDABNOPYHF-UHFFFAOYSA-N	403.891	4.558	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1Cc2cccc(O)c2C1	759483708	RUTRRSRDRBVMCP-ZBEGNZNMSA-N	416.852	4.900	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)NC1CCN(C(=O)C2CC2)CC1	762965257	ADTPBHJDMCDNQZ-UHFFFAOYSA-N	413.412	4.867	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC(Cn2ccnn2)CC1	762980147	MVEIOYPJQSYNLS-UHFFFAOYSA-N	411.400	4.880	50	20	HJGD	
CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)[C@H](Br)C(C)(C)C	767932527	ACYKQEIROKFLDB-KRWDZBQOSA-N	411.315	4.681	50	20	HJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1	777809792	UXELLCDRBMPSPH-TYJAPOHBSA-N	406.490	4.505	50	20	HJGD	
C[C@@H](CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)CN1CCCCC1	777899567	SAZVKZJQWXHGTB-ZDUSSCGKSA-N	422.485	4.744	50	20	HJGD	
O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NNc1cc(Cl)ccn1	778448883	SKZGNWFCMSBFBY-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NNc1cc(Cl)ccc1Cl	782751848	HTCSBHZTYJCEPO-UHFFFAOYSA-N	417.318	4.862	50	20	HJGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c(Br)c1	789149521	ZHURKZCTZVIXQR-WDZFZDKYSA-N	410.676	4.740	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1Cl	790907545	ANOJTMCZUXCDPQ-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1	791209584	DOSXGZCJPQVLBH-VUHHOQONSA-N	412.445	4.525	50	20	HJGD	
C=C(CBr)CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1	791482937	OAZVXKNANMOKEG-UHFFFAOYSA-N	416.359	4.812	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNC(=S)Nc2cccc(C)c2C)c1C(C)C	792218698	RSSVGPBWFWZTRH-UHFFFAOYSA-N	421.570	4.552	50	20	HJGD	
COc1ccc(Cl)cc1NC(=S)NNC(=O)Nc1ccc(Cl)cc1Cl	792681358	ZTVOKLPCPUHYCA-UHFFFAOYSA-N	419.721	4.679	50	20	HJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(F)cc1Br	793708500	HCGNOPCBVIWTFK-UHFFFAOYSA-N	404.239	4.563	50	20	HJGD	
Cc1nc(SC(F)F)sc1CC(=O)NNc1c(Cl)cc(F)cc1Cl	793757325	XRZDLWCWYFRXSY-UHFFFAOYSA-N	416.277	4.898	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1[nH]ccc1-c1c(Cl)cccc1Cl	799713603	TWWWBBPKVIEQLI-UHFFFAOYSA-N	416.190	4.554	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c(-c2cnn(C)c2)c1	801647249	HBJXGLOJNFUMOI-MHWRWJLKSA-N	410.399	4.960	50	20	HJGD	
CC(C)Oc1ccc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1	804211554	UHAVTNPAJCOACB-UHFFFAOYSA-N	416.403	4.707	50	20	HJGD	
CC[C@H]1Oc2cc([C@H](C)NCc3ccc(OCCCCl)cc3)ccc2NC1=O	811487043	RJTCCIUJWWEFFI-MGPUTAFESA-N	402.922	4.655	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CC[C@@H](C)C3)s2)cc1	814874764	CYBHWSIJONVPGT-CYBMUJFWSA-N	406.602	4.523	50	20	HJGD	
Cc1cccc(CN(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1C	816788767	VPBRYJHQTPIMCY-HAHDFKILSA-N	423.520	4.646	50	20	HJGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016893	PAMKMFJREKBNJL-UHFFFAOYSA-N	407.270	4.698	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2cccc(Cl)c2)C(C)C)c1C	914502135	RSLYHQFXZSSOGG-BKUYFWCQSA-N	413.949	4.749	50	20	HJGD	
CCN(Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)C(C)=O	915168995	PNLHPHPABBMUQR-YDZHTSKRSA-N	420.557	4.675	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2csc(Br)c2)c1C	915182694	DFXTXAKOTZTTOD-PXNMLYILSA-N	406.349	4.562	50	20	HJGD	
O=C(Nc1ccccc1C(=O)N1CCCC1)NN(Cc1ccccc1)c1ccccc1	915328471	HZQVQDWQAWBMGI-UHFFFAOYSA-N	414.509	4.666	50	20	HJGD	
O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)NN(Cc1ccccc1)c1ccccc1	916686709	KSSPZPHPHLTRTP-DEOSSOPVSA-N	417.509	4.988	50	20	HJGD	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918558262	CEHUGMDNPWUTSW-OAHLLOKOSA-N	420.796	4.832	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(Cl)nc(Cl)n2-c2ccccc2)cc1	920065483	YPKTYQCVFCPJFV-QBFSEMIESA-N	413.264	4.733	50	20	HJGD	
Cc1coc(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1C	1345425962	DQHBFPLZXNHSTA-UHFFFAOYSA-N	405.366	4.673	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3cc4ncccc4[nH]3)CCC2)cc1	1786012517	GDWBAOAHHPPAML-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCc4ccoc4C3)cc2)CCC1	1786217806	JANLCZOTQQMRMN-LPHOPBHVSA-N	414.933	4.536	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cc(O)ccc3F)cc2)CCC1	1790642584	MJFBGAOHFXCYPC-UHFFFAOYSA-N	418.896	4.544	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4cn3)cc2)CCC1	1790832748	WEWBKWAPWRNTCX-QGZVFWFLSA-N	411.889	4.593	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)C(C)C)C2)CC1	1805624026	YGXMKUFVNSXHGS-LEWJYISDSA-N	419.009	4.675	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1	1822017436	VWKAWIZWMBJVFW-BCDMZGRMSA-N	420.985	4.636	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1(c2ccc(F)cc2)CCOCC1	57180029	KZLSVFYGDAPXMU-UHFFFAOYSA-N	417.695	4.977	50	20	HJGD	
O=C(NN=Cc1csc(-c2ccc(Cl)cc2)n1)c1cccc(OC(F)F)c1	728435097	VNJLSRPIHQGBMB-UHFFFAOYSA-N	407.829	4.829	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)CC(C)(C)C)c1C	728832381	BFZSVZJWXFFSCC-HAHDFKILSA-N	407.558	4.733	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2sc(C)nc2C)c1C	730202870	SFWIMOHZKDDVDM-UOOYZNIZSA-N	414.575	4.512	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1	730551994	IJEUNKNAGFKGBQ-CXDFQFJYSA-N	403.507	4.993	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2C#N)c1	731320076	UWMLYGKGDRWTTH-BKUYFWCQSA-N	409.445	4.692	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cn3c(C)cccc3n2)c(C)n1C1CCCCC1	731654380	SXQFJVRBZPHVOV-BKUYFWCQSA-N	415.541	4.790	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2cnnc3ccccc23)c(C)n1C1CCCCC1	733811173	FRRBLVPIZXURKN-UYRXBGFRSA-N	414.513	4.604	50	20	HJGD	
Cc1ccc(OCc2cccc(C(=O)NNc3ccccc3C(F)(F)F)c2)cn1	733908505	JAHFHVUWIRBHPP-UHFFFAOYSA-N	401.388	4.745	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ncccc2Cl)c(C)c1	734246080	QVCNMQHZFWDFKH-UHFFFAOYSA-N	417.900	4.961	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3nn(C(C)C)cc3c2)c1C	736117608	ZZWXIWHGSAPLLJ-NAGKPISUSA-N	419.529	4.789	50	20	HJGD	
Cn1c(C(=O)NNc2c(F)cc(F)cc2Br)ccc1-c1ccc(F)cc1	741979926	ADHUOKJHMVRIRS-UHFFFAOYSA-N	424.220	4.629	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Br)cc1	742430951	FJGBISZXXKZGHR-MDWZMJQESA-N	418.678	4.607	50	20	HJGD	
CCCCC[C@H](C)CC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	743335387	WRORTFGEMQSHNA-KRWDZBQOSA-N	403.548	4.537	50	20	HJGD	
O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)NNc1ccc(Cl)nc1	745272995	IFBUADPQRUHWSE-GOSISDBHSA-N	405.889	4.675	50	20	HJGD	
C[C@H](CCNC(=O)NNC(=O)CCCc1ccccc1)c1cccc(C(F)(F)F)c1	746423371	YZWUQXOSIZXJJH-MRXNPFEDSA-N	421.463	4.552	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)C(C)C)c(C)n1C[C@H]1CCCO1	747696793	AMJWZSPLKJXQML-DEMKTBQOSA-N	405.542	4.704	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccccc1OCc1ccc(F)cc1	748650556	MJFSLAIBDBCAJN-UHFFFAOYSA-N	402.372	4.763	50	20	HJGD	
Cc1c(NNC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cccc1[N+](=O)[O-]	748684506	CRTWNOIZSKPESF-UHFFFAOYSA-N	406.373	4.607	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	748811003	MDKCDDAWYHFECU-QWHCGFSZSA-N	403.429	4.907	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H](c1ccccc1)c1cccc(Cl)c1	749552840	CBTJTBUWFVNOAR-OAQYLSRUSA-N	419.868	4.820	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)ccc1NC(=O)OC(C)(C)C	753303894	VWWVVOXVAUSGTJ-UHFFFAOYSA-N	400.866	4.624	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2noc(-c3cccs3)n2)c1C	753604100	RVFDLQKPWHQSAV-GZTJUZNOSA-N	410.499	4.667	50	20	HJGD	
Cc1cccc(COc2cccc(CC(=O)NNc3nc(C(F)(F)F)cs3)c2)c1	755855004	QDEPJIYIAPPCKD-UHFFFAOYSA-N	421.444	4.735	50	20	HJGD	
COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	766572258	YBHZSRSFTBCQJT-UHFFFAOYSA-N	417.377	4.931	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(Br)cc3[N+](=O)[O-])n2)cc1	767717778	NRXNKJHQEBVQLE-RIYZIHGNSA-N	411.215	4.780	50	20	HJGD	
CC(C)C[C@H]1COCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773251032	IAZJYOSTPXJQPN-ZDUSSCGKSA-N	416.412	4.556	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3oc4ccccc4c3CSC)c(C)cc2c1	778476466	OMJQJOZLKMYPHB-UHFFFAOYSA-N	407.495	4.918	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(C(=O)Nc2ccccc2)cc1	779203680	GOCGKUIBLRBIRG-UHFFFAOYSA-N	415.371	4.594	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@H](c1cccc(F)c1)c1ccccn1	779654820	DVJYJYNCYFNBTL-GOSISDBHSA-N	420.366	4.535	50	20	HJGD	
C[C@@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]([C@@H](C)O)C1	785533003	JVBAPZGPGMIDHH-JTNHKYCSSA-N	409.442	4.514	50	20	HJGD	
O=C(COC(=O)CCCC[C@@H]1CCSS1)Nc1ccc(N2CCCCC2)cc1	786590000	JUFBYLJRAZDVQM-LJQANCHMSA-N	422.616	4.873	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)c(C)cc2OC(F)F)cc1	787151458	MVLUTBHRVRPNDT-LZNAANCOSA-N	400.425	4.698	50	20	HJGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)c1ccc([N+](=O)[O-])cc1Br	787185264	ZXDMSNZFBZQWPO-POHAHGRESA-N	407.607	4.773	50	20	HJGD	
CCn1ncc2c(C(=O)NNc3ccc(Cl)c(OC)c3)cc(-c3ccccc3)nc21	790178255	UUFZGVOXDIQXEY-UHFFFAOYSA-N	421.888	4.537	50	20	HJGD	
O=C(NNC(=O)c1cnc2c(F)cccc2c1)Nc1ccc(-c2ccccc2)cc1	794352835	DETKKOINDQJNNY-UHFFFAOYSA-N	400.413	4.507	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1C(F)(F)F)c1cc2c(s1)CCC2	794471344	QHUPSDZLRRHOGC-UHFFFAOYSA-N	417.250	4.782	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1-n1cncn1)C(=O)c1ccc(Br)s1	794943567	ZAHQULCPYDCLOU-WZUFQYTHSA-N	419.691	4.535	50	20	HJGD	
CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	805301596	QRWQCDLOFXZRSF-IRXDYDNUSA-N	416.653	4.996	50	20	HJGD	
CC(C)(C(=O)NNc1ncccc1Cl)c1csc(-c2cc(F)ccc2F)n1	810405938	QXWZAQJMTVXCBM-UHFFFAOYSA-N	408.861	4.558	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2Br)nn1)c1ccc2ccccc2n1	811686803	ALZUADYVZSMBCJ-RVDMUPIBSA-N	402.255	4.642	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1	812937725	DMLHDLWHVHLZOQ-UHFFFAOYSA-N	403.548	4.590	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C	813032983	YWTHABBREJSNMH-FQEVSTJZSA-N	411.937	4.921	50	20	HJGD	
O=C(NN=C1CCCC[C@@H]1CCCO)c1ccc(COc2ccc(Cl)cc2)cc1	814727320	MRBAZHUEZHHTLW-GOSISDBHSA-N	414.933	4.968	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)N(C)C)c(C)n1C1CCCCC1	914737736	GMFMFKPTWWXFHA-HKWRFOASSA-N	418.541	4.858	50	20	HJGD	
O=C(NN=Cc1sc(Nc2ccccc2)nc1Cl)c1cc(-c2ccccc2)[nH]n1	915913038	YJYWUIFKGTYCPD-UHFFFAOYSA-N	422.901	4.694	50	20	HJGD	
O=C(NNC(=O)N1CCC(c2c[nH]c3ccccc23)CC1)c1ccc2ccccc2c1	918013457	FGCFWRAEDDMPLC-UHFFFAOYSA-N	412.493	4.555	50	20	HJGD	
COc1ccccc1Nc1nc(Cl)c(C=NNC(=O)c2ccccc2Cl)s1	1318441809	URQAZABBPUSSTF-UHFFFAOYSA-N	421.309	4.966	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ncccc34)CCC2)cc1	1790486498	BXFDZPLYSXPLRB-FQEVSTJZSA-N	421.928	5.000	50	20	HJGD	
Cc1ccc(S/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(C)(C)CCl)cc1	1792882524	ZIJZXAYYNORTND-XGCLATHASA-N	421.006	4.504	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3cccc(Cl)c3C)C2)CC1	1805099470	QYKPMUUYTZYLMR-KRWDZBQOSA-N	411.373	4.511	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1	1830750257	NQIKFTURSAEULE-FCHUYYIVSA-N	416.993	4.815	50	20	HJGD	
N#C/C(=C\c1cccc2c1OCCCO2)C(=O)Nc1ccc(SC(F)F)cc1	53102140	NWCOKWHTYKYMSE-SDNWHVSQSA-N	402.422	4.708	50	20	HJGD	
CCSc1nnc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)s1	209286939	VXZRCLKXQNUCIE-DCMHDJSWSA-N	406.583	4.653	50	20	HJGD	
Cc1nc2ccc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)cc2s1	220137693	ABYFTKDKQRJUNL-JZVSFUAJSA-N	420.538	4.748	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@H]1c2ccccc2C[C@H]1O	726847841	JWGZHIHILFMGKZ-VNQPRFMTSA-N	416.852	4.686	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(C(F)(F)F)c2)cc1	727263650	GTQGMPIBKXPNDN-JYRVWZFOSA-N	407.779	4.863	50	20	HJGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(CSc2ccc(Cl)cc2)cc1	727270358	JSCLBTKRXNIICS-UHFFFAOYSA-N	420.003	4.541	50	20	HJGD	
Cc1c(C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)sc2cccc(F)c12	727500556	RXMKCHIELPJRIT-UHFFFAOYSA-N	417.531	4.767	50	20	HJGD	
CCn1cnnc1-c1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	729652232	PKTASOUYMWNGOY-NDENLUEZSA-N	416.529	4.585	50	20	HJGD	
O=C(NNc1nccnc1Cl)c1cccc(Oc2cccc(C(F)(F)F)c2)c1	734261545	LIHIIIKYOZOSRW-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
O=C(NCc1ccco1)NNC(=O)c1c(Cl)cccc1Oc1ccccc1Cl	742586266	TWSJBBZPTUYXFX-UHFFFAOYSA-N	420.252	4.523	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1cccc2cccnc12	747356643	VUBDOUSTXRTRGM-UHFFFAOYSA-N	416.868	4.626	50	20	HJGD	
CCN(CC)CCOCCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752978042	IWHJZRFCJRTCAG-UHFFFAOYSA-N	405.433	4.824	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNc1ccc(-c2ccccc2)nn1	754471785	MZNSUWOQLBQQRE-UHFFFAOYSA-N	419.872	4.528	50	20	HJGD	
Cc1ccnc(Oc2cc(NC(=O)NNC(=O)c3cccc(Cl)c3)ccc2C)c1	756776365	ATOMJZAIHLPGJC-UHFFFAOYSA-N	410.861	4.611	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	758110605	TYXQQWOZOUUYSV-UHFFFAOYSA-N	422.510	4.604	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cncc(-c2ccc(Cl)cc2)c1	758149252	UENNEGOLWREIGE-UHFFFAOYSA-N	417.321	4.687	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1	758925597	BGAILYQURCZIMY-NNIWKIFQSA-N	417.465	4.964	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@H](c1cccc(Cl)c1)c1ccccn1	761797781	JAIDAYLIEYWKBH-GOSISDBHSA-N	406.795	4.568	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccc(Sc2ccccc2Cl)nn1	764324615	URIPBODKLJXVKF-UHFFFAOYSA-N	413.915	4.648	50	20	HJGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H](Sc2ccccc2F)c2ccccc2)c1	768715760	QXPGGNWEGOJGAU-LJQANCHMSA-N	412.877	4.722	50	20	HJGD	
CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1sc(-c2ccccc2)nc1C	769568124	HAWXGHBOCLVMIX-CYBMUJFWSA-N	416.547	4.528	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NNc1c(F)cccc1Cl	770191190	QCKSPPWCURBZAQ-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NNc2c(F)cccc2Cl)c1	771146640	UJCDPORGFHNTKN-UHFFFAOYSA-N	413.280	4.762	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)N[C@H](c1cccc(Cl)c1)c1ccccn1	771340463	IZTZJWKOKWKRPO-QGZVFWFLSA-N	405.260	4.943	50	20	HJGD	
Cc1cccc(Oc2ncccc2NC(=O)C(=O)NNc2cccc(Cl)c2C)c1C	773771773	XEDFFVXVTNSIFJ-UHFFFAOYSA-N	424.888	4.534	50	20	HJGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1ncc(Cl)cc1Cl	775275543	MEKBPXIVWLHOAV-UHFFFAOYSA-N	413.717	4.851	50	20	HJGD	
O=C(O)c1ccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	776438716	ZSSDKFWCWQOHLP-UHFFFAOYSA-N	417.377	4.521	50	20	HJGD	
Cc1cc(C(=O)NNc2cccc3cnccc23)nn1-c1ccc(Cl)c(Cl)c1	777425593	CLNNQKOSQMGOPP-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
CCCC(=O)Nc1cccc(NC(=O)NNc2ccccc2OC(F)(F)F)c1C	779411260	QJNPNZSSKXWWDH-UHFFFAOYSA-N	410.396	4.781	50	20	HJGD	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NNc1ccc(F)cc1F	783358224	ZAALWMKTTDERAF-UHFFFAOYSA-N	409.845	4.719	50	20	HJGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)C(=O)Nc1ccccc1C(C)(C)C	785161800	XJKSDOYWFDYVJD-UHFFFAOYSA-N	410.905	4.576	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2sccc2Cl)c(C)n1C[C@H]1CCCO1	785908220	MADVHCNLFPNYSV-VHEJECIDSA-N	404.919	4.649	50	20	HJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1	786042629	AHFABJWIMFBYRG-BOPFTXTBSA-N	402.497	4.744	50	20	HJGD	
COC(=O)c1occc1COC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	791149324	DMZJTVVXJXCDFX-XDHOZWIPSA-N	410.470	4.640	50	20	HJGD	
Cc1cccnc1NNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	791215561	VGDIDIOVKIHVGG-UHFFFAOYSA-N	414.874	4.860	50	20	HJGD	
O=C(NNc1ncccn1)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1	792972543	VGQGFFFPLAIOTF-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	802044291	MEUBZAGUBMPZRQ-AWEZNQCLSA-N	420.460	4.519	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2nccnc2C2CCC2)cc1C	805460771	NGKUNBLIAAIDLX-UHFFFAOYSA-N	405.527	4.664	50	20	HJGD	
N#C/C(=C/c1cscc1C(F)(F)F)C(=O)Nc1nc(-c2ccncc2)cs1	811626285	GHXOCAYUEJTMNE-WZUFQYTHSA-N	406.414	4.831	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813522148	GWJFFKOMXRGXLI-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	814638988	WYXDESSRRNFOAG-UHFFFAOYSA-N	416.268	4.789	50	20	HJGD	
CC1(C)CCC[C@@]1(O)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	815061574	ZRBVADDTQIUBTC-CQSZACIVSA-N	409.442	4.564	50	20	HJGD	
C[C@]12CCN(C(=O)C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)C[C@@H]1C2(F)F	815659202	WLWSJTBWIJWRFK-FZMZJTMJSA-N	420.350	4.786	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)cc1	817925635	JZGTVUGQFGRDSJ-UHFFFAOYSA-N	419.268	4.731	50	20	HJGD	
CCC(CC)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	852997408	CGLCUGBSJNKQFB-SQVRNEIYSA-N	413.562	4.754	50	20	HJGD	
CCOc1ccc(N(CC)C(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	914517900	BXWXJOPXOSKKIR-VOZFUJEASA-N	421.541	4.643	50	20	HJGD	
COc1ccc(O)c(C(C)=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)c1	916357744	IEPZFIHQYZPKDT-UHFFFAOYSA-N	415.902	4.519	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c(C)n1CC(C)C	916480432	YVLFUKQDEQOBNH-CIAFOILYSA-N	420.557	4.835	50	20	HJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])on1	917217021	APJSVVUGWGGBOR-UHFFFAOYSA-N	418.862	4.594	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c(C)n1CC(C)C	917844044	OIXBAQFNTSEJQI-OZFQCSHOSA-N	423.532	4.844	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1	918605038	ZQOAOBMORGMQDX-MLPWYGTASA-N	403.526	4.863	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N(C)Cc3csc4ccccc34)cc2C1	920963168	PLWDTRMEDOUXOK-ZDUSSCGKSA-N	413.568	4.574	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCCn2c(C)nc3ccccc32)c(C)n1CC(C)C	921739369	QINSUIOQAKRFFS-HYARGMPZSA-N	417.557	4.533	50	20	HJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	1317972920	PDVRDZFQCPLZSX-UHFFFAOYSA-N	418.280	4.847	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccsc3)cc2)CCC1	1788237155	NNSSOTXEZMVLQY-SFHVURJKSA-N	404.963	4.832	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3ccoc3)cc2)CCC1	1791954097	XHCCRUWEICPJPG-IBGZPJMESA-N	402.922	4.754	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3csc(C)c3C)C2)CC1	1808782167	UUOJZHXZJIXFTK-SFHVURJKSA-N	411.011	4.617	50	20	HJGD	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](Cl)CCC)n[nH]1	1815320747	GWOAAXXOIIWORS-DOTOQJQBSA-N	408.974	4.802	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc(Br)c1OC	7350298	NDOBZNASXQSGAE-RIYZIHGNSA-N	404.235	4.785	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1C	211234424	AFLMNZVRXXKQJH-ZWAQGKOVSA-N	421.541	4.918	50	20	HJGD	
CCOC(=O)/C(C#N)=C\Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1	220682182	IAPHXQNWDMYSCA-SDXDJHTJSA-N	423.538	4.732	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc(OCC(F)F)c2)c(C)n1CC(C)C	726514746	UDEIKIHSDAVTDY-KEBDBYFISA-N	415.484	4.628	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NNc2ccc(Br)cc2Cl)cc1	729275303	GBROOZGKMHCJOM-UHFFFAOYSA-N	410.743	4.701	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2(c3ccccc3Cl)CCOCC2)cc1	729982754	GYKJXSUJHMDSNH-XDJHFCHBSA-N	424.928	4.510	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(c3ccc(F)cc3)CCOCC2)c(C)n1CC(C)C	730501778	QEMRFONEZFYQOC-KGENOOAVSA-N	423.532	4.629	50	20	HJGD	
COc1cc(C=NNC(=O)C(C)(C)c2ccccc2)ccc1OCc1cccs1	731153356	IAXZDQAAOFYJNN-UHFFFAOYSA-N	408.523	4.764	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)ccc1C	731479624	ZUXBRJHQMUVVPA-UHFFFAOYSA-N	403.198	4.542	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c(OC(F)F)c1	734096713	QTDDURQZFYWJMD-KPKJPENVSA-N	407.442	4.596	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)c(-c2ccccc2)cc1OC	734484384	WMPAZGZJXSNQQI-XKZIYDEJSA-N	412.489	4.903	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1C	736528255	SBWCNBKXAZRPHD-MSDHRMKUSA-N	423.532	4.763	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1	737952869	UCJBRFMMEIPAHM-HIUKTBKZSA-N	417.553	4.504	50	20	HJGD	
CC[C@H](Cc1ccccc1)N(C)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	741964000	CWWFQPMHPHMYAT-ZCTPCOKVSA-N	407.558	4.699	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(Br)cc1Cl	743437640	NYJVKTZCCRURQL-UHFFFAOYSA-N	401.691	4.949	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2ccncc2)c(C)n1-c1ccc(F)cc1	743723255	QNTRBAULTSWCCI-XESZTULISA-N	402.473	4.755	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(F)cccc1Br	753177463	ZCKZBLCBYSBDJA-UHFFFAOYSA-N	416.088	4.670	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1oc2ccc(OC)cc2c1C	753185126	REHOPJIKILUMRG-UHFFFAOYSA-N	403.276	4.832	50	20	HJGD	
Cc1nc2ccc(NC(=O)NNC(=O)c3sc(-c4ccccc4)nc3C)cc2s1	755414445	VHPUGNUQFRSHFM-UHFFFAOYSA-N	423.523	4.503	50	20	HJGD	
CC(C)(C)Oc1ccccc1NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	756587074	YYZHWRTZGDAEIR-UHFFFAOYSA-N	423.469	4.502	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	761617623	KUZZHPUYAAYYKR-ZSEWYUTFSA-N	408.873	4.985	50	20	HJGD	
Cc1nc(-c2ccc(CCNC(=O)[C@@H](Br)C(C)(C)C)s2)cs1	767009376	XCRKYMZLTJMUPD-CQSZACIVSA-N	401.395	4.648	50	20	HJGD	
CS(=O)(=O)[C@H]1CCCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	770652738	LVGWCZVBRNKJBI-LBPRGKRZSA-N	422.441	4.775	50	20	HJGD	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1	771124713	JFNBLDZBGJDNBO-ZDUSSCGKSA-N	404.873	4.642	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1	772859583	DHAHLISNHWNNQJ-UHFFFAOYSA-N	413.428	4.702	50	20	HJGD	
CCc1ccc(C(=O)Nc2sccc2C(=O)NNc2ccc3ccccc3n2)cc1	777461692	PJJSVCXQQOGJOG-UHFFFAOYSA-N	416.506	4.868	50	20	HJGD	
Cc1cccc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)c1OC(F)F	777877647	QNBBYSCSCIMCPV-UHFFFAOYSA-N	401.438	4.792	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(C(F)(F)F)c2)cc1	780146111	DZRJKSGEPCRISW-AWNIVKPZSA-N	407.779	4.863	50	20	HJGD	
O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	782983253	MGDSOUUTFUGNAV-UHFFFAOYSA-N	418.365	4.731	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	783340098	LRPDSYNKPSAKIT-UHFFFAOYSA-N	422.897	4.699	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	787423506	DMZMCAZYFJXLII-YZYPPFLQSA-N	403.507	4.951	50	20	HJGD	
COc1cccc(COc2cccc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)c2C)c1	787475183	VQINWJPHOKNHQL-DEDYPNTBSA-N	414.461	4.834	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)c1C	790333330	SNTLGUWZBNCXIN-RAUCFSQZSA-N	423.557	4.741	50	20	HJGD	
O=C(Cn1cnc2sccc2c1=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792547073	INLZJMSFSNUPRE-UHFFFAOYSA-N	411.377	4.754	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C1(c2cccc(C(F)(F)F)c2)CCCC1	803434363	DSGJHKSKDZYRTB-UHFFFAOYSA-N	415.415	4.502	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cnn(CC(C)C)c2C2CC2)c1C	807725349	RIIOQRUULLQBGX-SOFYTKRASA-N	423.561	4.588	50	20	HJGD	
CC(=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1csc(N)n1	812382201	DIBFDSFXKLVBJF-UHFFFAOYSA-N	421.913	4.748	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/C(C)=C\c1ccccc1COC	814187626	ORWFFBAKDCHRGP-JABDDIKQSA-N	406.482	4.691	50	20	HJGD	
C[C@H]1CC(=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC[C@@H]1C(=O)O	814727712	VKVSDBLNXNTSON-XOBRGWDASA-N	414.889	4.526	50	20	HJGD	
CCCOc1ccc(C(=O)NN=C2CC[C@@H](c3ccccc3)C[C@@H]2OC)cc1OC	814755720	TYHRBINEPLUPMO-GCJKJVERSA-N	410.514	4.553	50	20	HJGD	
CN(C)Cc1cccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	817016237	MFWCODANNWMRJF-UHFFFAOYSA-N	405.342	4.543	50	20	HJGD	
COc1ccc(C(=O)NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)cc1OC	916290244	SEZXXIIFOQLMHW-UHFFFAOYSA-N	413.477	4.626	50	20	HJGD	
CC(C)c1cccc(NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1	917568278	AYIJINFNWWTRGS-UHFFFAOYSA-N	412.342	4.513	50	20	HJGD	
CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(CCCl)cc3)oc12	917863913	WHUNARMRKNQKOC-AWEZNQCLSA-N	407.919	4.652	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N(C)Cc3cccc4ccccc34)cc2C1	918002319	ASSLVUXFEPGPGS-HNNXBMFYSA-N	407.539	4.513	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OC[C@H]2CCOC2)c(C)n1-c1cccc(C(F)(F)F)c1	918946819	YGAVMWDDXBFHJR-ZJTXRKTBSA-N	418.415	4.600	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@]3(F)CCCCC3(F)F)CCC2)cc1)[C@@H](F)Cl	1788584693	HSLAAAYSEKNHTP-KDOFPFPSSA-N	420.834	4.573	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(C)s2)[nH]n1	1820861256	VTWJYXZHNFVUJC-ZMMKQQPBSA-N	420.966	4.503	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)O	17474921	XOORCNWPMZIIOH-RQZCQDPDSA-N	406.463	4.655	50	20	HJGD	
OC1=N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1cnn(CCCl)c1	209321658	XFQODPQCUKKNTI-AWNIVKPZSA-N	400.813	4.873	50	20	HJGD	
COC(=O)Nc1cc(NC(=O)NN(Cc2ccccc2)c2ccccc2)ccc1F	727594816	YQXFUHQYJLRTDT-UHFFFAOYSA-N	408.433	4.747	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	727801264	NBUVXPKHADYWOT-WDEREUQCSA-N	400.649	4.802	50	20	HJGD	
Cc1ccc(C)c(Oc2ccc(CNC(=O)NNc3cccc([N+](=O)[O-])c3C)cn2)c1	728128886	VZXPOHSPNRQAQS-UHFFFAOYSA-N	421.457	4.534	50	20	HJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1ccccc1C(F)(F)F	728176086	NILDZLYEFZVPAF-ZROIWOOFSA-N	400.335	4.576	50	20	HJGD	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NNc3ccc(F)c(F)c3F)c12	728714420	UCFPUCFHZSIVPF-UHFFFAOYSA-N	416.359	4.780	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccc2)C2CCC2)cc1	729615241	VVTDUHGSGGAWBG-QFIPXVFZSA-N	409.530	4.597	50	20	HJGD	
CCN(C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@@H](C)c1cccc(C(F)(F)F)c1	731221244	HVIBGERHFVLRMZ-HNNXBMFYSA-N	421.463	4.807	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c(Cl)c1	731477337	DWWWACFMBGFUQR-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
Cc1cc2occ(CC(=O)NNc3ccc(Br)nc3)c2cc1C(C)C	732838168	BPVQRKUNGOWIBF-UHFFFAOYSA-N	402.292	4.708	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(NC3CCCC3)c2)c1C	735517190	HJGYOJDFFGEMCS-ZHZULCJRSA-N	406.530	4.652	50	20	HJGD	
O=P(CCN1CC[C@@H](Cc2ccc(F)cc2)C1)(c1ccccc1)c1ccccc1	736628965	LPKPLWDZLKVFAK-QFIPXVFZSA-N	407.469	4.704	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1	737952875	UCJBRFMMEIPAHM-HXQZXLRWSA-N	417.553	4.504	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1C	739597966	AOKXOHXZHVBRAR-JCMHNJIXSA-N	420.557	4.533	50	20	HJGD	
CCc1cnc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)s1	742804508	ABULXOWFKWAYSC-YBFXNURJSA-N	404.539	4.645	50	20	HJGD	
CC[C@@H](c1ccccc1)N(CC)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	746203730	SGPKEVPAXMMVPP-NRFANRHFSA-N	421.497	4.686	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)[C@H](C)c1ccccc1	746872579	PUTMSNNADJUOSB-PTNIKOMKSA-N	423.520	4.679	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1cccc2cccnc12	747361926	DBBQDXSCHYYBAR-UHFFFAOYSA-N	423.501	4.913	50	20	HJGD	
Cc1nn(-c2ccccc2)c2ncc(C(=O)NNc3ccc(Cl)cc3Cl)cc12	748008256	RKDPKPYMXKATAE-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NNc1cccc(C#N)c1	748031325	SAMARSBFROCJAO-UHFFFAOYSA-N	421.298	4.812	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	748549164	LCKFCPLAAZKMSQ-UHFFFAOYSA-N	409.408	4.962	50	20	HJGD	
C[C@H]1CCC[C@@H](CC(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)C1	749931002	LNOCUYVLUSCPNB-WDEREUQCSA-N	407.889	4.893	50	20	HJGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1	750328508	VOSIHDUQLVAMAN-QFIPXVFZSA-N	421.928	4.587	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)ccc1OCC(F)(F)F	750894903	CFXNZCCQSUVGDS-ZSOIEALJSA-N	400.356	4.907	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1	751167928	ZYLTZPBHSXSUQE-UHFFFAOYSA-N	414.439	4.733	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3cc(Cl)ccc3Cl)cs2)cc1OC	752811103	QKACNIUIWXQXMO-UHFFFAOYSA-N	424.309	4.891	50	20	HJGD	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1	752812452	FTEOLKPSFMFHKR-UHFFFAOYSA-N	408.329	4.868	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccc(SC2CCCC2)cc1	755737513	NKSPLPXZSZLDFU-UHFFFAOYSA-N	408.527	4.598	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(Br)c(Br)c3)nc12	757530698	XBHVIKKBDVEBLZ-IZZDOVSWSA-N	418.092	4.856	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3cccnc3)nc2)c1C	760780564	ATPUUKDLNRTCIL-XDHOZWIPSA-N	401.470	4.643	50	20	HJGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)[C@@H](C)C1	761255809	QUTICUXCKDQTTK-ZFWWWQNUSA-N	402.491	4.639	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1Br	761595917	QLCUCGAICDUNFR-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c(C)cc1Br	768416028	IPSHUVRCPJTSOB-UHFFFAOYSA-N	412.209	4.713	50	20	HJGD	
O=C(Cn1cnc2ccccc21)NN=Cc1c(Cl)cccc1Oc1ccccc1	769567152	NBRDQWSUJJHQSJ-UHFFFAOYSA-N	404.857	4.632	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@]3(C2)OCc2ccccc23)c(C)n1CCC(C)C	770036877	DKOIFZKLDIGVKP-ZKZBLMLZSA-N	417.553	4.716	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1Cl	771095524	RKNSLJQVWNBTKW-UHFFFAOYSA-N	411.594	4.740	50	20	HJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1OCc1ccccc1Cl	771591515	CBFZUAPZMLENLD-UHFFFAOYSA-N	415.808	4.723	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C	772226709	SCGXNWDBAOPSAG-UUOWRZLLSA-N	421.972	4.958	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)c3cc(SC)ncn3)cc2)cc1	773174938	BHRDPCGQBKAQOQ-ODLFYWEKSA-N	417.490	4.628	50	20	HJGD	
COc1ccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1F	777874774	MPRSPBADDQEFRF-UHFFFAOYSA-N	421.384	4.970	50	20	HJGD	
CN(C)CC[C@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(C)(C)C	777949565	HMSUHJBSTUDYNF-AWEZNQCLSA-N	424.501	4.989	50	20	HJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ccc([N+](=O)[O-])cc3Br)oc12	779145931	MGIQPSOTFCILSD-UHFFFAOYSA-N	418.247	4.786	50	20	HJGD	
Cn1nc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	779752596	RIZYDFZWYVSHRX-SDNWHVSQSA-N	423.270	4.521	50	20	HJGD	
CC[C@H](C)Oc1ccc(NC(=O)C(=O)NN(Cc2ccccc2)c2ccccc2)cc1	782825202	QKUKRQMDRRWRLW-IBGZPJMESA-N	417.509	4.540	50	20	HJGD	
Cc1nnc(Sc2ccc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)c(C)c2)s1	787288507	DFANVVIFTHJNSD-GDNBJRDFSA-N	408.508	4.557	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)c(C)n1[C@@H](C)c1ccccc1	787436288	VESBVJUOVLGEKC-INIZCTEOSA-N	424.932	4.512	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)nc(Cl)c2)c(C)n1C[C@@H]1CCCO1	787937262	CMWZFXSWIOVRRK-QRMGNNRRSA-N	419.312	4.531	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1C	790094266	QTENFQCTDUESQE-VCHYOVAHSA-N	420.340	4.624	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OC[C@@H]2CC3(CCC3)C(=O)O2)c(C)n1C1CCCCC1	791289529	HJVKUNZCOUGWAK-SRKIZSPNSA-N	410.514	4.546	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC23CCOCC3)c(C)n1C1CCCCC1	800195768	OWUHZUYGHHSWIS-BTZCDPCDSA-N	409.574	4.983	50	20	HJGD	
CCCN(NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12)C(=O)OC(C)(C)C	804591926	OKZUXTATXRWLKP-UHFFFAOYSA-N	402.495	4.516	50	20	HJGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(-c3ccc(Br)cc3)c2)cc1	806997796	VZHMTFPUVUOUFG-UHFFFAOYSA-N	424.298	4.506	50	20	HJGD	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(OCCCCl)cc2)cc1	811689138	YJKIXMPHQYESQY-XGICHPGQSA-N	410.901	4.903	50	20	HJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1cc(C(F)(F)F)ccc1F	815870783	NGDDXYNCVSRFOK-UHFFFAOYSA-N	405.189	4.981	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1	817908390	GGDBYZZMFOSHPO-UHFFFAOYSA-N	418.522	4.782	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCc2cccc3cccnc23)c(C)n1CC(C)C	898827848	XAELDILWVMVWPR-OEAKJJBVSA-N	400.526	4.575	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	915844771	JFNAEBFLIKDEQQ-RGEXLXHISA-N	404.470	4.693	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)CNc3ccccc3F)s2)cc1	915918830	BFWQCQNRCIKFNP-UHFFFAOYSA-N	417.897	4.550	50	20	HJGD	
Cc1ccc(NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1	916162135	CCUHJLOJNMOUBZ-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccccn2)c(C)n1-c1ccc(Cl)cc1	919985869	NABAJUQDOMJTGC-UYRXBGFRSA-N	404.901	4.708	50	20	HJGD	
Cc1ccc(NNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1Cl	1115831534	NXALEVQKTJULLO-UHFFFAOYSA-N	421.928	4.797	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cccc2ccoc12	1788589070	UOIJHLDFNDZGLO-GOSISDBHSA-N	400.837	4.715	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3c(CC)noc3C)cc2)CCC1	1789814136	UZLYEZYEUYCELD-QGZVFWFLSA-N	417.937	4.701	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3)cc2)CCC1	1790259279	OLTGNTAFBPKBAD-UHFFFAOYSA-N	402.897	4.838	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3SC)CCC2)cc1	1790486688	IHILLMWBIKDVBR-KRWDZBQOSA-N	417.962	4.569	50	20	HJGD	
O=C(CCc1nnc(-c2ccsc2)o1)NNc1c(Cl)cc(Cl)cc1Cl	29518120	ZKDRNUZYPKBKRK-UHFFFAOYSA-N	417.705	4.834	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3ccc(Cl)cc3s2)c1C	302897982	QZKDXJPPLJSKNB-DHDCSXOGSA-N	414.918	4.560	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1cc(-n2cccn2)ccn1	303820287	XMRYAZMXBYWUGV-MRXNPFEDSA-N	412.824	4.739	50	20	HJGD	
Cc1csc(-c2ccc(NC(=O)C(=O)NNc3ccc(Cl)cc3Cl)cc2)n1	725745858	HXGUXVIONDWMNU-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)Nc1cccc2ccccc12	733334241	SVCROWYGDVNUGV-UHFFFAOYSA-N	424.386	4.859	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	744502202	NOFKQBCFMCVSBA-TYSUYXETSA-N	418.493	4.701	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c(F)cc(Br)cc1F	748744052	MRVXORUGVUQXNW-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ncc(C)s3)c2C)cc1	750087214	CXIHSKDLGSUOGG-YLRSXTQRSA-N	420.538	4.652	50	20	HJGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNC(=O)Cc3ccc4ccccc4c3)c2)n1	757678025	VCJHPTJWSKBFLE-UHFFFAOYSA-N	414.465	4.507	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=C3CCC[C@H](C)C3)s2)cc1	764762148	LXJSUKSKUDMLCI-AWEZNQCLSA-N	420.629	4.913	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(C)cc1O	767062164	OZZOUQVBAOHVKN-UHFFFAOYSA-N	420.538	4.554	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	768067349	JJESAILTWFYVKZ-UHFFFAOYSA-N	419.384	4.920	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1cnn(-c2ccccc2F)c1C(F)(F)F	770203212	GVESETJWKZBVRV-UHFFFAOYSA-N	416.737	4.580	50	20	HJGD	
CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773329175	XNIOYKQJFXMQAJ-INIZCTEOSA-N	418.428	4.586	50	20	HJGD	
Cc1ccnc(Oc2ccc(NC(=O)NNc3cccc(C(F)(F)F)c3)cc2)n1	775666850	QOQYGULOUDJKLO-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
CC[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	778129990	ROOHTACVWKKREQ-CQSZACIVSA-N	409.442	4.517	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cn1)c1ccccc1	779210789	KKWOBODUGYXPQR-CQSZACIVSA-N	417.387	4.877	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1	783347472	NSHBBDZJBZAVIN-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
CC(C)Sc1ccccc1NC(=O)C(=O)NNc1c(Cl)cc(F)cc1Cl	784878964	XWWYKLLITIOBSN-UHFFFAOYSA-N	416.305	4.715	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(SC)cc2OC)c1C	785397800	NQKORKSFZWZCAP-PACYTGELSA-N	413.543	4.589	50	20	HJGD	
COC(=O)c1occc1/C=C(\C#N)C(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1	797126198	DYZUAQXASJVNPL-CXUHLZMHSA-N	421.478	4.661	50	20	HJGD	
O=C(Cc1cccc(Cl)c1)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804206090	CIHIYBSUHZBMOE-UHFFFAOYSA-N	406.795	4.502	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3coc(C)n3)cc2)c1C	913136004	BIOZZZLBXXGRJL-NBZOHKLQSA-N	418.497	4.821	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc3ccccc3c2)c1C	914482881	NEKKSWOCWWIUNW-DNNAEVNTSA-N	401.510	4.689	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Oc3cnccn3)c2)c1C	914740092	ZTRFQEYOHTXIRN-UNOMPAQXSA-N	401.470	4.643	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccc(F)cc2F)c1C	915982470	DEEJBVMOZFVWSQ-YVLHZVERSA-N	406.436	4.930	50	20	HJGD	
N#C/C(=C\C1=Cc2cc(Br)ccc2OC1)C(=O)Nc1ccccc1Cl	917400145	RCZFPOWOVRDMDB-RIYZIHGNSA-N	415.674	4.967	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)c(C)n1CC(C)C	917720602	JXUQCLVECYJWDH-WSDLNYQXSA-N	420.557	4.692	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@](C)(Cl)CCl)cc2)CCC1	1790489465	SIEFQWYTMUJCKZ-MAUKXSAKSA-N	419.780	4.764	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1	1815321385	VTUFERVXMCJCRG-NVXWUHKLSA-N	423.344	4.777	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1O	8200121	QJHVOVCGBXRNDG-CXUHLZMHSA-N	405.479	4.687	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc(N)nc(Nc2ccccc2)n1	11183394	HMZSGSGUCQQHCX-XSFVSMFZSA-N	420.476	4.841	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1C	104918664	QUOHUAMSIJOCTK-DMMSUNFISA-N	411.571	4.691	50	20	HJGD	
Cc1cccc(-n2ccnc2SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)c1	112971079	QKPRUAMOGJZRHW-CAPFRKAQSA-N	404.520	4.795	50	20	HJGD	
CSc1nc(-c2ccco2)nc(C)c1C(=O)NNc1ccccc1C(F)(F)F	219025901	IBRZSRNOEHIVCR-UHFFFAOYSA-N	408.405	4.543	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](OC1CCCC1)c1ccccc1	726980045	OQIOCUSXGLKMOI-GOSISDBHSA-N	423.391	4.757	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1	727101620	YFRAASOJIKUCQD-UHFFFAOYSA-N	401.772	4.688	50	20	HJGD	
O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NNC(=O)CCCc1ccccc1	727716941	LYHOSDMFOCYOPQ-XFXZXTDPSA-N	410.823	4.542	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C#N)ccc2OC(F)F)c1C	728015179	ZSJZWAUPHOENDB-WQRHYEAKSA-N	412.440	4.924	50	20	HJGD	
CC(C)(C)C[C@H](NC(=O)NNC(=O)c1cccc(OC(F)F)c1)c1ccc(F)cc1	728599433	HVANVEZSLITBMD-KRWDZBQOSA-N	423.435	4.549	50	20	HJGD	
CC(C)[C@@H](CC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	728827229	MVSUQDHGUANGDZ-MRXNPFEDSA-N	423.738	4.693	50	20	HJGD	
Cc1nc(C(C)(C)NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)no1	729818927	PFRMHSJDMQUYMU-LLVKDONJSA-N	408.833	4.654	50	20	HJGD	
COc1ccc(NC(=S)NNC(=O)CC2CCC(c3ccccc3)CC2)cc1F	731059235	DXMGUNMSPCCREG-UHFFFAOYSA-N	415.534	4.516	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)cc1	732129828	PTDQSKXAPFZQEP-LANLRWRYSA-N	407.514	4.517	50	20	HJGD	
COc1ccc2[nH]cc(CCNC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)c2c1	733176328	FQENKSQJDGTTLA-NHDPSOOVSA-N	418.541	4.517	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C3CCCCC3)[nH]n2)c1C	743455946	BEQVIEGQLNQQLU-YODDIOPGSA-N	409.534	4.629	50	20	HJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1	746340587	LSSJGNXMKLEHTO-FOWTUZBSSA-N	418.465	4.962	50	20	HJGD	
CC(C)(C)N1CCC(=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)CC1	747042563	RJTYWRQPYMUSDX-UHFFFAOYSA-N	404.967	4.631	50	20	HJGD	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NNc3ccc(Cl)cc3Cl)n2)n1	748008020	AFYSPVBHGMUUTA-UHFFFAOYSA-N	410.692	4.601	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(Oc2cccc(Cl)c2)cc1	749838607	RIJINRSEVQCVCY-UHFFFAOYSA-N	419.868	4.617	50	20	HJGD	
CC[C@H](C)c1ccc([C@@H](NC(=O)NNC(=O)c2ccc(C)o2)c2cccs2)cc1	752841088	SBMGMCXACVDBIM-VBKZILBWSA-N	411.527	4.897	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc2c(OC(F)F)cccc2[nH]1	754149489	XNTWPBLJXKUXOJ-UHFFFAOYSA-N	403.282	4.684	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2o1)Nc1ccccc1COCc1ccccc1	755924493	UKBUTWCOPYKCEW-UHFFFAOYSA-N	415.449	4.616	50	20	HJGD	
O=C(CCc1nnc(C2CCCC2)o1)NNc1c(Cl)cc(Cl)cc1Cl	760215338	GTJBLQUGILPQQP-UHFFFAOYSA-N	403.697	4.763	50	20	HJGD	
O=C(CCC(=O)c1ccc2ccccc2c1)NNc1ccc(OC(F)(F)F)cc1	761591858	XTNTZPXTHZRQRV-UHFFFAOYSA-N	402.372	4.845	50	20	HJGD	
O=S(=O)(N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(S(F)(F)(F)(F)F)cc1	765176567	PLWXQKPCZPMWPT-BXUZGUMPSA-N	407.426	4.580	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F	766543745	FYTRANZIODKLMU-ZIAGYGMSSA-N	408.424	4.542	50	20	HJGD	
N#Cc1cccc(NNC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	769978247	MKUXCAFBVMHNOE-UHFFFAOYSA-N	405.845	4.613	50	20	HJGD	
Cc1cc(C[C@H](C)NC(=O)CCCC[C@@H]2CCSS2)n(-c2ccccc2)n1	773089949	KAZGIQDUIXXDBU-OXJNMPFZSA-N	403.617	4.942	50	20	HJGD	
COc1c(Br)cccc1/C=C(/C#N)C(=O)c1ccccc1OC(F)F	773914175	DLOWLXOHYLPENI-XFXZXTDPSA-N	408.198	4.849	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(C(=O)c2cccc(O)c2)cc1	780963288	DIHINBIBWOKHJT-UHFFFAOYSA-N	418.346	4.538	50	20	HJGD	
Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782820566	DMEOODVNPAERPV-UHFFFAOYSA-N	413.399	4.822	50	20	HJGD	
CC(C)(C)c1nc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)no1	782931342	RULDSARATQSUDL-UHFFFAOYSA-N	407.386	4.825	50	20	HJGD	
O=S(=O)(N[C@@H](CCO)C1CCCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	782982619	YBMFOODYQAFLFI-HNNXBMFYSA-N	423.469	4.954	50	20	HJGD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982664	YKGRBOLZBQVWEF-MCIONIFRSA-N	421.453	4.826	50	20	HJGD	
COc1cc(NNC(=O)c2cc(Br)cc(C(F)(F)F)c2)ccc1Cl	790189773	UBZVBMLOUITLGH-UHFFFAOYSA-N	423.616	4.887	50	20	HJGD	
C[C@@H](CCCCC(=O)O)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790616551	MUBUOALUCQVNII-JTQLQIEISA-N	411.414	4.656	50	20	HJGD	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NNc1cccc2cnccc12	790803399	GXEFYXWPFBCJPZ-UHFFFAOYSA-N	412.371	4.974	50	20	HJGD	
Cc1cc(OCc2ccc(C(=O)NN=C3CCC34CCOCC4)cc2)ccc1Cl	799866303	BFJWLRMJIQYUDF-UHFFFAOYSA-N	412.917	4.904	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(/C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	801647704	HYNZCDWNBKDZBQ-DHDCSXOGSA-N	414.362	4.832	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(SCc2ccccc2)cc1	803428156	SXYKQLHVQUWGRX-UHFFFAOYSA-N	401.491	4.577	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC=C(c3ccccc3)C2)c(C)n1C[C@@H]1CCCO1	803678677	HDLXEZVAIZPLBO-VVIXHQMUSA-N	415.537	4.507	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)C(=O)OC3)c(C)n1C1CCCCC1	809202261	IFHISRZJSMRTIW-ODLFYWEKSA-N	403.482	4.826	50	20	HJGD	
C[C@H]1C(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC[C@H](C(=O)O)C1(C)C	814770040	NXXGKAOIXJLOSE-SWLSCSKDSA-N	402.491	4.797	50	20	HJGD	
COc1ccccc1C(=O)NN=Cc1sc(Sc2ccccc2)nc1Cl	814843388	DGIAEXJUHFZUBR-UHFFFAOYSA-N	403.916	4.720	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1	857546338	VASQNMRTBXMDFN-UHFFFAOYSA-N	416.831	4.573	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](CC(C)(C)C)c2ccccc2)c2ccccc2n1	916517990	CQNYWAJXGTUXME-OAQYLSRUSA-N	404.514	4.665	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CCCc2ccc(Cl)c(Cl)c2)c1C	917021815	VAINGLOQYQQEQZ-UHFFFAOYSA-N	410.370	4.951	50	20	HJGD	
O=C(CC(F)(F)F)NN=Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1	917551747	XHQQOQRISYZHTL-UHFFFAOYSA-N	420.822	4.654	50	20	HJGD	
COC(=O)c1cccc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1	918561681	CALQAHRZOXENAC-INIZCTEOSA-N	403.809	4.945	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)c1oc2ccccc2c1CSc1cccs1	921279894	DEPFJYHIYRPFJM-UHFFFAOYSA-N	400.525	4.738	50	20	HJGD	
COc1ccccc1OCc1nnc(/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)o1	1261426701	ZRZQROJXJIBWDK-YBFXNURJSA-N	406.486	4.796	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2ccc(C(C)(C)C)nn2)n1	1328713919	AGIXWQLMYLVFNE-UHFFFAOYSA-N	413.572	4.588	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@H]2OCCC[C@@H]2C1	1338424811	XHLMAJDTIKGBHJ-RISCZKNCSA-N	407.426	4.534	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)on3)cc2)CCC1	1787544604	ORSDQDRLIMYSJR-KRWDZBQOSA-N	417.937	4.953	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)no3)CCC2)cc1	1790487523	ZNYJMALZJVYYSZ-MRXNPFEDSA-N	403.910	4.563	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)ccc2C)n[nH]1	1823143044	RFGLNQBVYNNWQP-MJGOQNOKSA-N	416.953	4.740	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1	1824010891	IIZNXLWFAIIJGN-SGQUHAKNSA-N	423.022	4.646	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1824615552	DUUNXKSDRZRUCI-LKWCPCFXSA-N	409.014	4.760	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](Cl)CCC)CC1	1828820761	FCZCQUJTMAHUNQ-HKBOAZHASA-N	409.014	4.782	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2ccccc2)CC1	1830315023	UEFJJMLYQUSTMA-BVYCBKJFSA-N	419.009	4.502	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1	303527758	QRFLPPRQZLGHQQ-MHWRWJLKSA-N	404.451	4.826	50	20	HJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	727253664	GATOJEPWRYNUQM-HNNXBMFYSA-N	419.572	4.625	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)Cc2ccc(C)cc2C)c1C	731181059	ZYGFEIUPVDLAIX-DICZEVPMSA-N	407.558	4.584	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1	731186743	RWVRMPAOSRSNKE-UXHICEINSA-N	410.926	4.536	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1ncc(-c2cccc(Br)c2)[nH]1)C1CCCCC1	732715903	BYIYEEUNSFMOBD-PTNGSMBKSA-N	413.319	4.537	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)N(CC)CC)cc2)c1C	741598695	RLORMNAWNSRCOL-QNGOZBTKSA-N	407.514	4.510	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C(N)=O)c(C)n1C1CCCCC1	744375726	PLHWXNUFAHIMLD-ATVHPVEESA-N	424.932	4.908	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccccc2Br)cc1	748058182	AHKOOAWZMAZUQJ-UHFFFAOYSA-N	406.280	4.553	50	20	HJGD	
CC(C)n1cc(Br)cc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	748694599	PPJLMQKWNYYHQO-UHFFFAOYSA-N	420.229	4.530	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(F)(F)F	750897652	ZTLQXGLXPVARRO-SXGWCWSVSA-N	404.388	4.799	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ncoc1-c1cccc(C(F)(F)F)c1	753424686	HQXIQGFQWHMMKC-UHFFFAOYSA-N	422.310	4.593	50	20	HJGD	
O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)Nc1ccc(-c2ncco2)cc1	757800505	BVROIDQNTCBNRX-UHFFFAOYSA-N	422.441	4.676	50	20	HJGD	
CCn1cc(C(=O)NNc2ccc(Cl)cc2Cl)c(=O)c2cc(Cl)ccc21	758385934	ROQCLGOGEHIFAN-UHFFFAOYSA-N	410.688	4.739	50	20	HJGD	
O=C(NCc1ccc(Cl)nc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762637611	SXFRYINFPGAPPZ-UHFFFAOYSA-N	415.771	4.647	50	20	HJGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNc1c(Cl)cc(F)cc1Cl	767405985	YPRLSORCLSSBMK-UHFFFAOYSA-N	401.313	4.678	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCCC(Cl)(Cl)Cl)c1C	767410099	BEQVORZBJWXCCS-IYVNWDGISA-N	407.725	4.523	50	20	HJGD	
CC(C)OC1CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	773237784	XIMPSFAZOWZWEK-UHFFFAOYSA-N	416.412	4.699	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc2c(c1)CCC(=O)N2CC1CC1	776068785	VAIHTFVVSCBSII-UHFFFAOYSA-N	418.419	4.543	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC2(CCOCC2)C1	782981624	RKVSCULTHZAIAM-UHFFFAOYSA-N	407.426	4.535	50	20	HJGD	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	783685481	CFWUVVKMMBHASA-LLVKDONJSA-N	422.325	4.557	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]	787147743	MMLADJXPNMIRRI-HKMIMPICSA-N	420.252	4.695	50	20	HJGD	
C[C@H]1CCCN(C[C@H](C)NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	788913363	OCCKJSWKTUOKPP-STQMWFEESA-N	422.485	4.743	50	20	HJGD	
Cn1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)c(-c2ccc(Cl)s2)n1	789820534	GAVPZBBVVYVFKF-UHFFFAOYSA-N	400.813	4.578	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(C(F)(F)F)c2)c1C	790070382	ILPKFZIGRCGNSR-GDXCHIGESA-N	419.447	4.555	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	794695507	PBBMPSQNPCNRHO-RVDMUPIBSA-N	401.857	4.809	50	20	HJGD	
N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc2ncccc2c1	794885431	RMLGIBIWMUNUQF-OVCLIPMQSA-N	408.211	4.695	50	20	HJGD	
O=C(NNC(=O)c1cnc(-c2ccccc2Cl)s1)Nc1ccc(Cl)cc1	802020115	ISYMUWFCVMFREJ-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc2c(c1)CCC=C2	804209633	HYBBWTNAZQNIIZ-UHFFFAOYSA-N	410.399	4.879	50	20	HJGD	
O=C(NNc1ncccc1F)c1ccc(Oc2cccc(Br)c2)cc1	804216392	JABXJIFAMPRDHT-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
CC(C)[C@H](NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1nncn1C	806184328	ZECUCXLEUYETRA-GXTWGEPZSA-N	421.876	4.553	50	20	HJGD	
CC(C)c1scnc1C(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	813575608	YODULYOPFDPZCN-UHFFFAOYSA-N	407.710	4.693	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H](C=NNC(=O)c1c(Cl)cccc1Cl)CC1CCC1	814833560	LXVVENZTTNGHEC-CYBMUJFWSA-N	414.333	4.793	50	20	HJGD	
CSCc1cccnc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016939	QTGGRZAPXCSKCF-UHFFFAOYSA-N	409.355	4.739	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)Cc1cccc2ccccc12	839423808	ANBCQONEBGXXHT-UHFFFAOYSA-N	420.875	4.819	50	20	HJGD	
Cc1cc2cc(NC(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)ccc2[nH]1	914763880	UJSNFNMSJYLCHG-IYMWYRQMSA-N	402.498	4.619	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2	915989358	GTJPMDFEWJMAKS-LZYBPNLTSA-N	423.831	4.551	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)Cc3c(C)noc3C)c2C)c1	919713354	PNSFNSQBMIJRJP-CIAFOILYSA-N	402.498	4.573	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1	919960532	SODUZURLHRJHHH-UHFFFAOYSA-N	412.898	4.933	50	20	HJGD	
COc1cc(C)c(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1OC	921189431	JKKHNZJRNKYDIT-SRZZPIQSSA-N	423.557	4.652	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3cccs3)CCC2)cc1	1786444004	OKGVAQUKITVEBI-GOSISDBHSA-N	404.963	4.832	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)COc3ccc(C)cc3)cc2)CCC1	1787799230	SHHMGSHPRZQODH-FQEVSTJZSA-N	414.933	4.525	50	20	HJGD	
CC(C)(C)c1cc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)ccn1	1788580499	SIUXWHLRRQJUOC-SFHVURJKSA-N	417.912	4.661	50	20	HJGD	
Cc1cscc1C(=O)Nc1ccc(C2(NC(=O)CO[Si](C)(C)C)CCC2)cc1	1788745298	NLHIOMLLOLVWRF-UHFFFAOYSA-N	416.619	4.656	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3nc(C)c(C)s3)cc2)CCC1	1789982029	JHUPKTDZQYFMBY-KRWDZBQOSA-N	419.978	4.915	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccccc4o3)CC2)C1	1805262694	GIGMJJBSYCJWQM-UHFFFAOYSA-N	416.949	4.543	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cs2)CC1	1824608909	DJIGXVDTYSJAAV-QZTJIDSGSA-N	411.011	4.697	50	20	HJGD	
COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)C(=O)c3ccoc3C)cs2)cc1	8238297	HAQVCHCKNBESCB-XNTDXEJSSA-N	407.451	4.528	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ccc(C2SCCS2)cc1	15743673	AJIHZGANOMUHLZ-UHFFFAOYSA-N	418.609	4.570	50	20	HJGD	
CCCc1c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)[nH]c(C)c1C(=O)OC	71991166	WUXNHVBKJCGZQO-UHFFFAOYSA-N	418.708	4.779	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(N3CCCCCC3)nc2)c1C	107742578	QUESIAFYWOSHQA-HAHDFKILSA-N	419.573	4.514	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c1C	212880279	MZWVBGRGZYAVJU-WQLSENKSSA-N	406.269	4.661	50	20	HJGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1sc(-c2ccc(C)cc2)nc1C	727651110	IKPROFSZTKKPHW-UHFFFAOYSA-N	417.332	4.672	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	729966856	VCNCBCXQTSIGRX-FQEVSTJZSA-N	412.461	4.568	50	20	HJGD	
O=C(NNC(=S)Nc1ccccc1Oc1ccccc1)c1cccc2ncccc12	730153262	CYXLOSXGTJRJIQ-UHFFFAOYSA-N	414.490	4.659	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1	730521542	YYFDSWFTPQSYOP-SFHVURJKSA-N	417.296	4.664	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nnc(Cc3ccccc3F)s2)c1C	730984274	ZRBZAWGIISCGFM-WQRHYEAKSA-N	423.517	4.642	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1	732442420	OBJMBVVIMAXPAC-VXKWHMMOSA-N	421.928	4.954	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC3CCOCC3)cc2)c1C	736517956	TWEDTTBWPNOKAW-PXLXIMEGSA-N	421.541	4.866	50	20	HJGD	
CC(=O)c1ccc(NC(=S)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1	741857250	ZFZAUALXPQGQMZ-UHFFFAOYSA-N	404.495	4.579	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCC3(CCOCC3)C2)c(C)n1C1CCCCC1	742085338	YKBBGNPFYFXDKA-JWGURIENSA-N	409.574	4.936	50	20	HJGD	
O=C(Cc1cc(F)ccc1F)NNc1c(Cl)cc(Br)cc1Cl	742712757	LRGSMTDQKIPIGQ-UHFFFAOYSA-N	410.045	4.720	50	20	HJGD	
CC(C)(C)C[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1	745838979	IQJVGANCFDOOTF-LJQANCHMSA-N	412.921	4.943	50	20	HJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3cc(F)c(F)c(F)c3)cs2)cc1	746702493	WQKNGVYGUGUPPL-UHFFFAOYSA-N	407.417	4.773	50	20	HJGD	
CCN(Cc1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1)C(C)C	746897005	UBALXSFLDVPETI-UHFFFAOYSA-N	404.436	4.564	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)c2ccccc2n1	746965218	AMMGNBUXSWSCHB-LBPRGKRZSA-N	417.296	4.555	50	20	HJGD	
CC(=NNC(=O)CSc1ccc(Cl)cc1)c1sc(-c2cccnc2)nc1C	747607228	JTKODOYOSMZTKZ-UHFFFAOYSA-N	416.959	4.799	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(Oc2ccccc2)ccn1	748074772	BEWXMIRZOJIOQK-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccc(COc2ccc(F)cc2)o1	748173767	KZIQUDMDIBTARH-UHFFFAOYSA-N	423.213	4.656	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cn(-c2ccc(Cl)cc2)nc1C	748754400	RDSABARCIAYAIA-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNC(=O)CC1CCCC1	749449273	FKQCEOGFWIVNTO-UHFFFAOYSA-N	412.843	4.883	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(O[C@H](C)CC)c2)cc1	749451548	IKPKLQPDLDDOAT-YZYPPFLQSA-N	422.481	4.595	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)cc1	753774724	MVSHHYUEDDEUNV-NBVRZTHBSA-N	400.438	4.522	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(OCc2cccnc2)cc1	754154107	WAWLLCWMJCWIGS-UHFFFAOYSA-N	405.351	4.575	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	754467793	QLFDHOJIIBEUSQ-XFKLWTPLSA-N	416.447	4.736	50	20	HJGD	
Cc1c(CSC(C)C)cccc1NC(=O)NNC(=O)c1cc(-c2ccccc2)on1	756762785	REXJYXKNBDCWPD-UHFFFAOYSA-N	424.526	4.758	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)cc2[N+](=O)[O-])c(C)c1	767717831	OOJOHOPIUAABOE-ZSOIEALJSA-N	400.232	4.520	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)C1(CCOCc2ccccc2)CC1	771741794	PUMYNWWYGPWRAV-UHFFFAOYSA-N	411.571	4.515	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C(=O)O)c1)C(=O)c1cccc(F)c1	772172018	MFLWFOXAMZXPMI-ODLFYWEKSA-N	401.393	4.893	50	20	HJGD	
O=C(NCc1ccc(F)cc1F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773078235	NNDMWEPHEYCQJY-UHFFFAOYSA-N	416.318	4.877	50	20	HJGD	
CC(C)(C)Sc1ccc(NC(=O)C(=O)NNc2c(Cl)cccc2Cl)cc1	773696485	BWQQSDJHDGYPGS-UHFFFAOYSA-N	412.342	4.966	50	20	HJGD	
Cc1nn(C)cc1[C@H]1CCCN1C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	776488639	PLLKTYVIAWHQIM-OBVMJLIASA-N	419.573	4.923	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccnc1SCc1c(C)noc1C	777479001	CCMCKLPXVUMLSD-UHFFFAOYSA-N	419.510	4.592	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3coc(-c4ccccc4Cl)n3)c(C)cc2c1	778480382	CKQMGKKTUUTBCG-UHFFFAOYSA-N	408.845	4.617	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1csc(Cc2ccccc2F)n1	779209080	LHUSWIVGFSCWIN-UHFFFAOYSA-N	411.380	4.529	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c3nnc(C)s3)c2C)cc1	782347096	HNVFKSKOLALKSX-YDDPGSGASA-N	406.511	4.774	50	20	HJGD	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NNC(=O)C(C)C	782579692	QISLTZISHNWZIQ-UHFFFAOYSA-N	411.481	4.540	50	20	HJGD	
COC(=O)c1sccc1OS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782983969	VRMSAHBQUNBVPL-UHFFFAOYSA-N	424.390	4.960	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC#N)cc1)c1ccc(Cl)cc1Cl	787146559	ZMNNLTGTQKRDRZ-LERPTODRSA-N	400.265	4.680	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(Cl)s2)c1C	790160629	UKQDDEJOYXWQNY-VEJKBTLKSA-N	405.951	4.593	50	20	HJGD	
N#C/C(=C\c1ccc(Br)cc1C(F)(F)F)c1nnc2n1CCCCC2	794869106	GHIIGCWSZILNKW-XYOKQWHBSA-N	411.225	4.850	50	20	HJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	794873172	QFSKXQOYGJTZQC-VGOFMYFVSA-N	413.405	4.705	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1ccc(F)c(Cl)c1	801504588	CFDKFKHOHPQFQD-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
COc1ccc([C@H](O)C2CCN(Cc3ccc(OCCCCl)cc3)CC2)cc1	812773975	BBYJNLHQCDBEGG-QHCPKHFHSA-N	403.950	4.649	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)NCc1ccco1	915843250	KEOVEAUUHPUZDS-RGEXLXHISA-N	408.461	4.664	50	20	HJGD	
Nc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1	916264262	HBOVWFAOMLVXLE-UHFFFAOYSA-N	415.884	4.539	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N(C)[C@H](C)c3ccccc3Cl)cc2C1	918002898	ZDJPQFHPQUCJMP-CHWSQXEVSA-N	405.951	4.574	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(COC(C)C)cc2)c1C	919936586	GTLUTBYCTNRVTP-AIRTYWKNSA-N	409.530	4.783	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)cc(Cl)c1OCCC(C)C	1339253903	ZSKCFFXREHDMSO-UHFFFAOYSA-N	420.941	4.618	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(C)C)C(C)C)CCC2)cc1	1786444248	RIBMVUQYLZVKHT-PMACEKPBSA-N	422.013	4.551	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cccc2cc[nH]c12	1789092698	ILQXLWNDMPIPNZ-UHFFFAOYSA-N	416.308	4.719	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccoc4c3)CCC2)cc1	1790485646	CTJVZIJNAAPHAV-QGZVFWFLSA-N	411.889	4.593	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCC=C3F)CCC2)cc1	1790488605	YTXGRSCLPRXFFT-IERDGZPVSA-N	410.892	4.884	50	20	HJGD	
C[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)C3(C)CCCCC3)cc2)CCC1	1791535021	WRVIBUCLZHAPAY-OAHLLOKOSA-N	421.379	4.874	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccccc3)CCC2)cc1)C(Cl)Cl	1791607173	KRGKOYXREBCNPV-ZWKOTPCHSA-N	417.336	4.728	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)c(O)c1	1792091252	VCQBWUGLBLJVDG-UHFFFAOYSA-N	414.933	4.713	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)[C@H](CC)c3ccccc3)CC2)C1	1806156481	XYXPMANNETWYND-RTWAWAEBSA-N	419.009	4.819	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1	1822017439	VWKAWIZWMBJVFW-QSUVVDIXSA-N	420.985	4.636	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1	1830312079	FWUVZDPOFIFBOD-COPCDDAFSA-N	419.009	4.817	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1	7257985	YRVXSEBRJJBIJO-UHFFFAOYSA-N	403.551	4.707	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C	10408006	STVSQIFQVFJBBZ-NGWPFTMJSA-N	421.419	4.757	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)c(C)n1C1CC1	16882112	BXSUKEMVXZPQHJ-LZYBPNLTSA-N	420.494	4.520	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1	59269536	LXBAXQZQXZKOHJ-OEBVFIGYSA-N	407.473	4.922	50	20	HJGD	
O=C(Cc1ccc(F)cc1)NN=Cc1ccc(-c2cccc(Br)c2)o1	725823226	WUWTZWHKDNBDND-UHFFFAOYSA-N	401.235	4.541	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cccc(OCCCC#N)c1	726741026	AOKZYVBTSIFHRD-BOPFTXTBSA-N	409.873	4.885	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)c1ccc(SCc2ccccc2)cc1	727715644	WOVIDLJLIXEIIZ-UHFFFAOYSA-N	404.535	4.763	50	20	HJGD	
CC(C)Sc1ccc([C@H](C)NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	728957061	NBKPXALZENHGSA-SCUMNGBJSA-N	415.603	4.795	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc3ncccc3c2)c1C	729800978	NSQTVGBDJXWRGY-QQZPLFJDSA-N	403.482	4.511	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cc3ccccc3s2)c1C	730505334	CRHUCVUSGYQWFQ-DDLUMYACSA-N	407.539	4.750	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	730590466	NFKIOWCCXOIWHJ-OALUTQOASA-N	413.304	4.640	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2F)ccc1OC(=O)c1ccc(F)cc1	732577426	ZQDDGONQOUPHJH-ATVHPVEESA-N	419.383	4.982	50	20	HJGD	
O=C(NN[C@@H](Cc1ccccc1)c1ccccc1)c1cc(F)ccc1Br	732919626	NZHJNLLFIUNTDW-FQEVSTJZSA-N	413.290	4.807	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3ccsc3s2)c1C	735460662	DGAUDLHMNAWJBS-IYVNWDGISA-N	400.529	4.529	50	20	HJGD	
N#C/C(=C\c1cnc2ccccn12)C(=O)Nc1nc(-c2ccccc2Cl)cs1	740764190	NQPWTOIBVBSVJD-UKTHLTGXSA-N	405.870	4.657	50	20	HJGD	
O=C(NNC(=O)c1ccccc1Sc1ccccc1)c1cccc(OC(F)F)c1	741920331	KYYNMIMVABTZLF-UHFFFAOYSA-N	414.433	4.514	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1nc(-c2ccccc2)cs1	743598302	HFOHLPFZXGARLL-OAHLLOKOSA-N	416.506	4.669	50	20	HJGD	
O=C(NNC(=O)N[C@@H]1CSc2ccccc21)Nc1ccc(-c2ccccc2)cc1	745830591	BIBCUFJVXCHMRQ-LJQANCHMSA-N	404.495	4.536	50	20	HJGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)c1	745839775	NBOYJAHFXVWKQA-LJQANCHMSA-N	416.953	4.528	50	20	HJGD	
Cc1c(COc2ccccc2)cccc1NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	746627768	WVQBTQVQCUOILN-MTJSOVHGSA-N	410.477	4.638	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccsc2NC(=O)c2ccccc2Cl)c1	748910811	ARSDDQBAUOPTKK-UHFFFAOYSA-N	419.865	4.558	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(C#N)c(Cl)c2)cnn1-c1ccc(Cl)cc1	753314727	AYOLSGFQFPTLPJ-UHFFFAOYSA-N	414.296	4.931	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccccc1OCc1ccc(F)cc1	755859250	FVKJKSDCBNUVDO-UHFFFAOYSA-N	411.380	4.637	50	20	HJGD	
COc1ccccc1-c1cccc(NC(=O)NNC(=O)c2cc3ccccc3o2)c1	756513545	LWTKZOOFSDEBFN-UHFFFAOYSA-N	401.422	4.575	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)N(CC(F)(F)F)C1CC1	758434727	UGPADSCRSDLRKZ-PTNGSMBKSA-N	416.447	4.630	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1-c1ccccc1	760464241	ZBNXKPZYKRCFTE-UHFFFAOYSA-N	418.419	4.862	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(F)cc1	761591336	NMDHOMRHIPUVOJ-UHFFFAOYSA-N	422.382	4.790	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H](CO)c1ccccc1	761619869	ZWPZXEFTRJYAHT-ZFWWWQNUSA-N	404.841	4.761	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2csc(Cl)c2Cl)c1Cl	761750187	XMMUDNAQEQZJJM-UHFFFAOYSA-N	418.520	4.756	50	20	HJGD	
Cc1cc(NC(=O)NNc2nc3ccccc3s2)ccc1NC(=O)c1ccco1	769983678	OVOZKLUXUINREE-UHFFFAOYSA-N	407.455	4.599	50	20	HJGD	
C[C@H](CBr)CN1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1	770666516	MFGBTUGSFALVLN-CQSZACIVSA-N	407.318	4.633	50	20	HJGD	
CN(C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CCC(CO)CC1	772424294	UBPSVZQYZLUIMQ-KOHJWAIASA-N	410.889	4.921	50	20	HJGD	
CSc1cc(/C(C#N)=C\c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)ncn1	773171204	IEDJPCJSMYVUHM-YBEGLDIGSA-N	403.467	4.939	50	20	HJGD	
CO[C@]1(C)C[C@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1(C)C	773354194	WBRQLAHEFMNGBV-BLLLJJGKSA-N	416.412	4.602	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	774134380	KKQOCVGEJPYOSU-WQLSENKSSA-N	412.269	4.716	50	20	HJGD	
CCCN1C(=O)CCc2cc(NC(=O)NNc3cccc(C(F)(F)F)c3)ccc21	775706106	GUHUPYCRVJIQFR-UHFFFAOYSA-N	406.408	4.543	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CCCc2cc(Cl)sc2Cl)c1	788253995	DWSBUTWNNNSAGB-UHFFFAOYSA-N	415.346	4.614	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccnc(Oc2ccc(F)cc2F)c1	788740300	XLDDYBLNMTZEDT-UHFFFAOYSA-N	407.380	4.849	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)ccc1Cl	790174809	LLEFFMRWWWTREO-UHFFFAOYSA-N	416.890	4.811	50	20	HJGD	
N#C/C(=C\c1ncc(I)s1)c1nc2cc(F)ccc2s1	794706173	FFXSNOMZQVMIOJ-XVNBXDOJSA-N	413.240	4.561	50	20	HJGD	
CC(C)CCC[C@@H](C)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	797612205	UDNPDAOAPAMMKG-DDNKWHRWSA-N	403.530	4.702	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccnc(OCc2ccccc2)c1	800593375	FOXXWKRFBKDHKT-UHFFFAOYSA-N	404.257	4.511	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccoc2)cc(Br)c1OC(F)F	806557485	UGPGXKAGZXWVNT-XGICHPGQSA-N	412.186	4.832	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc3c2COC3=O)c(C)n1C1CCCCC1	809224927	HVAJXFGMYDTXRF-PDGQHHTCSA-N	403.482	4.826	50	20	HJGD	
COc1cc(NC(=O)NN=Cc2csc(-c3ccsc3)n2)c(OC)cc1Cl	814995679	NMHYUGWEUCUMQL-UHFFFAOYSA-N	422.919	4.698	50	20	HJGD	
C[C@H](NCc1ccc(OCCCCl)cc1)c1ccc(N2CCCOC2=O)cc1	816627521	QAEMCMRTAUREIS-KRWDZBQOSA-N	402.922	4.892	50	20	HJGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(F)(F)F)cc2)s1	817914606	VSQAXAFVHIGDNL-QINSGFPZSA-N	408.445	4.884	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3ccccc3)CC2)c1C	881442295	DIOJTUNWYCUXQQ-IERINAHZSA-N	405.542	4.626	50	20	HJGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)o2)cc1	912791729	WRVIWFPPFWMNEK-UHFFFAOYSA-N	423.687	4.956	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1csc(Br)c1	914555414	PCDFGJKBAXSFDY-UHFFFAOYSA-N	406.330	4.706	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)OCc2nnc(C(C)(C)C)o2)c1C	914882421	NZJWTBNLYMZURO-UNOMPAQXSA-N	418.497	4.733	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OC(F)F)cc1OC	915983773	WEQFZENZQFXVJD-GHXNOFRVSA-N	408.788	4.504	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)c3ccc4ccccc4n3)c2Cl)c1	916244150	NGICPHCGPBTEDI-UHFFFAOYSA-N	417.900	4.763	50	20	HJGD	
COc1cccc2cc(C=NNC(=O)c3cc(-c4ccncc4)nc4ccccc34)oc12	916284884	XXPAHPRVEOWCOT-UHFFFAOYSA-N	422.444	4.816	50	20	HJGD	
CCCC(=NNC(=O)Cc1nc(O)c2c(C)c(C)sc2n1)c1ccc(Cl)cc1	916322578	APRJCUWFTRUORP-UHFFFAOYSA-N	416.934	4.530	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1	917145882	VLJSVOZFRIMLBG-VBKFSLOCSA-N	406.873	4.697	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)c2nc(C)cs2)c1C	918753826	QQGJZROOHMNAAY-PXNMLYILSA-N	410.465	4.782	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(F)c(F)c2)c1C	918817159	ADNHKLVZAJJSOY-XNQOJBRBSA-N	402.441	4.802	50	20	HJGD	
CC(C)C(=O)NNC(=O)c1oc2ccccc2c1CSc1ccccc1Cl	921165997	ALMYJWNSUAWUGZ-UHFFFAOYSA-N	402.903	4.796	50	20	HJGD	
CCN(CC)C1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	1190021662	JFVLGTKTUVYNOW-UHFFFAOYSA-N	422.485	4.839	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cnn1C	1322759071	YZHUEDMQISJCEG-SKCQWOFPSA-N	421.932	4.574	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C)CC1	1824611111	XAXKGSFCAQDQCN-LEWJYISDSA-N	422.972	4.775	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1	10387389	DOSXGZCJPQVLBH-UEAVEIDSSA-N	412.445	4.525	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F)O[C@@H](C)C2	215563177	GKKMAUPMRRMZTP-IYVNWDGISA-N	402.372	4.583	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1cc2ccccc2nc1Cl	730568311	HRVWOTXTRNQXCM-UHFFFAOYSA-N	406.898	4.705	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)c1C	730587855	RRKWWFIBAKWJSZ-GFCCVEGCSA-N	410.370	4.807	50	20	HJGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1ccc2c(c1)Nc1ccccc1S2	731561467	HFVABHGVYBWVGC-UHFFFAOYSA-N	403.511	4.510	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccc(OC)cc23)c1C	733176996	ODUWXBIWINAERL-FYJGNVAPSA-N	418.541	4.661	50	20	HJGD	
COC(=O)N(C)Cc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	735369084	HUFJXAQFWFBKLD-UHFFFAOYSA-N	418.497	4.628	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1C	735702891	RNVWBKHXMRXIHB-KDRVJRGFSA-N	420.340	4.579	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c1C	737609393	NXOCCBKCWSODCT-UNDMEPJUSA-N	419.569	4.932	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1	742035303	GMXPDELWKGQVEU-UHFFFAOYSA-N	401.293	4.885	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(CC(F)(F)F)c2)c1C	742827370	ZVCOGOIDHQZVSB-GDXCHIGESA-N	419.447	4.963	50	20	HJGD	
O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)NNc1ccc(F)cc1	745921854	TUVGLLPWKHKIFP-UHFFFAOYSA-N	410.396	4.794	50	20	HJGD	
N#C/C(=C/c1coc2ccccc12)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	746523700	WKJMDYVTRSRLBB-QPEQYQDCSA-N	403.419	4.513	50	20	HJGD	
COc1sc(C=NNC(=O)c2c(Cl)cccc2Cl)cc1Br	746576673	QCZRGTBPFYCNGU-UHFFFAOYSA-N	408.104	4.590	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccccc3)on2)c1C	747987508	KSJPUDQWMWJOCU-IWEBCOIVSA-N	404.470	4.513	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(-c2ccccn2)nc2ccccc12	748058665	UUDGZFIJWUMWEG-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1	748340156	VEPVXSOHSGBARM-UHFFFAOYSA-N	414.252	4.513	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2ccc(OC(F)F)cc2)cc1	748649242	OBSFOLWHMORZPL-UHFFFAOYSA-N	403.454	4.714	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1[nH]c2ccccc2c1Br	748741018	UBCIQYDWCRYGHC-UHFFFAOYSA-N	423.108	4.758	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NNc1cccc2cnccc12	748763580	AFNWWZKRSUPTRI-UHFFFAOYSA-N	400.916	4.759	50	20	HJGD	
Cc1ccc(C(=O)NNc2cccc3cnccc23)cc1NC(=O)Nc1ccccc1	748767896	YDOQBLACHKACNX-UHFFFAOYSA-N	411.465	4.944	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)CC#N)c(C)n1-c1cc(Cl)ccc1Cl	751393334	SJTOBCJDTHCIHZ-PFSWGADMSA-N	401.297	4.726	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc3nc(O)oc23)c(C)n1-c1ccccc1F	752988213	GTZOELJOVIKKLF-WJDWOHSUSA-N	416.412	4.626	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ncc(C)cc2Br)c1C	754421435	DWXXGNCYSSXHBO-SXGWCWSVSA-N	401.308	4.527	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccnc2-c2ccccc2)c1C	755157351	HCXRYTDCNLSKFB-QWQBBLJPSA-N	414.509	4.920	50	20	HJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3ccc(C(F)(F)F)nn3)c2c1	755187847	QKUWDJXBTMGCDK-UHFFFAOYSA-N	423.398	4.776	50	20	HJGD	
Cc1cc(Sc2ccccc2)ccc1NC(=O)NNC(=O)CCc1ccccc1O	756212361	OYRPTTFGICBICZ-UHFFFAOYSA-N	421.522	4.637	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1	760131954	WJTYALJASJIOLG-UHFFFAOYSA-N	409.490	4.945	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)c2cccnc12)c1ccc(F)cc1Br	760252929	GNFYIPBTIPQSBD-UHFFFAOYSA-N	406.642	4.554	50	20	HJGD	
O=C1OCc2ccc(S(=O)(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)cc21	766570368	LONRDXMBGPUXGT-UHFFFAOYSA-N	415.361	4.815	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(Br)c(Cl)c1F	768215322	CNGRAXYLLWNUDL-UHFFFAOYSA-N	413.461	4.700	50	20	HJGD	
CCc1c(C(=O)NNc2nc3ccccc3cc2C)cnn1-c1ccc(Cl)cc1	771447182	AHFBFRIFHIHTKE-UHFFFAOYSA-N	405.889	4.702	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc2ccc(Br)cc2n1)c1ccccc1	771520130	KLWFGGRQWWKNRY-MPMPPSQCSA-N	406.283	4.782	50	20	HJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)C(=O)c1cccc2c1OCCO2	771521566	SYNKNGPWNYEMFU-SSZFMOIBSA-N	413.458	4.624	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)cc1O	776258983	WYLFVFDXMICQMW-WUXMJOGZSA-N	424.197	4.555	50	20	HJGD	
CCCc1nc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)s1	777043899	QEDSVLJXEHYGCS-WAGPWIPHSA-N	412.559	4.547	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1ccccc1OCc1ccc(Cl)cc1Cl	781814481	NYISKLZBKBFBEK-UHFFFAOYSA-N	423.687	4.773	50	20	HJGD	
O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(S(F)(F)(F)(F)F)cc1	782988405	SLFYYDPRLJRBJI-MGPQQGTHSA-N	419.437	4.580	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1ccc(SCc2csc(C)n2)cc1	788193547	TZFDISZCGWCPIH-UHFFFAOYSA-N	403.504	4.648	50	20	HJGD	
CCCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	790165641	FNPBZGHYKKWUEK-DEYGKZMTSA-N	407.558	4.967	50	20	HJGD	
CC(C)CCn1nc(C(=O)NN=C[C@H](c2ccccc2)C(C)C)c2ccccc2c1=O	794483121	UTMITYMUXCSOOW-QFIPXVFZSA-N	418.541	4.598	50	20	HJGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)c2cc(F)ccc2Br)C1	799112464	QPUQCCOTUNCLLS-CYBMUJFWSA-N	404.283	4.735	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC(F)(F)C1	800324405	WTALIBGUFUYALM-QMMMGPOBSA-N	415.815	4.502	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1	805811149	MECUCSDKZGKDPH-OAQYLSRUSA-N	402.655	4.653	50	20	HJGD	
CCCCCC(C)=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1	818200950	JTAYAHFGNRQAGH-UHFFFAOYSA-N	415.559	4.790	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2c3c(nc4ccccc24)CC[C@H](C(C)(C)C)C3)n1	877464470	JXKCLHYAYYGDAA-INIZCTEOSA-N	403.530	4.550	50	20	HJGD	
COc1cc(C(=O)NN=C(C)c2sc(C(C)(C)C)nc2C)ccc1OC(C)C	915111722	LHOPOZQWQIDCMC-UHFFFAOYSA-N	403.548	4.699	50	20	HJGD	
CC[C@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)c1ccccc1OC	916496947	YSZPZSPMHJAJOE-LBPRGKRZSA-N	403.697	4.828	50	20	HJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)N[C@@H]3CCCc4occc43)cc2C1	916577305	XHPLWIUIBGSERA-GDBMZVCRSA-N	415.559	4.514	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1-c1ccccc1)c1ccccc1	920065508	SZCGCSTXPICTQI-AOHITCTBSA-N	411.292	4.963	50	20	HJGD	
Cc1c(/C=C(\C#N)c2nnc(COc3ccccc3-c3ccccc3)o2)cc(C#N)n1C	1322069151	JBYFUEYOJYYMGY-UDWIEESQSA-N	421.460	4.898	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC)nc3)cc2)CCC1	1787254354	AGUWYNSIZOLVJG-FQEVSTJZSA-N	413.949	4.799	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccoc4c3)cc2)CCC1	1788485473	JUPDHTKQHCZNNH-QGZVFWFLSA-N	411.889	4.593	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)c4n[nH]cc4c3)CCC2)cc1	1790489835	MVEDIFGBHVHCDW-IBGZPJMESA-N	424.932	4.636	50	20	HJGD	
C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl	1800012331	OWVQBIHEJBCMNO-AKHDSKFASA-N	417.059	4.693	50	20	HJGD	
CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)CCl)[C@H]1c1cccnc1	1812694533	UNEVEBAZFGJETD-IHPCNDPISA-N	422.013	4.569	50	20	HJGD	
Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)CCl)CC2)ccc1F	1830563878	CAFTUYKIUIOYEG-HXUWFJFHSA-N	422.972	4.632	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)c1oc2ccccc2c1COc1ccccc1Cl	726521885	ZDQGLHTWAFXXRH-UHFFFAOYSA-N	416.861	4.835	50	20	HJGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	727687837	QERYDWFLQLIEGG-CQSZACIVSA-N	420.296	4.594	50	20	HJGD	
CCN(Cc1ccc(Cl)cc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727847042	PLHYNHAQWOQWEV-UHFFFAOYSA-N	400.693	4.523	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](n3ccnc3)C2)c(C)n1C1CCCCC1	728543052	UEHVVCJESRPLGR-CVGPFBNFSA-N	405.546	4.577	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@](C)(O)c2ccccc2)c(C)n1C1CCCCC1	734017908	SQFYVNXQJFGMIF-WZLQQZPBSA-N	405.542	4.541	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(F)F)cc1	734305178	LIWYYQUQWWCYAH-OVCLIPMQSA-N	421.241	4.582	50	20	HJGD	
O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NNc1c(F)cccc1F	735697746	DLEYNKMNSQSPLK-UHFFFAOYSA-N	401.360	4.669	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCCC[C@@H]2c2ccc(C)o2)c1C	737742023	CUWDWBSZLONGQR-PHCAOYFPSA-N	409.530	4.704	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccc3OC)C2)c1C	737746905	OAVRGAXEENFXMG-QCBCRBAMSA-N	405.542	4.837	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F	741658796	GLGOZVJPYWHANV-JTQLQIEISA-N	419.230	4.967	50	20	HJGD	
O=C(NNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)NC1CCCC1	741677492	AYBLBSURPKAHHS-UHFFFAOYSA-N	408.285	4.672	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cc(F)ccc2Br)c(OC(F)F)cc1C	743439589	CIGDHIOFAVIUEX-UHFFFAOYSA-N	415.209	4.570	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(OC(F)(F)F)cc2)c1C	744332894	QTILALWNMBWEAH-FBJMNJBLSA-N	422.403	4.724	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(OC(F)(F)F)cc2)c1C	744332897	QTILALWNMBWEAH-NGWPFTMJSA-N	422.403	4.724	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCC(C)(C)c3ccccc32)c1C	745807031	UVZKKFGEBOJLKR-WNPPMXKSSA-N	405.542	4.587	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccccc2SCc2ccc(C#N)cc2)o1	746524667	CNNDBWUHWQJBCO-UHFFFAOYSA-N	417.494	4.591	50	20	HJGD	
COc1cccc(Oc2ncccc2CNC(=O)NNc2ccc(Cl)c(F)c2)c1	746766498	DSLXCXUSIJLPRY-UHFFFAOYSA-N	416.840	4.501	50	20	HJGD	
COc1ccc(NNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	746883650	SJHHLVHGWUZHLH-UHFFFAOYSA-N	407.417	4.523	50	20	HJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746895512	DVHWNXIQWQSDDK-UHFFFAOYSA-N	402.401	4.766	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccccc1C(=O)c1ccc(F)cc1	747609198	PRXGHTSKCMRIDR-UHFFFAOYSA-N	402.347	4.832	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ncc(C(C)(C)C)o2)c1C	747674266	PZXKHWVHASWJDD-GNEHONMRSA-N	413.518	4.809	50	20	HJGD	
Cc1cc(-c2cc(C(=O)NNc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1	748106539	WJPPCUSDTGSHIT-UHFFFAOYSA-N	414.469	4.518	50	20	HJGD	
Cc1c(NNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cccc1[N+](=O)[O-]	748673722	PAQGNFZWQKXCTN-GJZGRUSLSA-N	408.483	4.706	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NNc1ccc(OCC(F)(F)F)cc1	748694892	GRMJDWDCVQDQTB-UHFFFAOYSA-N	416.399	4.817	50	20	HJGD	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NNc1ccc(OCC(F)(F)F)cc1	748701796	BVZXBPPMJFYUPH-XETPBLJFSA-N	408.420	4.962	50	20	HJGD	
Cc1ccccc1[C@@H]1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)C1	750768241	DZEKSWLZBYTMCY-OEGZBIEKSA-N	417.553	4.515	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Cc1csc(-c2ccc(C)o2)n1	753175469	BJHHNWXYPFMVHV-UHFFFAOYSA-N	420.332	4.722	50	20	HJGD	
CC(C)c1ccc(C2(O)CCC(=NNC(=O)c3cc(-c4cccs4)[nH]n3)CC2)cc1	753931484	ZGNKXPQFZJSWPR-UHFFFAOYSA-N	422.554	4.809	50	20	HJGD	
COc1ccccc1-c1cccc(NC(=O)NNC(=O)c2ccc(Cl)cc2F)c1	756513432	JRIOINSVOSPHEW-UHFFFAOYSA-N	413.836	4.621	50	20	HJGD	
Cc1nc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)no1	759514772	ITSMYYIMIIGSSC-AYCSXLNKSA-N	410.861	4.650	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)ccc1Br	760464230	YTMAJDMCCDDHGD-UHFFFAOYSA-N	409.152	4.811	50	20	HJGD	
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NNc3c(Cl)cccc3Cl)C2)c1	763613081	WLCGDVCJCMFUII-AWEZNQCLSA-N	421.328	4.689	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773645926	QDHZRBNXDLWVQJ-UHFFFAOYSA-N	413.343	4.873	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1cccc(Oc2cccc(C(F)(F)F)c2)c1	781820415	RJWFXHROERQZRO-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
C[C@H]1CC/C(=C\C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	783461536	RUNCHDFTOOHWAP-SPQRFVMMSA-N	405.410	4.895	50	20	HJGD	
Cc1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c(Cl)c1C	783649301	IEYQZCKUVMIITE-UHFFFAOYSA-N	421.810	4.585	50	20	HJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cnc2c(C)cc(Br)cn12	783698246	YTMSEJRQPIJWPH-OVCLIPMQSA-N	409.287	4.568	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	787156316	XPXCTSNCDHORGE-QLENYVDCSA-N	417.421	4.648	50	20	HJGD	
COc1cc(OC)c(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1	794701352	TUFYVGQPYOUFDH-PXNMLYILSA-N	403.463	4.772	50	20	HJGD	
CC(C)(C(=O)NNc1ncccc1F)c1csc(-c2c(F)cccc2Cl)n1	811522276	HOOCDQPLFJXCRT-UHFFFAOYSA-N	408.861	4.558	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c(OC)c1	812246010	ASSNJFYSOYCZEX-YHYXMXQVSA-N	413.193	4.944	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NNc3cccc(Cl)n3)s2)cc1	814299960	DXVQCAJKQYLKBC-GFCCVEGCSA-N	417.922	4.563	50	20	HJGD	
Cc1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1C	855278833	XTRRBVMFAREEEO-CNSRZQHFSA-N	421.541	4.855	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)c2cc(Cl)ccc2Oc2cccc(Cl)c2)n1	857435434	BASVXYBFSBEEAD-UHFFFAOYSA-N	403.269	4.949	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)c1cc2c(s1)CCC2	916318913	QAXUJPFIBBMSER-UHFFFAOYSA-N	412.946	4.516	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2-c2ccccc2)cc1	917619454	KTUZENHDDPXOEH-UYRXBGFRSA-N	414.461	4.925	50	20	HJGD	
Cc1cc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n2nc(C)cc2n1	917634859	FEIBNIVGHFPULE-INIZCTEOSA-N	414.840	4.818	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccc(Cl)cc2)n1)c1cc2c(s1)CCC2	918709398	IBPINKJRTBMCHH-UHFFFAOYSA-N	417.943	4.690	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccncc2)c(C)n1-c1ccc(Cl)cc1	920441811	DTHMWFCGAJEUMI-DEDYPNTBSA-N	404.901	4.708	50	20	HJGD	
O=C(NCCCCOc1ccccc1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	1252317123	IYRKCMGAGUIZFH-UHFFFAOYSA-N	418.497	4.549	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1cccc(F)c1Sc1ccccc1	1337499359	GETDUMNJPUPTEO-UHFFFAOYSA-N	418.291	4.891	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccc(-c3ccccc3)s2)c1	1338512484	IQSWTGXUCCVGHV-UHFFFAOYSA-N	415.312	4.950	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCOc3ccccc3)CCC2)cc1	1790485813	MGXLMRQLORUXTN-HXUWFJFHSA-N	414.933	4.607	50	20	HJGD	
Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@](C)(Cl)CCl)cc3)CCC2)o1	1790494846	LVHXHXBJFMAYEZ-HXUWFJFHSA-N	423.340	4.501	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C)c2Cl)n[nH]1	1823183903	NZRMKEWYNBFDFE-GOEBONIOSA-N	423.344	4.695	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C)CC1	1823894870	ZHXGSUMLTPKGNW-SFTDATJTSA-N	422.972	4.775	50	20	HJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	1516480	WSWWAGVHMXLIPO-DTQAZKPQSA-N	403.394	4.799	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCCC3)cc2)c1C	10237436	JPSOZGQTLFXTHX-OMNSNBSWSA-N	420.557	4.848	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2F)c(C)n1C[C@H]1CCCO1	24020080	CELZYAXKNYRLNB-BRVCPTFNSA-N	401.869	4.622	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2c(C)cc(C)cc2C)c1C	24196054	PAKZCXJKZNCMAU-AZHVYHFMSA-N	422.525	4.571	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cnc(-c2ccccc2)s1	727263725	GRWAAXFKUWUKEH-YBEGLDIGSA-N	405.479	4.722	50	20	HJGD	
CCOc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)ccc1C	727342632	PUMKBEKDIWPISX-PZDOZLBDSA-N	407.514	4.537	50	20	HJGD	
Cc1ncsc1CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	729406045	OTWYMGDYQBPUKA-MFOYZWKCSA-N	410.930	4.736	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(OC(C)C)CC2)c1C	730509208	QLVQSDGNSSWBBQ-PXLXIMEGSA-N	405.542	4.726	50	20	HJGD	
COc1ccccc1C(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1cccc(C)c1	731488191	YKBWMKVAPCIIRA-UHFFFAOYSA-N	424.504	4.679	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(N(C)C(C)C)c2)c1C	731585092	MZGUYFLNNXDHEA-IUOVYFEOSA-N	408.546	4.703	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2cccc(OC)c2OC2CCCC2)cc1	733280326	ZIOSGICNYDYIMS-HKWRFOASSA-N	420.509	4.639	50	20	HJGD	
CC[C@@H](C#N)Oc1cc(CNC(=O)NNc2ccc(Cl)cc2Cl)ccc1OC	733657640	XJCQABPDRBPKCM-AWEZNQCLSA-N	423.300	4.509	50	20	HJGD	
COc1ccccc1-c1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)cc1	741727314	JSAZURBSDBPFIV-RIWZNOJBSA-N	424.504	4.665	50	20	HJGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNC(=O)CCSc1ccc(F)cc1	743290207	DNWCGEJZIODADT-MRXNPFEDSA-N	417.550	4.534	50	20	HJGD	
CC(C)(C)C[C@H](NC(=O)NNC(=O)c1cccc(Br)c1)c1ccccc1	743686448	CMINBTHDEVDUHT-KRWDZBQOSA-N	418.335	4.571	50	20	HJGD	
COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)ccc1SC	746487231	VNHMAKAXDPUNRB-UHFFFAOYSA-N	406.507	4.613	50	20	HJGD	
COc1ccc(Oc2cc(CNC(=O)NNc3ccc(Cl)c(F)c3)ccn2)cc1	746743599	GZIDCEOLPIYQGX-UHFFFAOYSA-N	416.840	4.501	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(SC(F)(F)F)cc2)cc1C(F)(F)F	746897412	WCHGPNRHTLQAAD-UHFFFAOYSA-N	405.323	4.946	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1oc2ccccc2c1COc1ccccc1	747994497	AVFQKYJZQSDEPG-UHFFFAOYSA-N	403.394	4.677	50	20	HJGD	
Cc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Br)cc3F)s2)o1	748187157	JFTQFYPTSRRVAN-UHFFFAOYSA-N	410.268	4.678	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3cccc4cnccc34)cc(-c3ccco3)nc21	748762847	BKMNHXSQGKIGJQ-UHFFFAOYSA-N	412.453	4.577	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc(C2CC2)nc2ccc(F)cc12	751060590	ZCIRJBKQROSVAL-UHFFFAOYSA-N	400.251	4.771	50	20	HJGD	
Cc1cnc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(Br)c1	754423780	HILRODTXFNAZCD-IUXPMGMMSA-N	415.335	4.773	50	20	HJGD	
N#Cc1cccc(Oc2ccc(NC(=O)NNC(=O)CCCc3ccccc3)cc2)c1	756490077	SSTAMMDITOSRPB-UHFFFAOYSA-N	414.465	4.526	50	20	HJGD	
O=C(NNC(=O)c1cccc2ccccc12)Nc1ccc(CCC(F)(F)F)cc1	757613439	RQBVOUCVFJEMOH-UHFFFAOYSA-N	401.388	4.801	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2[nH]c(-c3cccs3)nc12	759510021	KJMXVWQECQKJGF-UHFFFAOYSA-N	413.846	4.610	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OC[C@@H]2CCO[C@H]2c2ccccc2)c1C	769348894	PJHRZDMAKIVVHL-GFLNNVRGSA-N	422.525	4.540	50	20	HJGD	
Cc1ccc(Oc2ccc(NC(=O)NNc3ccc(OC(F)(F)F)cc3)cc2)nn1	770039185	OENLITQHEIGDOP-UHFFFAOYSA-N	419.363	4.625	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1ccc2nc(C3CC3)oc2c1	771177041	XQZMBYYCAGBSSU-UHFFFAOYSA-N	405.227	4.755	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C)c1ccc(C#N)c(Cl)c1	774149734	OGZPMVFVPIQLSI-OBLBUWMUSA-N	424.932	4.798	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(C(F)(F)F)cc1Cl	774805523	FKBFOLAHGPXXKP-UHFFFAOYSA-N	406.791	4.516	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNc3cccc(C(F)(F)F)c3)cn2)cc1	775504484	YQFBKYFAKIPSKO-UHFFFAOYSA-N	413.359	4.913	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1	777464489	WMSGYOIDEUIFOU-IWEBCOIVSA-N	424.426	4.735	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(Oc2ccccc2)o1	779704673	VPGCLLPQHHXCNC-FOWTUZBSSA-N	404.422	4.983	50	20	HJGD	
CC[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978566	CJRJMSHCKCJTFM-KBPBESRZSA-N	409.442	4.658	50	20	HJGD	
CC(C)(C)Cc1nc2cc(NC(=O)C(=O)NNc3ccc(C(C)(C)C)cc3)ccc2o1	784804255	FTOBAHPHBYHJSV-UHFFFAOYSA-N	422.529	4.796	50	20	HJGD	
COCCc1ccnc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	795615028	IFEJEBIRNZEFPD-UHFFFAOYSA-N	418.409	4.729	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N(CCc1ccccn1)Cc1ccncc1	798093888	XNOYTMCNJMHEBX-HXUWFJFHSA-N	401.601	4.762	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	802829335	PZMVCENXAGIMRL-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	805375684	UCTIKYVJGFDNCK-UHFFFAOYSA-N	419.441	4.613	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)N[C@@H]1CCOC2(CCCCC2)C1	812174624	VHZPEBFDBMJDLP-CYBMUJFWSA-N	416.747	4.611	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3cccc(OCC#N)c3)c3ccccc3n2)cc1	915943020	QQTFPVCDKZEXMF-UHFFFAOYSA-N	420.472	4.877	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	916353043	AGTWNNZCUPQZTH-ZDUSSCGKSA-N	412.946	4.784	50	20	HJGD	
Cc1cccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)c2ccccc2C)c1	916362346	XWYGXJZPIDRDHO-UHFFFAOYSA-N	408.505	4.979	50	20	HJGD	
Cc1ccc(-c2nc(/C=C(/C#N)c3nc(N)nc(Nc4ccccc4)n3)cs2)cc1	918735215	FAZONDOTNRJDSD-WJDWOHSUSA-N	411.494	4.694	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2N2CCCC2)c(C)n1CC(C)C	919993228	ZDVFPPWUQBXAIA-OEAKJJBVSA-N	404.558	4.585	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNC(=O)c2ccccc2Cl)c(C)n1C1CCCCC1	1115828577	FFYFEMQPDNNRRX-QGOAFFKASA-N	424.932	4.632	50	20	HJGD	
Cc1ccc(NNC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1Cl	1318094542	GUCPOWLCRKXXEW-UHFFFAOYSA-N	402.285	4.517	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2csnn2)c(C)n1-c1cccc2ccccc12	1321693185	HUERHOQUSHTDKO-ODLFYWEKSA-N	414.490	4.749	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)/C=C/C(C)C)cc2)CCC1	1792061148	JEGUHHCVPDFFRE-SCBHQAGPSA-N	407.352	4.506	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)C[C@H](C)c3ccccc3)CC2)C1	1806162688	SGEJSZPBGOUHER-PZJWPPBQSA-N	419.009	4.819	50	20	HJGD	
CCCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](Cl)CC)CC2)cc1	1830310298	RJNLLWZECUFPDS-VXKWHMMOSA-N	419.009	4.890	50	20	HJGD	
Cc1[nH]ccc1C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1843547677	AROHWOQWFOFRBV-UHFFFAOYSA-N	422.013	4.890	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)c1	16411047	IJINQODLHLBCBY-HYARGMPZSA-N	419.488	4.848	50	20	HJGD	
N#C/C(C(=O)CSc1cc2c(cc1Cl)OCCO2)=C1\Nc2ccccc2S1	727268551	PVHJENGUAZIOHG-ODLFYWEKSA-N	416.911	4.725	50	20	HJGD	
CSCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	727343353	ARJNLFIADPUZKE-AFHVAHMMSA-N	409.555	4.693	50	20	HJGD	
C[C@@H](Sc1ccc(Br)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1	728921992	KQJCQFBLYVRJTC-LLVKDONJSA-N	400.301	4.772	50	20	HJGD	
Cc1cc(C)cc([C@@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1	730553983	UMZCACXPTOSKDL-KMUCBOENSA-N	423.520	4.865	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cnc3ccccc3c2)c1C	730698873	LHOQOSBQBQWCOU-ZTBJCTOSSA-N	403.482	4.511	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(F)(F)F)ccc2F)cc1	733205102	KNPJGUJJHVDCMN-NTEUORMPSA-N	406.335	4.567	50	20	HJGD	
Cc1ccc(-c2ncc(C=NNC(=O)COc3cccc(C(F)(F)F)c3)s2)cc1	734297819	XFRJFWRMTNXKQF-UHFFFAOYSA-N	419.428	4.666	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1	734304583	OSTUQEBPPCDHND-GZTJUZNOSA-N	408.864	4.505	50	20	HJGD	
COc1ccc([C@H](NC(=O)NNc2c(F)cccc2F)c2ccc(F)cc2)cc1	735757284	LMXAFDKKTUVRRP-LJQANCHMSA-N	401.388	4.528	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)c1C	737629276	SGUPAQSAOASJIZ-UKQGIEBLSA-N	421.545	4.826	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c1C	741197427	PZFBUQYPMSYBKQ-ZBDCHNAPSA-N	415.541	4.566	50	20	HJGD	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1cccc([N+](=O)[O-])c1	748005259	WNEFFKZZTWPITG-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
CCC1(CNC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCC1	752737797	MMASKNUUQNMIES-HNNXBMFYSA-N	408.873	4.541	50	20	HJGD	
CC(C)(C)Cc1nc(-c2cccc(C(=O)NNc3ccc(C#N)c(Cl)c3)c2)no1	753297951	NPXNQARRVUDEIP-UHFFFAOYSA-N	409.877	4.607	50	20	HJGD	
CSc1ccccc1NC(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12	755389022	LRDGZTWVPFZKMB-UHFFFAOYSA-N	418.478	4.683	50	20	HJGD	
Cc1ccnc(NNC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)c1	755847019	JHQUVAHJIFYFBW-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NNc1nc(C(F)(F)F)cs1	755854871	OECDRZDNTMJKPE-UHFFFAOYSA-N	424.882	4.686	50	20	HJGD	
COC(=O)[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(Cl)c(F)c1	760081103	QFXUEEZDBZUJBV-LRDDRELGSA-N	405.944	4.524	50	20	HJGD	
CC(C)OCCCCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762678257	CQINYRTYARXJNI-UHFFFAOYSA-N	404.401	4.604	50	20	HJGD	
Cc1nc(CSc2ccc(C(=O)NNc3ncnc4ccsc34)cc2)cs1	766690098	AORZAHLIBFTSON-UHFFFAOYSA-N	413.553	4.505	50	20	HJGD	
O=C(NNc1c(F)cccc1F)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1	775710311	UYVDSGGADGMTGR-UHFFFAOYSA-N	421.276	4.644	50	20	HJGD	
Cc1ccc(C(=O)CCC(=O)CCC(=O)NNc2ccc(C(C)(C)C)cc2)s1	780802378	LFJXLKHMQFMYBJ-UHFFFAOYSA-N	400.544	4.810	50	20	HJGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2c(Cl)cc(Br)cc2Cl)CCO1	781684989	RIQFWNCCEJLIQQ-GXSJLCMTSA-N	410.139	4.794	50	20	HJGD	
C[C@H](CCc1cccn1C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782979565	INLFHXLNDBCWPM-GFCCVEGCSA-N	418.453	4.982	50	20	HJGD	
Cc1cscc1NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	785004636	WNVYUPOLBYLYNW-CQSZACIVSA-N	408.854	4.853	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cnc2c(C)cc(Br)cn12)c1ccccc1	787180904	YYIURCWKVQOMPG-LZOLKVDOSA-N	423.314	4.580	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccccc1SCc1ccc(C#N)cc1	798308760	AJYJJXDTFBAWPJ-UHFFFAOYSA-N	416.506	4.626	50	20	HJGD	
O=C(NNC(=O)[C@@H]1CCCC(F)(F)C1)c1ccc(COc2ccc(Cl)cc2)cc1	799857315	NUIJVONQVMYJNQ-MRXNPFEDSA-N	422.859	4.506	50	20	HJGD	
O=C(NNC(=O)c1cnc(-c2ccccc2)s1)Nc1ccc(Cl)cc1Cl	802089663	DRYHJTQWIKFLLZ-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OCc2ccc3occc3c2)c(-c2ccccc2)n1	802852223	RBCXOXYWDXAPQW-KGENOOAVSA-N	422.444	4.860	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cccc(OCc2ccc(Cl)cc2)c1	803434640	OXFXDBXXOKRFHZ-UHFFFAOYSA-N	419.868	4.517	50	20	HJGD	
Cn1c(NNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)nc2ccccc21	816579830	HCVXPIRWHQINSC-UHFFFAOYSA-N	415.478	4.714	50	20	HJGD	
Cc1ccc(-n2c(N(C)C)nc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2Cl)cc1	912858738	AAKBGHBJAHRPHI-LGMDPLHJSA-N	419.916	4.754	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cccc(C#N)c2)c(C)n1-c1ccc(F)cc1	914494827	VZDSNKWVVFYLEH-LPYMAVHISA-N	412.468	4.671	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)CCCCc2ccccc2)c1C	916485050	LDELQEMTTNJALK-WEKPXBEKSA-N	407.558	4.701	50	20	HJGD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(CCCl)cc3)n2)cc1	917906859	LVJIHPBCBTWYNJ-UHFFFAOYSA-N	422.959	4.791	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C(C)(C)c1ccc(Cl)cc1	917923452	VNSYAWOLQCSJTF-UHFFFAOYSA-N	413.930	4.511	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(C3SCCCS3)cc2)cc1C	921159196	ACKGFXOHZZDANL-UHFFFAOYSA-N	417.625	4.804	50	20	HJGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OCC(F)(F)F	921262653	WLFSUAUEHSDKEJ-AWNIVKPZSA-N	423.303	4.517	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(CCCc3ccccc3)o2)c1C	1117231773	WHTAVMYMHFFMDL-SDLXJUDFSA-N	404.514	4.935	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cc2c(s1)CCC2	1787563929	JZJFDENGWGXVBG-QGZVFWFLSA-N	406.910	4.519	50	20	HJGD	
Cc1ccsc1C(=O)NC1(c2ccc(NC(=O)CCBr)cc2)CCC1	1787672369	KRQSVWNTPXONMN-UHFFFAOYSA-N	421.360	4.589	50	20	HJGD	
C[C@H]1C[C@]1(C)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845125028	HLTJAZKDWADZFP-UGKGYDQZSA-N	411.030	4.986	50	20	HJGD	
N#C/C(=C\c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)Nc1ccccc1C(F)(F)F	14177848	QBTMJZLEFJFDBB-QIPRVMPFSA-N	416.399	4.809	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)Nc1ccc(F)c(Cl)c1	17699203	IYVSMSYMPYDTSD-VIZOYTHASA-N	415.255	4.923	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](O)c2cccc(F)c2)c(C)n1C1CCCCC1	725892450	SNFZFFGGUGFTRI-AGIMELGASA-N	409.505	4.506	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2OC(F)F)c1C	726507308	QEOQHKHJSDMOIJ-YQYFLZKSSA-N	417.456	4.768	50	20	HJGD	
Cc1nc(-c2ccc(CCNC(=O)NNc3ccc(OC(F)F)cc3)s2)cs1	726702011	CMZZBBJQISPLNX-UHFFFAOYSA-N	424.498	4.650	50	20	HJGD	
O=S(=O)(NCc1ccc(Oc2ccccc2)nc1)c1ccc(CCCCl)cc1	726974757	MOHCJUJBCQUEDU-UHFFFAOYSA-N	416.930	4.524	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc(Br)c1O	730148852	NQAXBGVXNXXEDU-ONNFQVAWSA-N	405.248	4.976	50	20	HJGD	
Cn1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1	730149107	SRIKQRVQWVWIEZ-MDWZMJQESA-N	405.414	4.808	50	20	HJGD	
COc1cc(F)c(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cc1OC	730505214	ZUFOIKUZVXDDAU-ZDLGFXPLSA-N	413.493	4.853	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccccc2F)cc(Br)c1OC	732577276	VWAVPBGBAAXHFX-JYRVWZFOSA-N	404.235	4.785	50	20	HJGD	
CC(C)Oc1ccc(-c2nc(C(=O)NNc3nccc4sccc34)cs2)cc1	734248774	VZHKYIINPFUOTJ-UHFFFAOYSA-N	410.524	4.964	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cnn(-c2ccc(Cl)cc2Cl)c1	734249076	IWGSZORMNPOLQS-UHFFFAOYSA-N	404.282	4.546	50	20	HJGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CCC(OCC2CCCCC2)CC1	742321227	ISKVZQNZEADESZ-UHFFFAOYSA-N	414.011	4.608	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(Cl)ccc2OC[C@@H]2CCCO2)n1	743057962	XHQCXMYLOAXBMF-SBNBMVPLSA-N	418.902	4.595	50	20	HJGD	
O=C(NCC1(c2ccc(F)cc2)CC1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743536443	ANTSEAQDHOWTIX-UHFFFAOYSA-N	418.472	4.560	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(OCC3CC3)cc2)c1C	745813854	LDLWPPMVOPNYQF-RHLNUJDMSA-N	408.498	4.614	50	20	HJGD	
Cc1nccn1CCCN(C)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	747024629	QWGPJAWFDSNTTH-CJLVFECKSA-N	407.562	4.571	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3cc(C(F)(F)F)ccc3F)cs2)c1	754146853	FXXGUZCJBSNMPF-UHFFFAOYSA-N	409.408	4.962	50	20	HJGD	
Cc1cnccc1CCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	754899489	UDFPFOSVBAPJRR-HNNXBMFYSA-N	403.857	4.974	50	20	HJGD	
CC[C@H](C)c1ccc(C(=O)NNC(=S)Nc2cccc(Br)c2)cc1	755626507	OLMFXRUGIHGEAS-LBPRGKRZSA-N	406.349	4.594	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ncco3)ccc2C)c1C	759849687	QDVKCHAISONSOE-LASGFXPTSA-N	418.497	4.821	50	20	HJGD	
Cc1nc(CNC(=O)NNc2cc(F)c(F)c(F)c2)oc1-c1ccc(Cl)cc1	761767610	JYGZYNUHAJOBTL-UHFFFAOYSA-N	410.783	4.547	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1	768143358	ABFKTZBIPAZGGJ-MZNJEOGPSA-N	408.361	4.743	50	20	HJGD	
COc1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1NC(C)=O	769951616	MZQPQBIRBJMHJA-UHFFFAOYSA-N	417.680	4.762	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1cccnc1SCC1CCCCC1	771552965	QWFUYMIMRRVABH-UHFFFAOYSA-N	421.364	4.668	50	20	HJGD	
N#C/C(=C\c1cc(F)cc(C(F)(F)F)c1)C(=O)Nc1nc2ccccc2nc1Cl	772805656	HNUCMODQSIBVOT-VZUCSPMQSA-N	420.753	4.987	50	20	HJGD	
CCC(CC)(CCO)CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773351250	IBVRKQGGUSWUEP-UHFFFAOYSA-N	418.428	4.588	50	20	HJGD	
COC1(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCCC1	773543796	JVGIRDAMELTPKK-UHFFFAOYSA-N	416.412	4.748	50	20	HJGD	
C[C@]1(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO[C@H]1C1CC1	778062487	UDGNJZRPYWRLSQ-KBPBESRZSA-N	407.426	4.580	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)C(=O)Nc1ccccc1C(F)(F)F	780148415	REDCLLLTJOYVOP-CXUHLZMHSA-N	414.362	4.635	50	20	HJGD	
O=S(=O)(CCCCCl)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	780759466	BNUOQHOKCIJEBO-UHFFFAOYSA-N	421.777	4.739	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2oc3ccccc3c2COc2ccccc2)c1	780795755	CDHNHSQTLFNCBD-UHFFFAOYSA-N	416.433	4.555	50	20	HJGD	
Cn1c([C@H](NC(=O)[C@@H](Br)C(C)(C)C)c2ccccc2)nc2ccccc21	781080119	LUAABSLFNIBWSC-QZTJIDSGSA-N	414.347	4.589	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)c2ncccn2)c(C)n1-c1cccc2ccccc12	808785237	ZCEJLAQEHSPBSG-QNGOZBTKSA-N	407.477	4.607	50	20	HJGD	
COc1cc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])cc1OC	810251708	ZOGNBJGFUNRLDA-XCVCLJGOSA-N	413.739	4.743	50	20	HJGD	
O=C(NCC(Cl)Cl)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	816605405	WUOXAMBSGGHUAU-UHFFFAOYSA-N	406.096	4.779	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccccc2OC(F)F)c1C	913150038	KXUCMHNNBCUYTJ-HNIBHBHRSA-N	418.440	4.564	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2cccc(F)c2)C2CC2)c(C)n1C[C@H]1CCCO1	914487414	JPJOFHNTSCHPRF-QYAMMSNYSA-N	421.516	4.521	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)Cc3ccc4ccccc4c3)c2C)cc1	915971840	BTPXEQJBPVODHB-UHFFFAOYSA-N	410.521	4.703	50	20	HJGD	
CCOc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OC(F)F	916273557	KBGNHZGJBHDFQX-UHFFFAOYSA-N	414.861	4.583	50	20	HJGD	
O=C(NCc1cccc(Cn2ccnc2)c1)NNc1c(Cl)cc(Cl)cc1Cl	916405324	CVNMIBUKKZSTGE-UHFFFAOYSA-N	424.719	4.718	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C#N)C(=O)Nc2ccccc2F)cs1	917561385	FFHWSCJLONLMCU-UVTDQMKNSA-N	424.432	4.652	50	20	HJGD	
COc1ccc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	920169829	LXDXVGXXOSXPBA-DIUKGHQMSA-N	408.498	4.504	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1	920386626	CTRPMMYHONHGJK-OVCLIPMQSA-N	421.434	4.562	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cccc(NC(=O)c2cccs2)c1	921148584	YPAVCASJESKSQP-UHFFFAOYSA-N	422.897	4.959	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2cccs2)c(C)n1-c1ccccc1F	1115811541	XQPISDPGFQRKCU-GZTJUZNOSA-N	408.454	4.628	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-n3cnnc3)c2)c1C	1347503800	ZBTCQTVKLNVFDX-MTJSOVHGSA-N	422.492	4.529	50	20	HJGD	
COc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)s1	1787057880	XVGSMZJVOCFTDF-UHFFFAOYSA-N	420.962	4.769	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4[nH]3)cc2)CCC1	1789370119	ILNCQMKLHUKXGM-OAHLLOKOSA-N	415.946	4.995	50	20	HJGD	
CC[C@H](C(=O)N1CCCC2(CCN(C(=O)C(C)(C)CCl)CC2)C1)c1ccccc1	1809006070	IZYNDMSBXSMDLU-FQEVSTJZSA-N	419.009	4.676	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826264604	JHAFXUHMJPOXIH-FQEVSTJZSA-N	411.030	4.842	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1	11286903	VLCVWCSWCZDMFN-SDNWHVSQSA-N	405.435	4.878	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Cl)c1OC	71835790	PCQHOJKJFJUGIT-KPKJPENVSA-N	421.678	4.665	50	20	HJGD	
N#C/C(=C/c1csc(-c2cccc(Br)c2)n1)C(=O)NCc1ccccc1	301399396	OFHRMVPUFCAQFR-YBEGLDIGSA-N	424.323	4.796	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@@H](c1ccc(Cl)cc1)C1CCCC1	730127059	YYPQSVAYMSONDM-OAQYLSRUSA-N	422.916	4.764	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2cnn(C(C)C)c2)c(C)n1-c1ccccc1F	732748904	QQXGUDSSRLXWEH-MLHZQLSASA-N	419.504	4.795	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3cnn(C(C)C)c3)c2C)c1	732748966	RTSBKJPMMGTBML-OZNZCJATSA-N	415.541	4.964	50	20	HJGD	
COc1cc(C(=O)NNc2cc(C)ccc2C)cc(OC)c1OCc1ccccc1	733164808	CUZUQCDRUHAIRF-UHFFFAOYSA-N	406.482	4.657	50	20	HJGD	
Cc1ccc([C@@H]2COCCN2C(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)o1	735025114	MMZYVWSXIZJDPC-YRUATGHUSA-N	409.530	4.560	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Oc2nccs2)c1	736667278	OMPALXDXLDRYSZ-UHFFFAOYSA-N	424.360	4.619	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)Cc2c(C)noc2C)c1C	737667772	WPLIQFVPGUJYAO-QLPFJNHISA-N	416.525	4.662	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc(Br)c1OC	741473174	NQIAAVWTRLLJPX-NTUHNPAUSA-N	413.275	4.500	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(OCC3CC3)CC2)c(C)n1-c1ccccc1F	743788625	RWKOMEUACOETFK-KGENOOAVSA-N	421.516	4.558	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(Br)cc2F)cc1	748189073	HRFUJPKEUSYJSL-UHFFFAOYSA-N	424.270	4.692	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(Br)ccc1Cl	748750665	KQSQZTNTECHXES-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2cc(F)c(F)cc2F)s1	748796032	AOZPINWOFQLRFI-UHFFFAOYSA-N	406.389	4.566	50	20	HJGD	
C#CCn1cnc(-c2ccccc2)c1NC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	749360840	IBIYGBNYVRNBIO-JCMHNJIXSA-N	411.509	4.557	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c(C)n1CCC(C)C	752493069	UPHRTYIUYBNBIZ-UNOMPAQXSA-N	424.520	4.538	50	20	HJGD	
CSc1nccn1-c1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1	754148157	SFFZLUGASUGZTI-UHFFFAOYSA-N	410.396	4.509	50	20	HJGD	
N#Cc1ccccc1Sc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc1	754469610	IPDWFMKAZXBZPU-UHFFFAOYSA-N	423.501	4.923	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccc2[nH]ccc2c1	756298558	ZKRBVINRPCCNNP-UHFFFAOYSA-N	421.460	4.850	50	20	HJGD	
CCSc1cc(Cl)ccc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	763451187	WBPRWWXZYYPNNO-UHFFFAOYSA-N	403.718	4.834	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	764463873	AEQHTIROXFCEON-UHFFFAOYSA-N	414.824	4.756	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1	768228884	FDWICGGURKHIFE-UHFFFAOYSA-N	413.430	4.651	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1cc(C#N)cc(Cl)n1)c(C)n2C1CCCC1	768714031	VTUIOXAZZHUSRP-UHFFFAOYSA-N	423.904	4.750	50	20	HJGD	
CN(C)C(=O)Nc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)c(Cl)c1	772000524	YHEZTRVJCJIURT-UHFFFAOYSA-N	408.889	4.917	50	20	HJGD	
O=C(NCCCOc1ccccc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772860066	LNTXITHORXMHRL-UHFFFAOYSA-N	424.391	4.868	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2Cl)c(C)n1C[C@@H]1CCCO1	775256399	YPXBGDPQJFGAGL-LUIDJVGMSA-N	411.933	4.722	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)c(C)n1[C@@H](C)c1ccccc1	775261376	ADAFXCZXGZCDOD-AWEZNQCLSA-N	402.420	4.885	50	20	HJGD	
O=C(NNc1c(F)cccc1F)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	775623584	MFWBKKBQWLWQJQ-LJAQVGFWSA-N	415.465	4.562	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(Br)cc1C(F)(F)F	776481572	HGGJRUTZVJBLKM-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)NNc3ccc(F)c(F)c3F)cccc21	779010868	PGXPDWFHOYRLHW-UHFFFAOYSA-N	421.419	4.549	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1	780578379	OEQXCOJYGOHQDH-UHFFFAOYSA-N	417.575	4.846	50	20	HJGD	
COc1ccc(NNC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CC3)nc1	781534206	WSTXOVXSOYZNLY-OBGWFSINSA-N	422.488	4.882	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCC(CC#N)CC3)c2C)cc1	782056027	OVDYHPABSSHJAI-JWGURIENSA-N	416.525	4.552	50	20	HJGD	
CC(C)c1ccc(C2(C(=O)NNc3nnc(-c4ccccn4)s3)CCCC2)cc1	788567076	UNFHPXWXEKGGDN-UHFFFAOYSA-N	407.543	4.679	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc(Cl)n1	788698562	HJWGGFNNNPXERA-UHFFFAOYSA-N	415.884	4.660	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)c1C	789961543	WQPOTAIETSEVHI-AYCSXLNKSA-N	405.420	4.877	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2c(F)cccc2F)c(C)n1C[C@@H]1CCCO1	797030042	LLWRUNGMXIEFOI-XCABNSPFSA-N	414.452	4.774	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NNc1cc([N+](=O)[O-])ccc1Br	800619659	CGIZWHDTNAHEAP-NSHDSACASA-N	420.354	4.515	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cccc(C(=O)Nc2ccccc2)c1	802859309	BBERKYILNJDMKS-UHFFFAOYSA-N	417.362	4.854	50	20	HJGD	
CSc1ccsc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804207251	DFEGOOVIDKFZFY-UHFFFAOYSA-N	410.446	4.703	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	805377968	KEEZDAOUNAOBJN-UHFFFAOYSA-N	424.438	4.720	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNc1ccnc2cc(Cl)ccc12	812016398	FKFAYAMZAVEQPT-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cc1C	893575142	CYWNGTINMYTRHQ-BKUYFWCQSA-N	406.530	4.964	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1	901116454	HGVVKCSSZCCPDP-UDWIEESQSA-N	403.507	4.741	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccccn2)c(C)n1-c1cccc(Cl)c1	919985474	FTTXFLFPBSLQCN-XDHOZWIPSA-N	404.901	4.708	50	20	HJGD	
Cc1ccc(OCc2nc(C=NNC(=O)C34CC5CC(CC(C5)C3)C4)cs2)cc1	920363401	ZLWITQMYMGSJDU-UHFFFAOYSA-N	409.555	4.697	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)nn1	1318939447	UILXZTZYMHXEKJ-UHFFFAOYSA-N	415.472	4.885	50	20	HJGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNc1cncc(Br)c1	1319648567	MKLBXZBHPDEJOF-UHFFFAOYSA-N	424.298	4.617	50	20	HJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNC(=O)c3ccccc3Cl)cs2)cc1	1333984108	DBSZRAQPXZSNNO-UHFFFAOYSA-N	413.930	4.591	50	20	HJGD	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Br)CCC2)cc1	1786103376	UDAHGNYUMJELCK-QGZVFWFLSA-N	423.326	4.579	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccco3)cc2)CCC1	1791908826	FEMHWBGZEUAWCL-UZLBHIALSA-N	416.949	5.000	50	20	HJGD	
Cc1c(F)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CCl)CC1	1823924889	KNXIRSBMUJDGCL-FQEVSTJZSA-N	422.972	4.632	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2C)c1C	16793150	GIZUWVDNOYWLHO-DBRLUCFCSA-N	407.514	4.609	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1O	96663529	RWXIVSSHRZCQCL-QPEQYQDCSA-N	411.255	4.743	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](c2cccs2)N(C)C)c(C)n1CCC(C)C	255942880	CPBIABIQCHUJLA-DMMSUNFISA-N	412.603	4.539	50	20	HJGD	
COc1cccc([C@@H](CNC(=O)CCCC[C@@H]2CCSS2)N2CCCC2)c1	302711238	SMTDMOBKWNHGQK-WOJBJXKFSA-N	408.633	4.662	50	20	HJGD	
O=C(NN=Cc1ccc(CSC(F)F)o1)c1ccc(Br)cc1Cl	728782566	NAHIJFUFIWXCEY-UHFFFAOYSA-N	423.666	4.915	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	730516965	GHCZXNACUYLHRE-CHWSQXEVSA-N	418.107	4.865	50	20	HJGD	
N#C/C(=C\c1ccc(OCc2occc2C(=O)O)cc1)c1nc(-c2ccccc2)no1	730950992	IKSDXGLJRUXTSP-SFQUDFHCSA-N	413.389	4.671	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C	730993834	DBAMZBPQZAVXBZ-DORSJAEJSA-N	422.554	4.549	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cccn1Cc1ccccc1	733808465	RWDWAMYRVZXRPY-UHFFFAOYSA-N	404.695	4.709	50	20	HJGD	
CCOc1cc(CNC(=O)NN(Cc2ccccc2)c2ccccc2)ccc1OC	734068644	GZOIYDGJRJWYRI-UHFFFAOYSA-N	405.498	4.515	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1[N+](=O)[O-])c1cc(-c2ccco2)nc2ccccc12	739401347	VTBHRQZMKNJHAD-UHFFFAOYSA-N	420.812	4.820	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1	741467782	QKSRAELEXLAUTP-SFQUDFHCSA-N	400.400	4.822	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cnn(-c3cccc(Br)c3)c2C)c(C)c1	743764914	UNKDOGCNWDHOGH-UHFFFAOYSA-N	413.319	4.625	50	20	HJGD	
O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1	746352795	GNLHFFSLQBGEBO-UHFFFAOYSA-N	414.914	4.521	50	20	HJGD	
N#Cc1ccccc1OCc1cccc(C(=O)NNc2cccc(Br)c2)c1	748022371	URAOBNDCAHWRGH-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)n1	748338547	FXNRDUHXASKANP-UHFFFAOYSA-N	411.893	4.680	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1	748667209	JUFBXEKREPKELE-HOTGVXAUSA-N	424.570	4.645	50	20	HJGD	
O=C(CCc1ccccc1)NN=Cc1cccc(NC(=O)c2ccccc2Cl)c1	749748130	XWRUZUQPNLFRSA-UHFFFAOYSA-N	405.885	4.675	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cnn1-c1ccccc1	752635096	WXZKWDSKIQJHRU-UHFFFAOYSA-N	418.419	4.523	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1	759644357	RAYZSFSASMSNDR-MOSHPQCFSA-N	414.509	4.537	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(Cl)cc1Br	761047993	QPGCQNAEFFLBJN-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)c(F)cc2Cl)cc1	761052441	OFOKUUBMWDZYNH-OQLLNIDSSA-N	401.821	4.519	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1nn(-c2ccccc2F)c2c1CCC2	763613097	XPGHVBQNNTXHQE-UHFFFAOYSA-N	405.260	4.564	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)CCCC[C@@H]3CCSS3)C2)C1	765342140	CUUHPNJMQIVAOG-OXQOHEQNSA-N	414.637	4.560	50	20	HJGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ccc(OCc2cccnc2)cc1	767034314	WHZIGMKHGLQHDC-KBXCAEBGSA-N	405.336	4.647	50	20	HJGD	
CC(C)c1nn(C)c2sc(C(=O)NNc3c(Cl)cc(F)cc3Cl)cc12	768008786	HRXPTOLBTNJHMO-UHFFFAOYSA-N	401.294	4.961	50	20	HJGD	
COc1cc(C(=O)NNc2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl	768497007	YWXGXIQEKBDCNP-UHFFFAOYSA-N	422.872	4.561	50	20	HJGD	
CC1(C)C[C@@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C(C)(C)O1	773463350	CWVQXUIPNCRXPU-GFCCVEGCSA-N	416.412	4.745	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	773471971	NNFFPODZTXJZCY-QGOAFFKASA-N	410.433	4.690	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C(=O)NNc3ncc(Cl)cc3Cl)c2Cl)cc1	775265901	ZNMNGGRDNWVHSV-UHFFFAOYSA-N	424.719	4.660	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc(O)n2)c(C)n1-c1cccc2ccccc12	777458410	MWRBJFCZBIQXEY-STZFKDTASA-N	422.488	4.571	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1csc(Cc2cccc(F)c2)n1	779208481	KEMMHIMQKAQRNR-UHFFFAOYSA-N	411.380	4.529	50	20	HJGD	
C[C@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)[C@@H]1CCCN(C2CCC2)C1	781400053	CXJIXSSSRAAKEB-RBBKRZOGSA-N	406.574	4.560	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	787154941	NJCGPVPTTZETTK-LUJRCDHRSA-N	417.421	4.648	50	20	HJGD	
COc1ccc2c(c1)CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@H](c1ccccc1)C2	787422850	AICFOOLTSILKHD-BAZHDFBLSA-N	410.473	4.634	50	20	HJGD	
Cc1sc(C(=O)NNc2nnc(-c3ccccn3)s2)cc1-c1ccc(F)cc1	788558031	HKRXNGRSZHNDHZ-UHFFFAOYSA-N	411.487	4.533	50	20	HJGD	
O=C(NNc1nc2ccccn2n1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	791264603	YSHZGYLXZBYRKS-UHFFFAOYSA-N	414.252	4.585	50	20	HJGD	
O=C(NN=Cc1ccc(Br)cc1C(F)(F)F)c1cccc(Cl)c1	794473826	BALPTNJLLGWDJW-UHFFFAOYSA-N	405.601	4.885	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(F)c(C(F)(F)F)cc1F	804574356	CIFLFTAPZNBOME-UHFFFAOYSA-N	400.225	4.639	50	20	HJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F	811626170	COBFZLWHVOEBKW-WZUFQYTHSA-N	400.278	4.975	50	20	HJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc(O)c(OC)cc2Br)cc1	915853554	LXHRVUQRUSJANT-CXUHLZMHSA-N	400.272	4.906	50	20	HJGD	
COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)cc(Cl)c1OC	916295524	WALZSQPEHHWVAA-UHFFFAOYSA-N	424.884	4.553	50	20	HJGD	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=O)c2ccccc2C)cs1	916361812	JCSZZQWXOWRWLH-UHFFFAOYSA-N	412.902	4.553	50	20	HJGD	
CCCOc1cccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)c1	917143004	URSMNAXRAFZINS-CXUHLZMHSA-N	421.478	4.556	50	20	HJGD	
Cc1c(/C=C(\C#N)c2nnc([C@@H](C)Oc3ccc4ccccc4c3)o2)cc(C#N)n1C	1257770121	ZKBRPZIEYMNWQK-OVEPSTSESA-N	409.449	4.946	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1	1786012471	CRBVWRNNCWQTFB-UHFFFAOYSA-N	423.944	4.765	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)on3)CCC2)cc1	1786444118	OVYPSRGSHWSXGL-KRWDZBQOSA-N	417.937	4.953	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3scnc3C3CC3)cc2)CCC1	1787186565	SHFLBVMAILQVBT-INIZCTEOSA-N	417.962	4.786	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3C3CC3)CC2)C1	1805265061	ZLYFTESGXRNLNC-UHFFFAOYSA-N	416.993	4.674	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2ccc(C)cc2)n[nH]1	1822064150	BQXDORNAWZKNNR-AYBZRNKSSA-N	416.953	4.531	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C)CC1	1824618124	PNMSBTDEENVKJM-LEWJYISDSA-N	422.972	4.775	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1cccnc1	7007124	PNUBIPOJBDXGON-HYARGMPZSA-N	419.488	4.848	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc(-c3cccs3)no2)c(C)n1CC(C)C	7294414	AXYRAKDPQSCSLK-RQZCQDPDSA-N	410.499	4.523	50	20	HJGD	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)c1nc2cc(C(F)(F)F)ccc2s1	22608570	XHZGVPKMQRRHMR-KPKJPENVSA-N	404.369	4.843	50	20	HJGD	
O=C1O[C@H](C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)Cc2ccccc21	97089022	XRWLPCZSGPUTHS-GUYCJALGSA-N	415.820	4.626	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2nc(C)cs2)ccc1OCC(=O)Nc1ccccc1	211693846	YJNVULZJKAQHMO-WQRHYEAKSA-N	419.506	4.932	50	20	HJGD	
C=CCN(Cc1ccc(Cl)s1)C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	302892147	IANPCCGNYNXQIB-PDGQHHTCSA-N	417.962	4.588	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1	303583553	RUTBPFHOJRBTRB-UHFFFAOYSA-N	412.852	4.938	50	20	HJGD	
C[C@@H]1CCCN(Cc2csc(NC(=O)NNc3cccc(C(F)(F)F)c3)n2)C1	726871363	MHVVGVNFGRHFGI-GFCCVEGCSA-N	413.469	4.542	50	20	HJGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)N[C@H](c1ccc(F)cc1)C1CCC1	729233778	VPDZPKKEKXSRGU-FQEVSTJZSA-N	415.534	4.642	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccccc1F	731477421	GZGFPEQMZTXKCD-VIFPVBQESA-N	405.189	4.854	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@](C)(c3ccccc3)C2)c1C	733278525	PWGISJDSKKZOSU-FPPGFOSOSA-N	419.569	4.800	50	20	HJGD	
Cc1cc(NNC(=O)Cc2csc(-c3cccs3)n2)ccc1Br	734254982	UGDQVORJVMVXAS-UHFFFAOYSA-N	408.346	4.628	50	20	HJGD	
Cc1c(C(=O)/C=C/c2cnn(CCCl)c2)cnn1-c1ccc(Cl)cc1Cl	743056574	ZGNGXFWHKXITEZ-GORDUTHDSA-N	409.704	4.819	50	20	HJGD	
O=C(NCc1noc(-c2cccs2)n1)NNc1c(Cl)cc(Cl)cc1Cl	745281470	QCDNJCKGBXVCEV-UHFFFAOYSA-N	418.693	4.585	50	20	HJGD	
O=C(NCCCOC[C@@H]1CCOC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752975613	VCAVYECRPJKADV-LBPRGKRZSA-N	404.401	4.909	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1Cl	753301996	GCPNLOWSMZZIOT-UHFFFAOYSA-N	413.868	4.821	50	20	HJGD	
N#Cc1ccc(NNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1Cl	753307037	ZFDKXFKKTDZMHO-UHFFFAOYSA-N	424.835	4.916	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1F)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	753683085	LSHBEUYTJOYHTH-ZROIWOOFSA-N	420.271	4.515	50	20	HJGD	
CC(C)(C(=O)NNC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccccc1	756301702	XTFOALIOWDDPGI-UHFFFAOYSA-N	420.538	4.504	50	20	HJGD	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)NNC(=O)c2cccc(C#N)c2)cc1	757604347	PRUJJKBKPOCXGZ-INIZCTEOSA-N	416.506	4.878	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccccc1OC(F)(F)F	767168276	GXZSFBABYZBAHV-UHFFFAOYSA-N	405.401	4.781	50	20	HJGD	
CC(=O)CCc1ccc(OCCC(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	768008940	JSKHSDJQZHYKFA-UHFFFAOYSA-N	413.276	4.566	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1C	770268731	TYBBXERBSSIUIR-RCCKNPSSSA-N	409.493	4.880	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc3ccc(Br)cc3n2)cc1	771522157	ZXQHNLXFLWRQRI-WOJGMQOQSA-N	413.296	4.644	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	772813798	DJPYWCHCOXWWNG-UHFFFAOYSA-N	418.526	4.526	50	20	HJGD	
O=C(NNc1cncc(Cl)n1)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	774338491	QKWMYXZYHZYYJX-CQSZACIVSA-N	420.222	4.580	50	20	HJGD	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NNc1ccc(OC(F)F)cc1	775175403	FECXKSKQUQSUSV-HNNXBMFYSA-N	403.351	4.916	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NNc1ncc(Cl)cc1Cl	775271277	GNRKIPSAAYRRFH-UHFFFAOYSA-N	419.746	4.913	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl	780148251	PIFHBZNKRCUELT-NVNXTCNLSA-N	415.255	4.923	50	20	HJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=Cc1scnc1C1CC1	782169125	PARISNHQTQXNNY-UHFFFAOYSA-N	402.932	4.749	50	20	HJGD	
O=C(O)c1cc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)ccc1F	782910575	LDXYRMVZTKAHQT-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCN(c2cncc3ccccc23)CC1	788621308	MFOPNGVGKVVLEX-SFHVURJKSA-N	401.601	4.598	50	20	HJGD	
COC(=O)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1	789149102	VKWUEGOMKLKNLM-OVCLIPMQSA-N	401.216	4.517	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)CC(=O)N3C)c(C)n1C1CCCCC1	790096994	BUBYDLFJIWSWCW-UDWIEESQSA-N	416.525	4.675	50	20	HJGD	
O=C(CC(F)(F)F)Nc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	801883695	FLXZGDVIIUFJTD-UHFFFAOYSA-N	420.313	4.745	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)C1(Cc2ccccc2)CC1	804206218	DAESLVZQJDFUNH-UHFFFAOYSA-N	412.415	4.628	50	20	HJGD	
Cc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1Br	812244654	FZFANTDWBRHBJQ-WCIBSUBMSA-N	423.064	4.887	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])c(C)cc2c1	813511843	OPWMCXVGIGZJGL-UHFFFAOYSA-N	421.240	4.524	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1C	819496484	CHUAKMFQLXVDFU-YVLHZVERSA-N	421.526	4.629	50	20	HJGD	
CSc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)n2)cc1	914135260	BUQBVJYWIQNWLJ-PXNMLYILSA-N	419.535	4.596	50	20	HJGD	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)c1c[nH]c2cc(F)ccc12	915990635	PWKOXIXONPCUKX-QDEBKDIKSA-N	413.202	4.588	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc2c(s1)CCC2	916315434	SEVHOLLGNMHBQJ-UHFFFAOYSA-N	412.518	4.853	50	20	HJGD	
Cc1noc(C)c1CN(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	919712646	CPIILMAHUBZZSR-VXLYETTFSA-N	422.916	4.918	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1	1115831107	MBBAOLUCQKEGLZ-UHFFFAOYSA-N	415.424	4.531	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccncc2)c(C)n1-c1cccc(C(F)(F)F)c1	1318065537	HXTMARGKZOHKSN-ODLFYWEKSA-N	424.426	4.731	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1	1786070404	QLIJYNSGFKXAPG-OAHLLOKOSA-N	421.379	4.732	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1	1786259385	PKEROXQYABNAMG-OAHLLOKOSA-N	421.379	4.732	50	20	HJGD	
C[C@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3F)CCC2)cc1	1790493845	ZDVUEKYKPSJPED-FQEVSTJZSA-N	423.315	4.810	50	20	HJGD	
CC(C)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2s1	1798086625	BDLCRLSDCVRJQL-MUJYYYPQSA-N	422.953	4.557	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2C)[nH]n1	1815314551	LVGAVWHWVBSBDX-CRAIPNDOSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(F)c2)CC1	1824616134	JASBTZXOYMCVBV-PZJWPPBQSA-N	422.972	4.775	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1	2657743	ZMAQNIOLYIHBEN-PTGBLXJZSA-N	409.489	4.736	50	20	HJGD	
O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NNC(=O)c1cccs1	8357448	CHQDOJKAEZZELZ-IBGZPJMESA-N	416.955	4.685	50	20	HJGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)oc1C	17699191	NOMYAUKKNQRLHO-FOWTUZBSSA-N	402.406	4.713	50	20	HJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCC)c(OC)c2)cc1	72067712	JYDHWOPKRPEPCC-UYRXBGFRSA-N	408.498	4.991	50	20	HJGD	
O=C(NNC(=O)C1c2ccccc2Oc2ccccc21)c1c(Cl)cccc1Cl	727793428	ITKGMYLSEGJWCT-UHFFFAOYSA-N	413.260	4.692	50	20	HJGD	
CC[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	727810207	PRBPMXOIOGBFID-IAAPFODBSA-N	423.520	4.508	50	20	HJGD	
O=C(COc1ccccc1OCc1ccccc1)NNc1cccc(C(F)(F)F)c1	730830165	MSNDUOUAIWNQIK-UHFFFAOYSA-N	416.399	4.807	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H]2CCCc3nc(C)sc32)c1C	733069468	OXDKYCLMLPQFHH-GKQLXLAUSA-N	413.543	4.605	50	20	HJGD	
O=C(Cc1ccccc1Br)NNc1ccc(Br)cc1Cl	733808263	MLPRBXYZRXFRCL-UHFFFAOYSA-N	418.516	4.551	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cccc(COc3cccc(F)c3)c2)c1C	734012948	KIQKKYCADYNOEV-UHFFFAOYSA-N	423.513	4.653	50	20	HJGD	
Cc1nc(C)c(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)s1	736429219	QNOHAMBXHLYKNK-UHFFFAOYSA-N	404.470	4.878	50	20	HJGD	
N#C/C(=C/c1cnc2ccc(Br)cn12)C(=O)c1c[nH]c2cc(F)ccc12	740765411	YXVINRKTBSHPES-WZUFQYTHSA-N	409.218	4.507	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4c(c3)NC(=O)CC4)c2C)cc1	741722537	WLADMPNREDOTSD-BKUYFWCQSA-N	424.504	4.833	50	20	HJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3	741851886	HHOFKJYZBHJWGH-UKTHLTGXSA-N	413.449	4.984	50	20	HJGD	
O=C(NNC(=O)Nc1ccc(Br)cc1Cl)Nc1cccc(Cl)c1	743807486	FVXODVXVXKXTNY-UHFFFAOYSA-N	418.078	4.614	50	20	HJGD	
CC(C)(C)c1ncsc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	746849396	CWOCHSZSSSKPEQ-UHFFFAOYSA-N	422.270	4.979	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccccc2Oc2cccc(Br)c2)cc1	748116484	FIFKBXPXZGYHHG-UHFFFAOYSA-N	408.255	4.870	50	20	HJGD	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NNc3ccc(F)c(F)c3F)c12	748215306	ILTDXRZPYQVNGB-UHFFFAOYSA-N	416.334	4.512	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1oc2ccccc2c1CSc1ncccn1	748303880	VSZUYBYBKYMDSB-UHFFFAOYSA-N	410.886	4.925	50	20	HJGD	
CN(c1ccccc1)c1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cn1	748702159	NKGSYNVWDHUNHR-UHFFFAOYSA-N	416.403	4.548	50	20	HJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748730349	LRZFNWPTDALMAK-UHFFFAOYSA-N	403.847	4.742	50	20	HJGD	
COc1cc(C)c(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC	751448929	XRRYMVQLEGHWCC-VGOFMYFVSA-N	412.294	4.657	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2cc(C)nc(-c3ccc(Cl)cc3)n2)c1	751638781	IFWFGWDDLQHPMZ-WOJGMQOQSA-N	419.868	4.764	50	20	HJGD	
COc1ccccc1OCc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)o1	752813444	URZNVIIRSFLSSE-UHFFFAOYSA-N	407.253	4.931	50	20	HJGD	
Cn1ccnc1[C@@H]1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	756294955	YZEZTNVIPYIWLK-ABAIWWIYSA-N	418.872	4.661	50	20	HJGD	
O=S(=O)(NCCC[C@@H]1CCCCO1)c1ccc(S(F)(F)(F)(F)F)cc1	760616579	MJPISLVCBCCOGK-LBPRGKRZSA-N	409.442	4.972	50	20	HJGD	
CS[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1N(C)C	762974461	IMGIVHGABSZVBM-CHWSQXEVSA-N	405.458	4.853	50	20	HJGD	
NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762975839	NBEOYCQIIWGUMV-AWEZNQCLSA-N	409.380	4.562	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2cccc(C#N)c2)c1)C(=O)c1cccc2c1OCCO2	771513409	KMBMGUDKMVVUGU-FYJGNVAPSA-N	422.440	4.698	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NN=C3CC4(CCC4)C3)c3ccccc3n2)cc1OC	772838733	MDXRRDNTWVADCI-UHFFFAOYSA-N	415.493	4.969	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3ncc(Cl)cc3Cl)s2)cc1	775271312	HORPBBZCXWJANX-UHFFFAOYSA-N	423.325	4.976	50	20	HJGD	
CSc1cccc([C@@H](NS(=O)(=O)CCCCCl)c2cc(F)ccc2F)c1	780798895	VWRKZENZBYUQNF-GOSISDBHSA-N	419.946	4.715	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1	780805883	GSTIRDFMMDWIAS-UHFFFAOYSA-N	419.978	4.695	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1ccccc1OCc1ccc(Cl)cc1Cl	781361921	AKTRVTMJZPOION-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C	782258256	GUSVAVZVPXKMEP-UHFFFAOYSA-N	422.315	4.805	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cccc(OCC#N)c1)c1ccc(Cl)cc1Cl	787144981	NLMIFHPGQOYUHO-MLJKTZRHSA-N	400.265	4.680	50	20	HJGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)C1	793468310	OCHZONNAWRLAEQ-PWSUYJOCSA-N	409.246	4.506	50	20	HJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@]2(CCOC2)O1	797645646	SNOADGSSMLBJPI-NHYWBVRUSA-N	402.385	4.756	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1F)c1ccc(C(F)(F)F)cc1	798981548	LYZSLRJKJLSCAN-VIFPVBQESA-N	405.189	4.854	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H]2CC(C)(C)Oc3ccccc32)c1C	799438351	KYNNMNQHQRPZRR-OOIVEFLKSA-N	408.498	4.504	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ncc(C=NNC(=O)c2cc3c(s2)CCCCC3)s1	799873834	YTAUOCVKMGYGQV-UHFFFAOYSA-N	420.560	4.584	50	20	HJGD	
CCCN(NC(=O)c1ccccc1SCc1c(C)noc1C)C(=O)OC(C)(C)C	804594760	QGEQWYUKNYILQN-UHFFFAOYSA-N	419.547	4.876	50	20	HJGD	
CC[C@H](c1ccccc1OC)N(C)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	809281460	YDZRABARQTYUOG-HUVRZHLSSA-N	423.557	4.838	50	20	HJGD	
CC1(C)CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@H]1[C@H]1CCCO1	809854495	WLTGDEVEURJRMS-KGLIPLIRSA-N	421.453	4.922	50	20	HJGD	
CC(=NNC(=O)COc1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F	812457834	WDYFIPRZUXZRAN-UHFFFAOYSA-N	408.408	4.504	50	20	HJGD	
C[C@@H]1C(=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC[C@H]1CC(=O)O	814726787	CADOWAOXZCNRGC-YOEHRIQHSA-N	414.889	4.526	50	20	HJGD	
CC(=NNC(=O)COc1ccccc1O)c1ccc2c(c1)Nc1ccccc1S2	814951550	IXQDAUBMNKLIHQ-UHFFFAOYSA-N	405.479	4.520	50	20	HJGD	
CC(C)Oc1ccc([C@H](C)NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1	916411932	AZYGSPCYMJBQLS-HNNXBMFYSA-N	415.559	4.509	50	20	HJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1cc(OC)c(OC)c(OC)c1	917208314	LQHIGHNZIWXKQA-UHFFFAOYSA-N	410.470	4.565	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(F)F)c(F)c2)c1C	917712059	GPEXPEJMWGGIAT-MJOIQJIUSA-N	421.419	4.599	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1C	917760895	LYYMKFHQENGKJZ-KDDDPWNHSA-N	420.557	4.674	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918240247	PMYCNRQTBHFFLS-GDLVEWKHSA-N	408.873	4.539	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1C	918610907	QTIFEBPQSBYXCI-KQWNVCNZSA-N	421.516	4.503	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNC(=O)c2ccccc2Cl)c(C)c1	1317761633	FWGZCKWEQAYJHT-UHFFFAOYSA-N	411.914	4.578	50	20	HJGD	
COC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/C3CCCCC3)cc2)CCC1	1790518109	XDWAVCHUPCSJIH-BNCSFYMNSA-N	418.965	4.511	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)[nH]n1	1815326856	QZCASPQCKYVNCX-VDZJLULYSA-N	416.953	4.613	50	20	HJGD	
O=C(c1ccc(C2CC2)cc1)N1CCC([C@@H]2CCCCN2C(=O)C(Cl)Cl)CC1	1831880128	QOSWCNBKQCXTRN-IBGZPJMESA-N	423.384	4.601	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(C)=O)c3)c2C)cc1	7919024	FRHUHRPLLDCMTN-FYJGNVAPSA-N	413.477	4.851	50	20	HJGD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	45257573	SNNHBVYDYCTDSH-FIJRTHIRSA-N	406.530	4.504	50	20	HJGD	
N#Cc1ccccc1COc1cccc(C(=O)NNc2cccc(Br)c2)c1	195619220	PQOTWHJPJULQQE-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
COc1ccc([C@@H](CNC(=O)CCCC[C@@H]2CCSS2)N2CCCC2)cc1	302709087	MEUWAXSBLAGUET-WOJBJXKFSA-N	408.633	4.662	50	20	HJGD	
Cc1nc(CNC(=O)NNc2c(Cl)cc(Cl)cc2Cl)nc2ccccc12	726714569	FSGYDSNBVUSAEM-UHFFFAOYSA-N	410.692	4.725	50	20	HJGD	
COCCn1c(C)c(C)c2cc(C(=O)NNc3cccc(C(F)(F)F)c3)ccc21	728717013	PFKXKLWEBHVMGE-UHFFFAOYSA-N	405.420	4.680	50	20	HJGD	
COc1ccc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1OCC(C)C	730571370	INHBANKPYINYFH-UHFFFAOYSA-N	423.538	4.546	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)NCc1ccccc1Sc1ccccc1	730583375	FFGKMVRUQDKCLG-UHFFFAOYSA-N	419.550	4.691	50	20	HJGD	
O=C(NNC(=O)C1CCC1)c1oc2ccccc2c1CSc1ccc(Cl)cc1	732140775	JWSJZANLKHMJKT-UHFFFAOYSA-N	414.914	4.940	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1	733928242	QJFSFEXEELSLGD-UHFFFAOYSA-N	401.982	4.888	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(Cl)ccc2OC[C@@H]2CCCO2)n1	743057964	XHQCXMYLOAXBMF-VCHSTOLQSA-N	418.902	4.595	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2cc3cc(Br)ccc3o2)cc1C(F)(F)F	746889215	LOHVJGGCKXXYQZ-UHFFFAOYSA-N	424.176	4.843	50	20	HJGD	
Cc1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)on1	747652117	MZXDTVPFGJPIIA-FYJGNVAPSA-N	410.477	4.767	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H]2CCc3ccc(F)cc32)c(C)n1C[C@H]1CCCO1	747879463	OQNJSWHNVCPOSM-FCRPYYLXSA-N	408.473	4.561	50	20	HJGD	
Cc1ccc(-c2ncc(C(=O)NNc3cccc(Br)c3)s2)c(C)c1	748031863	AHAOSGNEIITPIC-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1cc(Oc2cccc(Br)c2)ccn1	748101902	PQWLAQSOBHEKFZ-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
CC(C)[C@H](CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccnc1	751611154	BDELTIBHAKMBIM-QFIPXVFZSA-N	417.513	4.524	50	20	HJGD	
COc1ccc(C(=O)NNc2cccc(Br)c2)cc1OC1CCCC1	752626205	HOSOCKAZAWAROE-UHFFFAOYSA-N	405.292	4.536	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc1Cl	753301643	ABQUGTUCMVCKAD-UHFFFAOYSA-N	411.874	4.674	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C)n1CC(C)C	754635598	MRRCDUCKXMDDDQ-KJXGJISLSA-N	423.532	4.844	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	755562679	KGAKWINLEKZFFD-UHFFFAOYSA-N	407.442	4.912	50	20	HJGD	
CCCCCCOCc1cccc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1	756241138	YDBJRASYZNTAND-UHFFFAOYSA-N	419.909	4.609	50	20	HJGD	
Cc1ccc(S[C@H](C(=O)NNc2ncccc2[N+](=O)[O-])c2ccccc2)c(C)c1	759292212	PNWXNFOVDHRDRP-IBGZPJMESA-N	408.483	4.583	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)c1	759310831	MJJUNJCZYXUCQV-UHFFFAOYSA-N	416.456	4.752	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)CCc2nc3cc(Br)ccc3s2)c1	760137454	ULTDILBEPJTCSA-UHFFFAOYSA-N	408.296	4.582	50	20	HJGD	
C[C@H](c1ccncc1)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762644801	BWOJZRQOVIXVQH-LLVKDONJSA-N	409.380	4.897	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1csc(-c2ccc(Cl)cc2Cl)n1	766675330	LHECWBSEJKFOGY-UHFFFAOYSA-N	422.322	4.879	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2cc(F)ccc12	768246734	FWQLRBCVJQSBHK-UHFFFAOYSA-N	402.385	4.706	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)n1	770038587	LUJAFFKLONDRRL-UHFFFAOYSA-N	405.833	4.550	50	20	HJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	771137824	YFOMMKKHSJIDOK-UHFFFAOYSA-N	400.841	4.910	50	20	HJGD	
CSc1cc(/C(C#N)=C/c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)ncn1	773171203	IEDJPCJSMYVUHM-MHWRWJLKSA-N	403.467	4.939	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)Nc1ccc(Br)cc1	775387551	BWQCOSMRUSWAOC-UHFFFAOYSA-N	404.186	4.539	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1	776639385	YXOMWUJQPXQSPA-BOPFTXTBSA-N	412.424	4.544	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc3ccccc3n2)cc1NC(=O)c1ccccc1F	777463444	FSIRPYNCEWJJJD-UHFFFAOYSA-N	414.440	4.692	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCOCC2(CCCC2)C1	778082714	PISOGISWBWFCKN-UHFFFAOYSA-N	421.453	4.925	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3cc(-c4ccccc4Cl)on3)c(C)cc2c1	778479013	OFXFQAFZVQGWDH-UHFFFAOYSA-N	408.845	4.617	50	20	HJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1c(Cl)ccc2cccnc12	781118143	JANPQRTWVJPXST-HNNXBMFYSA-N	403.869	4.959	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	781833038	AIESPFRBAQVENC-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
COc1ncc(C)cc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782911723	AIORXLZRTCYYMY-UHFFFAOYSA-N	404.382	4.857	50	20	HJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccc(F)c(F)c2)cc1OC	786053323	QWVBRAIFVZPBSO-VIZOYTHASA-N	420.843	4.639	50	20	HJGD	
COc1cc(C(=O)NNc2cc(Cl)ccc2Cl)cc(Br)c1OC	786426142	DYQYZQUHGZGEKN-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1OC	787145404	QJAAUMQTQTYYQL-ACLQVGRQSA-N	405.281	4.795	50	20	HJGD	
C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	788912986	MUSLSMGHUJSSOA-OLZOCXBDSA-N	422.485	4.743	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NNc1cccc(F)c1[N+](=O)[O-]	790517632	IJUKILCLMCVHEU-UHFFFAOYSA-N	419.413	4.538	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2SC)c1C	799404072	OQCGDSZWBVCMPW-YFGIWCPESA-N	411.571	4.819	50	20	HJGD	
CCOc1cc(C(=O)NNc2c(C)cccc2CC)ccc1OCc1cccnc1	799757095	UXRVDZXICFSSEQ-UHFFFAOYSA-N	405.498	4.687	50	20	HJGD	
COc1ccccc1Nc1ccccc1C(=O)NNc1cccc(C(F)(F)F)n1	800692025	MGRZDLUFPOZRRE-UHFFFAOYSA-N	402.376	4.610	50	20	HJGD	
CC1(C(=O)NNc2cccc(Cl)c2)CCN(c2ccc(Cl)cc2C#N)CC1	804205313	XTFAJPRYGQMFMO-UHFFFAOYSA-N	403.313	4.615	50	20	HJGD	
N#C/C(=C\c1cn2ccc(Br)cc2n1)C(=O)c1ccc(F)c(Cl)c1	811694822	VRCBLBQYMYJYFQ-VZUCSPMQSA-N	404.626	4.679	50	20	HJGD	
N#C/C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cn1	812244802	INEBOBPOCLQNCD-GDNBJRDFSA-N	404.813	4.960	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1c[nH]c(C(F)(F)F)c1	815706091	PUADWKYOYHKTJT-UHFFFAOYSA-N	417.012	4.860	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(OC)c3ccccc23)c1C	915983470	GKIJDPRYABICRT-SFQUDFHCSA-N	402.450	4.760	50	20	HJGD	
O=C(NCCCCn1ccnc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918029855	HDDPDVLLDMNTPG-CQSZACIVSA-N	406.861	4.704	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)N[C@@H](C)c2oc3ccccc3c2C)c1	918085252	XHIWZIVAKXBBAR-KRWDZBQOSA-N	423.513	4.643	50	20	HJGD	
COC(=O)c1ccc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cc1	918558850	JBAZJCYFFRFMID-INIZCTEOSA-N	403.809	4.945	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1C	1122491625	GLBGKNPRSIFTFF-OSEBFDPOSA-N	412.493	4.644	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc([S@](C)=O)cc2)c(C)n1-c1ccccc1F	1318742595	XSXMDVCSRGXLJC-QRXFPATBSA-N	421.497	4.516	50	20	HJGD	
C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1789508961	YCUICMWVMIADNB-LJQANCHMSA-N	423.004	4.706	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1	1790488797	DFZCPUGHEKVAAQ-FOIQADDNSA-N	409.357	4.713	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3)CCC2)cc1	1790493716	VTQOXCVSMAGHBA-HXUWFJFHSA-N	405.325	4.671	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)ccc3C)cc2)CCC1	1790703617	JBSMHXPYUXQEPB-HXUWFJFHSA-N	414.933	4.769	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc(OC)c3C)cc2)CCC1	1792076630	KBYMAORPZBWPGB-LJQANCHMSA-N	414.933	4.769	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC)cc3)CC2)C1	1806163754	XCPFZUWNZAXQPW-HXUWFJFHSA-N	404.982	4.501	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)c1ccc(Oc2ccccc2)cc1	725868989	HIFMHXXMCWUPCU-OAHLLOKOSA-N	421.522	4.734	50	20	HJGD	
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cnc(-c2ccccc2)s1	727252368	VUTBBUJRSPZZDW-UHFFFAOYSA-N	406.294	4.646	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Cl)c1	731490531	ZYSPMNYSMLVIDL-NTUHNPAUSA-N	422.815	4.853	50	20	HJGD	
Cc1ccc(COc2cccc(NC(=O)/C(C#N)=C/c3cc(C#N)n(C)c3C)c2)cc1	732144419	SLNOIHKJFYSPFT-SRZZPIQSSA-N	410.477	4.638	50	20	HJGD	
C[C@@H](NC1(CNC(=O)NNc2ccc(OC(F)F)cc2)CCCC1)c1ccccc1	733656503	BUKYVKARCRAJLP-MRXNPFEDSA-N	418.488	4.578	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	733930212	WMVUURSUGREEHF-UHFFFAOYSA-N	400.774	4.663	50	20	HJGD	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNc3ncccc3Cl)cc12	734247436	KMPGNHGOOOYTBB-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	734247971	HYFWVLZDUKDISP-IBGZPJMESA-N	415.474	4.507	50	20	HJGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	734865724	ZRJFPLYNQDTVCE-CQSZACIVSA-N	415.419	4.503	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)Nc1ccc(C)cc1Cl)c1ccc(Cl)s1	745820210	MXNGDGJHXDVUCG-NSHDSACASA-N	401.319	4.850	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)c(C)n2)c1C	745984927	NPWSEZJPONSGPS-YBEGLDIGSA-N	401.308	4.527	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(C(F)(F)F)ccc2Cl)cc1	753683136	NWYOWESIEIGGCC-JYRVWZFOSA-N	407.779	4.863	50	20	HJGD	
O=C(NN=c1cc[nH]cc1)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1	756185882	CDIITOJAXKDYDF-UHFFFAOYSA-N	407.392	4.570	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	762010966	LTXCFTGIGMPQIG-UHFFFAOYSA-N	411.820	4.909	50	20	HJGD	
CCCCN(CCOC)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762663376	XISACUXUEYPKKL-UHFFFAOYSA-N	404.401	4.558	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNc3nc4ccccc4[nH]3)cc12	768496965	YLHZUMFMLIZXFD-UHFFFAOYSA-N	422.901	4.682	50	20	HJGD	
Cc1ccnc(-c2ccc(NC(=O)NNc3ccc(F)cc3Br)cc2)n1	770030202	KOTVINRSPYBAKT-UHFFFAOYSA-N	416.254	4.502	50	20	HJGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(C)ccc12	774127468	WDLSRZNALIMFNS-XNTDXEJSSA-N	412.898	4.713	50	20	HJGD	
Cc1ncsc1/C=C\C(=O)NNc1c(Cl)cc(Br)cc1Cl	776851627	MFRWYPDMJVGAPB-IHWYPQMZSA-N	407.120	4.677	50	20	HJGD	
CC1(C)[C@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@@H]2CCCO[C@H]21	777976538	WCTVIGXOLZSUDU-BFHYXJOUSA-N	421.453	4.826	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1C	778130287	PKOXYQIHUWFHQH-UFTLVFPDSA-N	413.484	4.703	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)C2CCCC2)ccc1OCC(=O)Nc1ccccc1	781554759	VKHKRKSXABCSTK-ZHZULCJRSA-N	418.493	4.769	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cccc(N2CCCC2=O)c1	782185124	BHORHBVAPSRDSA-UHFFFAOYSA-N	407.539	4.693	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3c2OCC[C@H]3OC)c1C	791090824	BITKFSCOKBLFIK-PGPKDTDWSA-N	407.514	4.921	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cc(F)c(F)cc1C(=O)c1ccccc1	793710337	KYYSJQIXVQMKBI-UHFFFAOYSA-N	403.388	4.501	50	20	HJGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1C	802070639	VIJJTDFEUUSZKI-MRVPVSSYSA-N	418.712	4.589	50	20	HJGD	
CSSCCNC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C	803472434	CEOMLDPFZYIUEX-UHFFFAOYSA-N	402.541	4.765	50	20	HJGD	
O=C(NNc1ncccc1F)c1ccccc1OCc1ccc(Cl)cc1Cl	804213094	KTNPGTUYSDWQJU-UHFFFAOYSA-N	406.244	4.863	50	20	HJGD	
Cc1csc(SCc2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3C)cc2)n1	805384259	BDTZWNPUBLYIFR-UHFFFAOYSA-N	414.512	4.717	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccnc(-c2ccc(Cl)cc2)n1	807150860	BGWDJKJSNLCYIG-UHFFFAOYSA-N	410.758	4.712	50	20	HJGD	
CC(C)c1ccc(Sc2ccc(NC(=O)C(=O)NNc3ncccc3F)cc2)cc1	807301692	OXOQCJGSPKSNSW-UHFFFAOYSA-N	424.501	4.577	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NNc2cccc(C)c2)cc1	849610612	LJPSULFYSIZIPI-UHFFFAOYSA-N	412.493	4.542	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1C(=O)O	915855385	ALNZZRMPMIOUPI-LCYFTJDESA-N	409.854	4.707	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OC(F)F)c1ccc(COc2ccccc2)o1	915952866	MUHIQBGTXAVRQR-UHFFFAOYSA-N	420.799	4.877	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccc(CSC(F)F)o1	916294857	JHZIGHZVGGVBIG-UHFFFAOYSA-N	416.449	4.932	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2nc(C)cs2)ccc1OCc1ccc(C(=O)OC)o1	917042299	JSHJOADWRRYRCW-SXGWCWSVSA-N	424.478	4.873	50	20	HJGD	
CC(C)Oc1cccc([C@@H](C)NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1	918214169	VUTUNZFTGMQPKY-LLVKDONJSA-N	416.831	4.928	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccc(Br)cc2)cn1)c1ccccc1	918320211	VTSYDLUHACZNFF-CQSZACIVSA-N	412.287	4.741	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)c2nnc(COc3cc(C)ccc3C)o2)c1C	1117173720	PNBLSKCWAHJTGT-UTYYKHSJSA-N	420.513	4.955	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc([S@@](C)=O)cc2)c(C)n1-c1ccccc1F	1318742596	XSXMDVCSRGXLJC-VUGWLOFNSA-N	421.497	4.516	50	20	HJGD	
Cc1sc(-n2cccc2)c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c1C	1319481714	DHYXPMXUCOODPC-UHFFFAOYSA-N	409.433	4.854	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cc2sccc2[nH]1	1788584461	CLIXYWHBRICHGU-INIZCTEOSA-N	405.882	4.512	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820904844	GYDCCLKJYGWPJB-IENJSVCTSA-N	420.985	4.803	50	20	HJGD	
CC(C)(C)CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)Cl)[nH]n1	1822116053	UFCMLSGIPNSYKF-MAUKXSAKSA-N	414.953	4.933	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccccc2)no1	728439875	QGWDPDAJVAELGQ-OVCLIPMQSA-N	400.419	4.653	50	20	HJGD	
Cc1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2)c2ccc(F)cc2Cl)cc1	731044409	RFZKRRUKQWELNL-HXUWFJFHSA-N	411.864	4.521	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c1C	732647545	WSDHGJZAPLVPRN-UYRXBGFRSA-N	422.504	4.717	50	20	HJGD	
COc1cc(OC)c(NC(=O)NN=C(C)c2ccccc2OC(F)F)cc1Cl	741768896	CRFQQVAYHMEVNE-UHFFFAOYSA-N	413.808	4.504	50	20	HJGD	
CCc1ccc(-c2ccc(C(=O)NNc3cc(CC)nc(-c4ccccn4)n3)o2)cc1	743375031	LPKADVMIIKFECY-UHFFFAOYSA-N	413.481	4.680	50	20	HJGD	
COc1ccc2sc(C(=O)NNC(=S)Nc3cccc(Cl)c3)c(C)c2c1	743821877	WRLSZYHTJLCEEZ-UHFFFAOYSA-N	405.932	4.503	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1SC	746487290	XDIKWJHOEGGGEA-UHFFFAOYSA-N	424.497	4.899	50	20	HJGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	746770021	IEULTAYNQSQAQV-XXFAHNHDSA-N	405.873	4.998	50	20	HJGD	
CCCCCCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1	747033545	HKCGWWWADKFVCD-LTGZKZEYSA-N	419.525	4.893	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)c1	748417214	UZFCLWLJTMZURW-UHFFFAOYSA-N	413.319	4.625	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cnn(-c2ccccc2F)c1C(F)(F)F	748587869	CVVOQRUJHPNLAM-UHFFFAOYSA-N	418.394	4.666	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc1	748719848	BXUQCHZDBTYYKV-LCYFTJDESA-N	401.344	4.791	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)CCNC(=O)CCCC[C@H]1CCSS1	750750075	GEUPBZAFWVZMFB-AWEZNQCLSA-N	400.997	4.807	50	20	HJGD	
C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)NNC(=O)c1cc2ccccc2o1	766535364	VRHKKWQZJCFKNB-CHWSQXEVSA-N	419.403	4.588	50	20	HJGD	
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)[C@@H](Br)C(C)(C)C	767333553	VEMKMCQJOBEQBN-CXAGYDPISA-N	409.368	4.615	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2[N+](=O)[O-])c(C)c1	767717829	OOJOHOPIUAABOE-RIYZIHGNSA-N	400.232	4.520	50	20	HJGD	
Cc1nnc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)s1	773425285	QFSFCLFRKNIEQW-LZYBPNLTSA-N	412.902	4.558	50	20	HJGD	
CC(C)CCOc1cccc(NC(=O)C(=O)NNc2c(Cl)cccc2Cl)c1	773695033	YKNMJJSCOKAZKW-UHFFFAOYSA-N	410.301	4.500	50	20	HJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNC(=S)Nc2cccc(Cl)c2)s1	773740712	ORMMMIJORZQXLJ-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
CCN(CC)c1nc2sc(C(=O)NNc3ncc(Cl)cc3Cl)cc2s1	775269773	QOYPFUZTBJBNRY-UHFFFAOYSA-N	416.359	4.663	50	20	HJGD	
COc1ccc(O)c(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777639806	IJXYYOKZCBVACO-UHFFFAOYSA-N	405.366	4.859	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccccc1NCc1ccccc1	779207058	LBJAZCNWJZCSPL-UHFFFAOYSA-N	401.388	4.954	50	20	HJGD	
O=C(NN=Cc1c[nH]nc1-c1ccsc1)c1cc(-c2ccncc2)nc2ccccc12	780189066	UVWFBAKBQTTWRS-UHFFFAOYSA-N	424.489	4.512	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCN(c3ccc(C#N)cn3)CC2)cc1	792863334	UXNOZJKROCIQCW-UHFFFAOYSA-N	422.649	4.797	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)c(Br)c(Cl)c1	795298385	VMYDXAIZOAKTOB-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
Cc1ccncc1CN(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	797376986	JAGXDZKYYRIPDX-UHFFFAOYSA-N	409.380	4.645	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C)n1C[C@@H]1CCCO1	798017527	QJXGRDROGPTUPV-LWIFNOEVSA-N	423.944	4.517	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H]2C[C@@H](c3ccccc3)C2)c(C)n1C[C@@H]1CCCO1	809104467	PRILCLVHLJNLOO-VIFVORCISA-N	404.510	4.680	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ncc(C2CCCCC2)s1	813049083	WZTRFJJOMAGGGD-UHFFFAOYSA-N	400.548	4.704	50	20	HJGD	
CO[C@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)c1sc2nc(C)cc(C)c2c1N	814777866	YUQMBOABJXKYCH-AEFFLSMTSA-N	422.554	4.564	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1ccccc1CSc1nc2ccccc2o1	817005921	OOWOJKYXXTUAPR-UHFFFAOYSA-N	410.886	4.925	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1	817882225	FADVWDGLAWUOLB-UHFFFAOYSA-N	409.467	4.902	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c1	841464753	SENVXWOPZBZZNB-UHFFFAOYSA-N	400.482	4.595	50	20	HJGD	
COc1cc(C)nc(NNC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)n1	857459283	HRRYOGUWEYCTTG-UHFFFAOYSA-N	421.259	4.663	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)C(=O)c1c[nH]c2cc(F)ccc12	915989772	DDXWJWAOQAJPRL-APSNUPSMSA-N	404.832	4.995	50	20	HJGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)Nc1nc(-c2ccncc2)cs1	916132834	SWFMZGHMVLCRSV-ZROIWOOFSA-N	400.385	4.770	50	20	HJGD	
CCOc1cccc(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1OC(F)F	916357031	WLKGQLORWDOKKJ-GFCCVEGCSA-N	408.470	4.637	50	20	HJGD	
O=C(NN=Cc1ccccc1OC1CCCC1)c1ccc(COc2ccccc2)o1	920369755	CKHIJJYLISRNQN-UHFFFAOYSA-N	404.466	4.944	50	20	HJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)c1ccc(F)cc1Br	921258131	LSWKLXCPQBUIMO-UHFFFAOYSA-N	420.065	4.668	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3C)cc2)CCC1	1789964694	SGCBAPZZIHGPJK-HXUWFJFHSA-N	413.949	4.854	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(O)c3)CCC2)cc1	1790489166	SZNWMFNYQPYRKE-BESKYLIDSA-N	412.917	4.557	50	20	HJGD	
Cc1cc(F)ccc1C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791607258	QQPCFOOJYJDWIU-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
Cc1cccc(F)c1C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1792083761	IWXBWCDGZRGUBK-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)CC1	1831505710	BTDQFDHIMINBHT-COPCDDAFSA-N	419.009	4.817	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@@H](C)c1cc2ccccc2o1	10467149	YRXFJPQMYQPXOT-ZDUSSCGKSA-N	420.494	4.570	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(F)cc2Cl)c(C)n1C[C@H]1CCCO1	11244080	LHPAJSVDXNQOGI-KHVWPYCOSA-N	416.880	4.727	50	20	HJGD	
N#CSc1ccc(NC(=O)CC2(C(=O)O)CCCCCC2)c(Br)c1	13254357	VIFPVDWEHPPHPS-UHFFFAOYSA-N	411.321	4.776	50	20	HJGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	207911168	HMMAZNHYFWVQSD-XFXZXTDPSA-N	419.231	4.868	50	20	HJGD	
O=C(CSc1nc2ccccc2s1)NN=Cc1csc(-c2cccs2)n1	728426921	FAOZUDGIOGTPAC-UHFFFAOYSA-N	416.578	4.724	50	20	HJGD	
Cc1ccc([C@@H](NC(=O)NNC(=O)OC(C)(C)C)c2ccc(F)cc2Cl)cc1	731119133	NPIHAMZABMWEAV-QGZVFWFLSA-N	407.873	4.616	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cc2ccccc2nc1N1CCCCC1)C1CCCCC1	732804660	VPKJHTBKCIQDQM-FXBPSFAMSA-N	402.542	4.923	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccc(OCc3ccncc3)cc2)cc1	733416632	JASOUEXWPHHCOQ-JCMHNJIXSA-N	414.461	4.710	50	20	HJGD	
CC[C@@H](Cc1cccc(Br)c1)C(=O)NNc1nccc2sccc12	735332359	XOFLNEJANCGZSQ-ZDUSSCGKSA-N	404.333	4.771	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccnc(Oc2ccccc2Cl)c1	735638132	ZHYBZPCGJZKUEY-UHFFFAOYSA-N	405.285	4.832	50	20	HJGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	737667130	TWIYHXGOGPLADA-PJMHOZITSA-N	408.546	4.869	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccc(F)cc1)c(C)n2Cc1ccccc1	737777121	IENNLQMINIBIKX-UHFFFAOYSA-N	403.457	4.903	50	20	HJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(Br)c(OC(F)F)c(OC)c1	741469735	MJWZQCUBGHNYIV-PQTFEYQYSA-N	402.235	4.971	50	20	HJGD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)cc1	741511430	VCWMRYRFHBVBGE-UHFFFAOYSA-N	415.537	4.653	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)[C@H]1CCOC1	741756650	JITMNSPYYJOXCW-KRWDZBQOSA-N	411.552	4.731	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1	744502445	QLZWQLVQHFKZIM-GZQZNAIASA-N	407.857	4.834	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)NCc2cccc(Cl)c2Cl)cc1	746963602	IQYFPUFZOXCUDS-UHFFFAOYSA-N	424.328	4.563	50	20	HJGD	
COc1cc(C(=O)NNc2ccccc2Br)ccc1OC1CCCC1	748065723	IAUYOPCJBIIXEX-UHFFFAOYSA-N	405.292	4.536	50	20	HJGD	
O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NNc1ccccc1Cl	748307699	PFEGVNPOWJWMHU-UHFFFAOYSA-N	406.939	4.609	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1	749621882	GNAUGKLGZXAERO-CPNJWEJPSA-N	417.440	4.635	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc([S@@](C)=O)cc2)c(C)n1C1CCCCC1	752446277	XSJPWVBUSAAJHT-QUALYTPQSA-N	423.582	4.571	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3ccc(F)cc3)CC2)c1C	752455824	FMZUKILRGRSBAW-UEIZDATPSA-N	423.532	4.765	50	20	HJGD	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	752485503	NXNINNWKQXERLD-VUODPORTSA-N	409.461	4.957	50	20	HJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)c1nc(O)c2cc(Br)ccc2n1	755404714	BCNALIFFNZFEOQ-YHYXMXQVSA-N	404.626	4.955	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(F)cc2Cl)nn1)c1nc(-c2ccncc2)cs1	755589624	YPIYNAQQIYOMBH-QPEQYQDCSA-N	408.849	4.642	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cncc(-c3ccccc3)c2)cc1	758149034	QKLYOVFOVLQSIE-UHFFFAOYSA-N	404.539	4.723	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2ccncn2)ccc1OCCOc1ccc(F)cc1	758915190	XFXXDCMSBHQUGD-QGOAFFKASA-N	405.429	4.536	50	20	HJGD	
O=S(=O)(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc2nc(O)oc2c1	762455531	AIEROZSJZCWGAZ-UHFFFAOYSA-N	416.349	4.992	50	20	HJGD	
CCOC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762660864	FDHNNIWSFCYWJD-LBPRGKRZSA-N	416.412	4.558	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cc(F)ccc1OCC(F)(F)F	769940271	MCGFRLMXYYETCW-UHFFFAOYSA-N	400.357	4.525	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)NNc3ccccc3F)ccc21	770026235	KTELMFBXCPYYPL-UHFFFAOYSA-N	400.454	4.662	50	20	HJGD	
O=C(NCCc1cccs1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772817729	ZUQZIIKHSJQABX-UHFFFAOYSA-N	400.394	4.703	50	20	HJGD	
CCOc1ccc(-c2nc(C(=O)NNc3ncc(Cl)cc3Cl)cs2)cc1	775266274	JBTHYFNVOGGMGP-UHFFFAOYSA-N	409.298	4.668	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2c(F)cc(Cl)cc2F)c(C)n1C[C@@H]1CCCO1	775498848	CIGHHECYVSUNJM-OLMDTSMNSA-N	419.859	4.761	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)NNc3ccccc3Cl)cccc21	779010769	NBOGINSMGWWAQV-UHFFFAOYSA-N	401.894	4.785	50	20	HJGD	
O=C(NN=Cc1c(Cl)ccc2cccnc12)c1cc(F)ccc1Br	781122689	RGCOJIGSUFWKIW-UHFFFAOYSA-N	406.642	4.554	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CCCC[C@H]2CCSS2)CC1	781367183	ZEFJIIZAQNPDGL-CVEARBPZSA-N	402.626	4.606	50	20	HJGD	
COCc1nc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cs1	782346864	FOGVVBHQWFEPFG-VXLYETTFSA-N	421.522	4.656	50	20	HJGD	
COc1ccc(CN(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cn1	782988710	VQQBVULWBNNSAP-UHFFFAOYSA-N	418.409	4.568	50	20	HJGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)cc1	783346700	YMPVQXSHMMOUKI-UHFFFAOYSA-N	405.523	4.510	50	20	HJGD	
COc1ccc(NC(=O)[C@H](OC(=O)/C(C#N)=C\c2ccccc2)c2ccccc2)cc1	785347097	VYAGTWVEHCMWAK-VUHHOQONSA-N	412.445	4.525	50	20	HJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)NCc2ccc(F)cc2F)cc1	786053627	OGCFXFBJMSWVFE-UNOMPAQXSA-N	404.416	4.864	50	20	HJGD	
COc1cc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)ccc1OCCC(C)C	787028577	DLXFXIVMQJAGLK-NNIWKIFQSA-N	408.498	4.610	50	20	HJGD	
CC(C)c1ccc(C(=O)NNc2nc(-c3ccccn3)nc3c2CCC3)cc1Cl	788002027	QYAZJFDSLCMSSX-UHFFFAOYSA-N	407.905	4.561	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCCSc2ccccc2)c1C	790090861	PUIQNSZHHUJSEG-ALDSOSFCSA-N	411.571	4.518	50	20	HJGD	
O=C(O)CC[C@H]1CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	790620931	IQQKGNRDGDMBAD-LLVKDONJSA-N	423.425	4.610	50	20	HJGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1	799740803	DGQUXNJUDYMAMC-QXMHVHEDSA-N	405.223	4.763	50	20	HJGD	
Cc1noc(C(C)C)c1C(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	802068713	HAMWWVKWOCORLH-UHFFFAOYSA-N	405.669	4.533	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3c(s2)CSCC3)c1C	804358835	ULUXHFLDROBRNH-MHWRWJLKSA-N	400.573	4.697	50	20	HJGD	
CC[C@H](c1ccccc1OC)N(C)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	809281461	YDZRABARQTYUOG-OUFZILDSSA-N	423.557	4.838	50	20	HJGD	
COc1cc(C(=O)NN=Cc2c[nH]nc2-c2ccc(C)cc2)ccc1OCCC(C)C	812439820	ZZMYEGPMPURSIS-UHFFFAOYSA-N	420.513	4.583	50	20	HJGD	
CCc1sc(C(=O)NNc2ccc(Br)cc2)cc1Br	815851522	KDCAXCSJIFTZDJ-UHFFFAOYSA-N	404.127	4.592	50	20	HJGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C	817015580	IRPZPZFNSAEERX-YGRLFVJLSA-N	410.358	4.809	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cn(-c2ccc(Cl)cc2)nn1	914748648	VEJJKHGLRVDWIV-UHFFFAOYSA-N	417.083	4.638	50	20	HJGD	
COc1cc2cc(C(=O)NN(c3ccccc3)c3ccccc3)[nH]c2c(OC)c1OC	914783220	XMNXWEUBIVZSLT-UHFFFAOYSA-N	417.465	4.677	50	20	HJGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1	916518425	VZHIPWKBOBMTDR-NRFANRHFSA-N	421.497	4.590	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(SCc2ccccc2)cc1	916735070	GEFGSPANVIQCIZ-UHFFFAOYSA-N	410.926	4.636	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccc(OCC(F)(F)F)cc2)cc1	918976713	MSYRQNNOZAKHRK-GZTJUZNOSA-N	405.372	4.677	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)ccc1OC(=O)C1CC1	920398467	IXRMEKQFSSUHSB-LICLKQGHSA-N	400.434	4.590	50	20	HJGD	
Cc1ccc(NNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1Cl	1115830515	IEYUNQQHKZLFKJ-SFHVURJKSA-N	421.928	4.797	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(Cl)c(F)c2)c1C	1319754934	TVUBBBKWPAFOAZ-CVKZBDHRSA-N	417.912	4.889	50	20	HJGD	
CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCCCl)C2	1792706320	FXNXXENVMZFKHZ-ACDBMABISA-N	424.029	4.924	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)ccc2C)n[nH]1	1823143045	RFGLNQBVYNNWQP-PKOBYXMFSA-N	416.953	4.740	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1	7158603	UATSMDHOCHLPOJ-WUXMJOGZSA-N	406.225	4.764	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cs1	7164448	GEKJFMPQJCUCSC-LDADJPATSA-N	416.506	4.990	50	20	HJGD	
CC(C)c1ccc([C@@H](NC(=O)NNC(=O)c2cn(C)c3ccccc23)C(C)C)cc1	10260204	GQCLHMYVJXKGCW-QFIPXVFZSA-N	406.530	4.643	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(SC(=O)N(C)C)cc2)c1C	208366888	TWWYGUZTAPJOLE-QGOAFFKASA-N	410.543	4.834	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3nccs3)cc2)c1C	302888589	AFPSNAMDXWUUGD-DEFALTHMSA-N	420.538	4.982	50	20	HJGD	
C[C@H]1CC[C@H](NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1	730985031	MOEWEKMKVUEBMT-LSTNGWQUSA-N	421.932	4.719	50	20	HJGD	
C[C@](CO)(NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccccc1	735863838	LNTPFGRWZDDHKX-DOTOQJQBSA-N	418.868	4.935	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)c1cc(F)ccc1F	740799930	WPOJYDKRWPGRJL-JOMNMOIBSA-N	415.484	4.765	50	20	HJGD	
O=C(NCc1ccco1)NNC(=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1	741676790	STTWBJROOXEZFY-UHFFFAOYSA-N	422.243	4.537	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)NCCc2cc(Cl)cc(Cl)c2)c(Cl)c1	743565296	VPTSGXHGMISCNH-UHFFFAOYSA-N	415.708	4.534	50	20	HJGD	
CC(=NNC(=O)c1sc2nc(C)cc(C)c2c1N)c1ccc2ccccc2c1O	744776101	PVPJOVRXZQEAPV-UHFFFAOYSA-N	404.495	4.508	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c1C	748647642	VFYDWCBLBMQQCF-UDWIEESQSA-N	416.481	4.906	50	20	HJGD	
COC(=O)CC1(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCOCC1	752979561	CGSKCYMXCHLQTE-UHFFFAOYSA-N	418.384	4.578	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C1(c2ccccc2Cl)CCOCC1	754144374	YIPOVOGRABZFMI-UHFFFAOYSA-N	416.802	4.689	50	20	HJGD	
N#Cc1ccc(OCc2ccc(C(=O)NNc3cc(C(F)(F)F)ccc3F)o2)cc1	754154007	QLYAIZRGFHESPF-UHFFFAOYSA-N	419.334	4.645	50	20	HJGD	
CCOc1ccc(-c2nc(COC(=O)/C(C#N)=C/c3ccc(O)cc3)cs2)cc1	754551140	USZAVSVRRVUPKT-GZTJUZNOSA-N	406.463	4.565	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cccc1-c1ccccn1	755181632	ZVGDSWMWVRDCEA-UHFFFAOYSA-N	401.388	4.755	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(Oc2ccccc2Cl)cc1	755197108	CNAMLXHDZNNGNT-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H]1c1ccccc1Br	768252928	OJFXGRRTEILVGX-UONOGXRCSA-N	403.158	4.922	50	20	HJGD	
C[C@@H](CCC1CC1)NC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	769281081	CWQHMXHIDLRVQY-QFYYESIMSA-N	408.873	4.539	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1	771178629	BAWFMVUUFWWLHR-UHFFFAOYSA-N	407.232	4.840	50	20	HJGD	
CCCCn1ncc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1C	772150713	HKUBOUQLNDEKMY-UHFFFAOYSA-N	420.138	4.818	50	20	HJGD	
CC1(C)CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCS1(=O)=O	772356314	NEWFJLPQZOFFTC-UHFFFAOYSA-N	422.441	4.775	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	773162351	KVDPNCPQLPHWEQ-GXDHUFHOSA-N	423.831	4.631	50	20	HJGD	
Cc1coc2ccc(NC(=O)NNC(=O)COc3ccccc3-c3ccccc3)cc12	776085806	UQOWZIUVPGWYAF-UHFFFAOYSA-N	415.449	4.640	50	20	HJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3ccc4ccccc4n3)c2c1	777465115	DWGQPILASLRIOP-UHFFFAOYSA-N	405.461	4.910	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(OCc2ccccc2C#N)c1	777478275	ULUYKSNESHQRNV-UHFFFAOYSA-N	408.461	4.751	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)CCCC[C@@H]2CCSS2)C1	784750444	KJIODMCYIWOCRX-UZLBHIALSA-N	416.653	4.854	50	20	HJGD	
Cc1cccc(Nc2ccccc2C(=O)NNc2nnc(-c3ccccn3)s2)c1C	788555878	XEJAKLJQVDCWKG-UHFFFAOYSA-N	416.510	4.717	50	20	HJGD	
NC(=O)c1ccccc1CCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	791493436	LKDKKDOPTBJNEE-QGZVFWFLSA-N	416.852	4.576	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cnc(-c2ccc3c(c2)OCO3)s1	791726556	JUOMSFRPGOGVRB-UHFFFAOYSA-N	408.266	4.603	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1ccccc1Br	793709039	KPXAPDBYLVBRIY-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
COCCC[C@@H](CNC(=O)NNc1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1	807410325	WPGPCTGZTJNQGQ-ZDUSSCGKSA-N	415.843	4.594	50	20	HJGD	
C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc(F)cc1	813041876	POBPXLFCOCTHQE-OAHLLOKOSA-N	422.350	4.912	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc2c3c([nH]c12)CCCC3	913686923	DWUJYPBGVCZHRX-UHFFFAOYSA-N	418.375	4.731	50	20	HJGD	
CCN(Cc1ccccc1C)C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	914504524	HZOQVLZHHQWEJG-PQBKBUHISA-N	405.542	4.548	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc(Cl)c1O	915850567	DBJBBOVMAQMLRI-WDZFZDKYSA-N	413.886	4.707	50	20	HJGD	
O=C(COc1ccc(Br)cc1)NN=Cc1ccccc1-c1ccccc1	917534776	OKKJRTZWDMMEMD-UHFFFAOYSA-N	409.283	4.645	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2-n2cncn2)c(C)n1CC(C)C	918592471	INFJEZMTRZAVSL-NVMNQCDNSA-N	422.920	4.541	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)OCc1cn2cc(Br)ccc2n1	918954530	BOUDNFRAULUDKV-AWEZNQCLSA-N	415.378	4.854	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)c(Cl)c2)c1C	919851040	TXXJXEHGPHWZTR-PACYTGELSA-N	414.937	4.577	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(Cn3c(C)nc4ccccc43)o2)c(C)n1CC(C)C	1261428354	JKIDFDBZMRBYFC-JAIQZWGSSA-N	414.513	4.915	50	20	HJGD	
C[Si](C)(C)OCC(=O)Nc1ccc(C2(NC(=O)CCc3ccccc3)CCC2)cc1	1789648565	RNAQRPCPLBXHJM-UHFFFAOYSA-N	424.617	4.605	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cccc2nscc12	1790941579	IBFBMWPHPNWEDP-KRWDZBQOSA-N	417.893	4.578	50	20	HJGD	
O=C(CCCCCCCCCCCl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796812199	ZDNJZUMMWNRKKY-ZMMAXQRCSA-N	423.400	4.909	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)CCc3ccccc3C)CC2)C1	1806162042	HUDHJNMDDMQVJA-NRFANRHFSA-N	419.009	4.566	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Cl)n[nH]1	1820423028	LDLPWTDKNOAYDY-WBVHZDCISA-N	423.344	4.777	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)s2)CC1	1824611941	RGVOCGGVXHIKCA-ROUUACIJSA-N	411.011	4.697	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1	16409945	NZGJSAUUIMRLGM-WOJGMQOQSA-N	420.900	4.756	50	20	HJGD	
C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	23893285	NMERRDSGFRGICX-WOVJWYHUSA-N	406.492	4.739	50	20	HJGD	
COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2ccc(C#N)cc2)cs1	63279069	ZRCSECDFLGQSOV-CAOOACKPSA-N	403.463	4.772	50	20	HJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC	206861156	XZNMHWPVQQYYOT-NTUHNPAUSA-N	421.280	4.955	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(C2CC2)nc2ccccc12	725905386	XHGADLQLWYAKRB-UHFFFAOYSA-N	416.359	4.796	50	20	HJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1	726427983	CELVDERRRRBKCE-DDLUMYACSA-N	407.466	4.583	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)Nc1ccccc1Cl	728437439	CWFXLANCJWCMCW-NTUHNPAUSA-N	409.854	4.738	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3cccc(C(F)(F)F)c3)cs2)cc1OC	730596022	GFGJJXLTYTXXDH-UHFFFAOYSA-N	423.416	4.603	50	20	HJGD	
O=C(CCc1ccc(OC(F)F)cc1)NNc1ccc(Br)cc1Cl	733808272	MRVGPRLSMOHDPN-UHFFFAOYSA-N	419.653	4.780	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2cnnc3ccccc23)c(C)c1	733811834	PIKYSDBMUGJROM-UHFFFAOYSA-N	401.495	4.550	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)C2CCOCC2)c1C	734352117	OAPFCAPVAGDLDE-HDMRQQGGSA-N	405.542	4.706	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1	740765504	DMJBXXYZYGMXNC-MTJSOVHGSA-N	418.928	4.733	50	20	HJGD	
O=C(NNC(=O)N[C@H]1C[C@H]1c1c(F)cccc1F)Nc1ccc(-c2ccccc2)cc1	743616932	PCCWAJZBONNNCS-XLIONFOSSA-N	422.435	4.524	50	20	HJGD	
Cc1ccc(C)c(SCc2cccc(C(=O)NNC(=S)NCC3CCC3)c2)c1	743823766	YPWHARZAXWFJKW-UHFFFAOYSA-N	413.612	4.505	50	20	HJGD	
N#Cc1ccc(NNC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1C(F)(F)F	746893321	KIFCRDXXJWARNX-OAHLLOKOSA-N	401.310	4.756	50	20	HJGD	
CC(C)Cn1ccc2cc(NC(=O)C(=O)NNc3ccc(Cl)cc3Cl)ccc21	748724215	HIZNXWGYYXNECW-UHFFFAOYSA-N	419.312	4.686	50	20	HJGD	
CCSc1ccccc1C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12	751205734	JNWVUCSFGNSEEY-UHFFFAOYSA-N	417.490	4.682	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c(C)n1C[C@@H]1CCCO1	751350738	DATDGPQNDXOJCB-HXRKBESOSA-N	417.553	4.596	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(F)cc2Br)cc1OC1CCCC1	752626204	HEHYSEJJRHKICE-UHFFFAOYSA-N	423.282	4.675	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	755480234	OCJXEGQPQMKRQV-LRDDRELGSA-N	419.298	4.726	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1C	755620273	JCAGSDLYIBQWCH-UDWIEESQSA-N	415.497	4.988	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(Oc2ccc(F)c(F)c2)cc1	755855742	ARVWPWHMSFIOCX-UHFFFAOYSA-N	415.343	4.989	50	20	HJGD	
C=C[C@@H](CC(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1	760132523	PWEBXZJOEXCZCN-IBGZPJMESA-N	420.534	4.631	50	20	HJGD	
O=C(NCCCOC1CCCC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762646509	WIGZYCPNULNPFR-UHFFFAOYSA-N	416.412	4.748	50	20	HJGD	
C[C@@H](c1cccnc1)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762648503	YMCQTPOZQORJFO-NSHDSACASA-N	409.380	4.897	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(C(F)F)cc2)c1C	764490736	XCRMFASDZUPIQW-IXJMWADBSA-N	402.441	4.900	50	20	HJGD	
N#C/C(=C\c1ccc(Br)cc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1	767723985	ZMPATLCJQCWYKS-NTUHNPAUSA-N	413.256	4.940	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(OCc3ccccc3F)CC2)c1C	768895973	UXGYHSUINHZBHC-JCMHNJIXSA-N	423.532	4.769	50	20	HJGD	
C[C@@H]1CC(=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CCO1	773187835	QBNXEMLFSVAEAT-CQSZACIVSA-N	411.552	4.873	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cn(C)nc2-c2ccccc2)c(C)n1CC(C)C	774211884	OUGWHRRCLYVRRP-CIAFOILYSA-N	401.514	4.707	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)cc(Br)c1O	776256964	ICPQSPVXFPJZFU-SDQBBNPISA-N	424.197	4.555	50	20	HJGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)CCO1	781970450	PFYNZRUCDQBWOU-ABAIWWIYSA-N	423.273	4.752	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CCC[C@@H](C(F)(F)F)C2)cc(OCC)c1OCC	783507081	AEAIGBQOQYPXHH-CQSZACIVSA-N	416.440	4.721	50	20	HJGD	
COc1cc(C(=O)NN=C2CCC[C@H](C(F)(F)F)C2)ccc1OCCC(C)C	783509052	JIIWHBUCKVEOHV-HNNXBMFYSA-N	400.441	4.958	50	20	HJGD	
CSSCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	789698262	ROGGQGIQSUJRPS-INIZCTEOSA-N	411.936	4.529	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2N2CCCCC2)c1C	789971144	RQQMUNLOPLHVFM-QTCOBDOFSA-N	420.557	4.848	50	20	HJGD	
N#C/C(=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1cnc2ccccc2n1	790230483	BGUSEGTYLGOMTQ-RQZCQDPDSA-N	405.383	4.958	50	20	HJGD	
C[C@H](c1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1)N1CCOCC1	792301381	JRNFPAPINUBVJT-CYBMUJFWSA-N	409.317	4.535	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c1C	794214202	QVADFCMXTKYGCA-BYINCCNUSA-N	417.513	4.557	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(Cl)c(CN2CCOCC2)c1	797700184	VJILOMOYELSQIL-QGZVFWFLSA-N	415.024	4.825	50	20	HJGD	
O=C(NNc1ncccc1F)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	806271457	ZTKDYALFQITWGE-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
NC(=O)Cc1ccc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	809890201	WRWBTONAGYCYDE-UHFFFAOYSA-N	409.380	4.694	50	20	HJGD	
COc1ccc(NNC(=O)c2csc(-c3ccccc3F)n2)c(C(F)(F)F)c1	816703262	WMLANXYGNYSVBG-UHFFFAOYSA-N	411.380	4.734	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2F)c(C)n1C[C@@H]1CCCO1	862960248	CELZYAXKNYRLNB-RNIVLKNTSA-N	401.869	4.622	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccco3)cs2)c(C)n1C[C@H]1CCCO1	916056373	GICAUPIFPRZBJD-WAFWZSCLSA-N	422.510	4.546	50	20	HJGD	
Cc1ccc(C(C)C)c(Oc2ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc2[N+](=O)[O-])c1	916138000	ATPOFVFAZXRMQP-RQZCQDPDSA-N	413.437	4.986	50	20	HJGD	
CCCOc1cc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)ccc1OC	916348608	BLKQNFOBOCBZMA-UHFFFAOYSA-N	409.511	4.680	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	917145230	OMSUGPBPULUUBS-JPVKTXQWSA-N	404.901	4.927	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1C	920208125	ANYNROOBKJWWFO-CQSZACIVSA-N	409.477	4.834	50	20	HJGD	
CCOC(=O)c1ccn(-c2cccc(NC(=O)CCCC[C@@H]3CCSS3)c2)n1	1317938985	WWGDCMQBYKSTBG-QGZVFWFLSA-N	419.572	4.702	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)C(F)(F)c1ccc(Cl)cc1	1318837568	HTGXWTGHRBOMRX-UHFFFAOYSA-N	411.580	4.616	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1ccc(C(C)(C)C)nn1	1339253804	VRJCITXHBWPBKP-UHFFFAOYSA-N	401.923	4.616	50	20	HJGD	
C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1791161109	SIRUWBTZQGSLCF-KUHUBIRLSA-N	420.887	4.673	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2)CC1	1830309194	HDXNRSAUBVCVEZ-MOPGFXCFSA-N	411.373	4.591	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)[C@H]2C[C@H]2C2CC2)C1	1841274214	ZBZQBMPIWLLPPL-SFTDATJTSA-N	423.041	4.986	50	20	HJGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc1C	209227183	VRFDQYRKMPXPEE-VBKFSLOCSA-N	402.406	4.713	50	20	HJGD	
N#C/C(=C\c1cc2c(cc1Br)OCO2)c1nc2cc(F)ccc2s1	730148877	OBZGGJKMLIOJKZ-XCVCLJGOSA-N	403.232	4.991	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)cc1	732129830	PTDQSKXAPFZQEP-PKIWBCANSA-N	407.514	4.517	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC(n2ccnc2)CC1	732416453	MVZBWWWUZQEINK-OAHLLOKOSA-N	418.872	4.971	50	20	HJGD	
CCOC(=O)C1(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCC1	741057456	XAPJHPOVJWEQNY-ZDUSSCGKSA-N	424.872	4.761	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)c1C	744374176	MRSWURPTMQQHQD-BOPFTXTBSA-N	405.420	4.624	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OC(F)F)cc2)c2cc(Br)ccc2n1	748644540	OKGQEROXIKKELK-UHFFFAOYSA-N	422.229	4.664	50	20	HJGD	
Cc1ccccc1[C@@H]1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)C1	750768236	DZEKSWLZBYTMCY-LTIGVWNYSA-N	417.553	4.515	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccc3C)C2)c1C	750769882	YPSNXUZJYAWTPT-QNZROTIXSA-N	405.542	4.544	50	20	HJGD	
CCCc1c(C(=O)NNc2ccc(Br)cc2C)cnn1C1CCCC1	752633825	BORKWWWCNDZXET-UHFFFAOYSA-N	405.340	4.779	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(-c3cccc(Cl)c3Cl)nn2)c1C	754686893	WYVYPLQFFLIKKG-ZROIWOOFSA-N	412.280	4.737	50	20	HJGD	
COc1ccc2oc(C=NNC(=O)c3ccc(Br)cc3Cl)cc2c1	763362894	MVLWWXXXJOSTSH-UHFFFAOYSA-N	407.651	4.621	50	20	HJGD	
C[C@]1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CCCN(C(=O)c2ccccc2)C1	768009014	LFIKZNNZSPKWOS-FQEVSTJZSA-N	424.303	4.518	50	20	HJGD	
CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@H](Br)C(C)(C)C)cc1	768199875	MPVCBJJIJDTGRT-AWEZNQCLSA-N	400.313	4.773	50	20	HJGD	
O=C(NN=Cc1ccc(OC(F)F)c(Br)c1)c1cc2ccccc2o1	768366478	IHZDCRFBDJGCQU-UHFFFAOYSA-N	409.186	4.561	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1nnc(CC(F)(F)F)s1	770073588	NLGUXDBOLYKWJY-UHFFFAOYSA-N	420.631	4.752	50	20	HJGD	
COc1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1OCc1ccncc1	771104330	OJBZRWMXUXLFTE-UHFFFAOYSA-N	416.840	4.610	50	20	HJGD	
CC[C@H](c1ccccc1)c1nnc(NC(=O)NNc2ncc(Cl)cc2Cl)s1	775611171	XKJWNFZHDDVZAI-GFCCVEGCSA-N	423.329	4.930	50	20	HJGD	
O=C(CCCc1ccccc1)NN=Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1	782222494	ZUMNIBGRJUIHFB-UHFFFAOYSA-N	400.404	4.569	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccccc1SCc1ccccc1	783448070	WXHQQURVJUTLPV-UHFFFAOYSA-N	409.486	4.508	50	20	HJGD	
C[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1nc(C(F)(F)F)cs1	786150903	IOYHLWQYMOZGAO-OAHLLOKOSA-N	424.428	4.827	50	20	HJGD	
O=C(NNc1ccccc1F)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1	788788509	IEBWIXLFHZOKIP-UHFFFAOYSA-N	408.220	4.863	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(F)c(F)c2F)cnn1-c1ccccc1Cl	790804247	LISVLAKMNNCVJB-UHFFFAOYSA-N	408.811	4.823	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1occc1CSc1ccccc1	792999351	ZALZFBRHFVFWFS-UHFFFAOYSA-N	417.943	4.857	50	20	HJGD	
CCc1cnc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)o1	793834347	LYKPUDVQLGMWHF-YVLHZVERSA-N	408.889	4.521	50	20	HJGD	
O=C(NN=C1CCC[C@@H]1c1ccccn1)c1cc(-c2ccncc2)nc2ccccc12	794858323	FMQGUPGMCDTXSA-LJQANCHMSA-N	407.477	4.745	50	20	HJGD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NNc2nccnc2C2CCC2)cc1	805474004	SBMOROUGVWKXDS-UHFFFAOYSA-N	415.501	4.982	50	20	HJGD	
Cc1cccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1[N+](=O)[O-]	817015971	ZJEWDVWFOHPDJG-UHFFFAOYSA-N	407.270	4.698	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C2CCN(C(C)C)CC2)c(C)n1C1CCCCC1	904219618	RSBFJGUBMCVMAU-JWGURIENSA-N	410.606	4.848	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(N3CCCCC3=O)c2)c1C	914780217	UDDZGSOFYNHQHO-ZHZULCJRSA-N	404.514	4.578	50	20	HJGD	
O=C(NN=Cc1ccc2ncccc2c1)c1cn(-c2ccccc2)nc1-c1ccccc1	915905313	IQFYFPBOAXOUAG-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1c(F)cccc1Cl	916299016	WFXGGMQFNOSBTP-UHFFFAOYSA-N	412.848	4.587	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)cnc2O)c(C)n1CCC(C)C	916391003	WKNZPJSCXYYNEM-LZYBPNLTSA-N	420.435	4.816	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c1C	917719692	LXBIBABOUYLQIE-BOPFTXTBSA-N	424.932	4.606	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)cc1	934150396	ZMORHCZUOFLJQZ-UHFFFAOYSA-N	408.523	4.708	50	20	HJGD	
COc1ccccc1C1(NCCP(=O)(c2ccccc2)c2ccccc2)CCC1	1116470365	NUWXFYRDAWWLGY-UHFFFAOYSA-N	405.478	4.678	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)c1C	1318941945	QWOIJLGRAASHMA-UWKDKTGGSA-N	417.962	4.737	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC)nc3)CCC2)cc1	1786443745	HAZRIWDZGFRRBC-HXUWFJFHSA-N	413.949	4.799	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)n3cccc3)CCC2)cc1	1786446259	GLQNRIMQAQPYNZ-QFBILLFUSA-N	401.938	4.591	50	20	HJGD	
Cc1cccc2cc(C(=O)NC3(c4ccc(NC(=O)[C@H](F)Cl)cc4)CCC3)[nH]c12	1788584983	NPIAVDBHBSAJNR-IBGZPJMESA-N	413.880	4.758	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)cc1	1790316885	MXDGNOBOHOIJPD-UHFFFAOYSA-N	410.590	4.594	50	20	HJGD	
Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)[C@H](F)Cl)CCC4)cc3)ccc2[nH]1	1790988288	BQZLBHLIWMVWMG-IBGZPJMESA-N	413.880	4.758	50	20	HJGD	
CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCCCCCCCCCCl)CC2	1814217764	LPTDFQOBSKKRPR-INIZCTEOSA-N	414.015	4.825	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)[nH]n1	1815317440	VXWJTVSUAAZDHG-CRLUXQHQSA-N	420.966	4.584	50	20	HJGD	
C[C@@H]1C[C@]1(C)C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCCl)C2	1845087734	DBMRPNXBNFSPDP-KNQAVFIVSA-N	411.030	4.986	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3F)s2)cc1	71850525	ZVQRDSAXROELAL-DTQAZKPQSA-N	419.481	4.802	50	20	HJGD	
Cc1cccc(NNC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)c1	216231822	GTFAIISVCGMUBJ-UHFFFAOYSA-N	411.461	4.738	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)nc2ccccc12	726516656	JEBVHZKZLMPVFD-BKUYFWCQSA-N	415.541	4.626	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ncc(Cc2cccc(F)c2)s1	726875167	OTSDMJJDAACWHG-UHFFFAOYSA-N	412.277	4.723	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2noc3c2CCCC3)c(C)n1-c1ccc(F)cc1	731238018	TUZULQIRFUKJSM-LDADJPATSA-N	419.456	4.750	50	20	HJGD	
O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)NNc1nc(-c2ccncc2)no1	732065355	BYUFMPKAXYMAPD-VURMDHGXSA-N	423.885	4.670	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NNc1c(F)cccc1F	735760470	YGAMDUTVRFYWOZ-NSHDSACASA-N	406.433	4.923	50	20	HJGD	
CC[C@@H](NC(=O)NNc1ccccc1C(F)(F)F)c1nc(C(F)(F)F)cs1	745936043	XRNVRQKJQFMJJF-SECBINFHSA-N	412.359	4.958	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2ccc(F)c(F)c2F)cc1OC	748215926	QAFQXEDIUPDEOK-UHFFFAOYSA-N	402.800	4.702	50	20	HJGD	
O=C(Nc1sccc1C(=O)NNc1ccc(F)cc1F)c1ccccc1Cl	748288254	FFBMJXLRKYJCEM-UHFFFAOYSA-N	407.829	4.689	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(NC(=O)CCCc2cccs2)c1	748562500	RRDZAVAAMQUKOZ-UHFFFAOYSA-N	411.502	4.914	50	20	HJGD	
O=C(CCSc1ccnc2cc(Cl)ccc12)NNc1cc(F)c(F)c(F)c1	748810784	JOYRXORNGFGCNP-UHFFFAOYSA-N	411.836	4.931	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cnc(-c2cccs2)s1	751513268	PFSNFUFNGUVPQT-JYRVWZFOSA-N	411.508	4.783	50	20	HJGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	752621304	ABHSLJSMKBMQAE-AWEZNQCLSA-N	407.440	4.607	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NNc2c(Cl)cc(F)cc2Cl)cc(C(F)(F)F)c1	753853397	SAMBBOPHYBEDSG-UHFFFAOYSA-N	424.181	4.542	50	20	HJGD	
O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)Nc1ccccc1N1CCCC1	755445705	HHYQRIYWMNGYMA-UHFFFAOYSA-N	424.501	4.621	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	758167001	ZDVVQFSZDJQNNB-UHFFFAOYSA-N	406.895	4.682	50	20	HJGD	
N#C/C(=C/c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	759641751	FMVUSVMSIRIDPQ-UVTDQMKNSA-N	420.271	4.515	50	20	HJGD	
CSc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)c(Cl)cc1Cl	760592207	YKWGLRZBRPTQJX-UHFFFAOYSA-N	407.681	4.583	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	760787246	JKNYEEHFZLNWEZ-UHFFFAOYSA-N	405.841	4.731	50	20	HJGD	
COc1ccccc1C(=O)NCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762605900	PCNPYNWQXUSSGJ-UHFFFAOYSA-N	410.364	4.721	50	20	HJGD	
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@H](Br)C(C)(C)C)c1	768068899	BAAGDJWUOHFWLF-AWEZNQCLSA-N	403.748	4.569	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1ccc(-c2ccc3c(c2)OCCO3)s1	770197436	NLAMIUBBWDUKQY-UHFFFAOYSA-N	404.850	4.736	50	20	HJGD	
CN1CCN(c2ccc(/C=C(/C#N)C(=O)c3c(Cl)cccc3Cl)cc2)CC1	771522195	YGQHCILOONEHDA-SSZFMOIBSA-N	400.309	4.535	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2coc(-c3ccc(OCC)cc3)n2)cc1	773118051	CHXAFMSEWTWJJH-UYRXBGFRSA-N	418.449	4.789	50	20	HJGD	
N#Cc1ccccc1Oc1ccc(C(=O)NNc2cnc3ccccc3n2)cc1Cl	774784174	NPSFRIPNJHYFIT-UHFFFAOYSA-N	415.840	4.704	50	20	HJGD	
Cc1nn(-c2ccc(C(=O)NNc3ncc(Cl)cc3Cl)cc2)c(C)c1Cl	775272846	NBJNTQNQWSEKGH-UHFFFAOYSA-N	410.692	4.601	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(OC(F)F)c2cccnc12	775924984	PENOPHPMBNUWAN-UHFFFAOYSA-N	401.398	4.595	50	20	HJGD	
CC(C)n1c([C@@H]2CCCN(C(=O)/C(C#N)=C/c3ccc(O)cc3)C2)nc2ccccc21	776654762	TUCRCBFTBSZVDB-YFQSIASUSA-N	414.509	4.636	50	20	HJGD	
Cn1c(/C(Cl)=C\c2cnn(CCCl)c2)nc2ccc(Br)cc21	776723750	KOQCSYLKTFQKGR-WUXMJOGZSA-N	400.107	4.508	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2c(F)cc(Br)cc2[nH]1	777481964	ONHNEQLDSONLEL-UHFFFAOYSA-N	413.250	4.683	50	20	HJGD	
CC1(CNC(=O)CCCC[C@@H]2CCSS2)CCN(C(=O)OC(C)(C)C)CC1	784755586	UEQBTKWILOPKKG-MRXNPFEDSA-N	416.653	4.854	50	20	HJGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)C(=O)Nc1c(C)cccc1C(C)C	785161854	ZTWLAYWHUOUSLR-UHFFFAOYSA-N	410.905	4.710	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)c(F)c2)cc1	787153850	GJILGCKILUCOJC-BPKVKKHESA-N	422.378	4.560	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(/C#N)c1cnc2ccccc2n1	790227912	OBUWHEJZTQPVHA-WJDWOHSUSA-N	424.298	4.872	50	20	HJGD	
CO[C@H]1CCOc2c(NC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)cccc21	791094821	SXQUFFOIEUTADY-PSXBWXLBSA-N	407.514	4.777	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CCC(F)(F)F)CC(F)(F)F)c1C	791116414	FQMVXMYQPPROKN-OQLLNIDSSA-N	409.374	4.765	50	20	HJGD	
O=C(Cc1csc(Cc2ccc(F)cc2)n1)NNc1cc(Cl)cc(Cl)c1	791727783	STVZKKMHNSLDAJ-UHFFFAOYSA-N	410.301	4.866	50	20	HJGD	
COc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc(OC)c1Br	791733101	PSDQLRAEJRVMFL-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
O=C(NC[C@H]1CCC(F)(F)C1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	797538154	CWRBUXTYFFNVCQ-VIFPVBQESA-N	408.339	4.834	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2-c2ccnn2C)cc1Cl	801647939	SAUMDCSOSZWBJU-LFIBNONCSA-N	406.873	4.603	50	20	HJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3nccnc3C3CCC3)s2)cc1	805472452	DBSWDMRRTXMHKS-UHFFFAOYSA-N	423.542	4.586	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1	812766278	DBPVUBJFOWMOGQ-UHFFFAOYSA-N	419.978	4.829	50	20	HJGD	
COCC1(CCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCC1	815823478	JIHFKOLDEDZMOT-UHFFFAOYSA-N	416.412	4.606	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1csc(-c2cccc(Cl)c2)n1	816485986	JDRKMZJYXQKPGS-UHFFFAOYSA-N	408.314	4.787	50	20	HJGD	
CCOCC(=O)Nc1ccc(Br)cc1CO[Si](C)(C)C(C)(C)C	821634563	MHVXXIHGGPAPGQ-UHFFFAOYSA-N	402.405	4.946	50	20	HJGD	
CC[C@@H](C(=O)NNc1ncnc(Cl)c1C(C)C)c1cccc(C(F)(F)F)c1	857545345	DLWWCBCMMIUCTB-CYBMUJFWSA-N	400.832	4.909	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCC#N)c(C)n1-c1cccc(C(F)(F)F)c1	913253019	VCIBQRYMOHXDIE-GZTJUZNOSA-N	401.388	4.867	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(F)c2)c(C)n1C[C@H]1CCCO1	915735675	NUUREYUUMVJFMF-QJKHOBJASA-N	401.869	4.622	50	20	HJGD	
N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl	915845782	YNBPEXUHFIQRMU-FOWTUZBSSA-N	410.861	4.784	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N(C)[C@@H](C)c2ccccc2)c1C	917233435	UZQAOACVFWWKMM-CKMDTHJYSA-N	421.541	4.575	50	20	HJGD	
CC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)c3ccc4c(c3)OCO4)c2C)c1	917623776	NLHCUNBKTBAAKX-UFFVCSGVSA-N	412.445	4.815	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)N1CCCC1	7749852	VJNQJWFFYNBDNF-XMHGGMMESA-N	408.461	4.815	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(-c3ccc(OC)cc3)no2)c1C	209442283	ZJSMWMKSMBNGBL-NDENLUEZSA-N	419.481	4.829	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cccc(O)c2)c(C)n1-c1ccc(F)cc1	725887606	RRXUYSZVJSWBLV-MOSHPQCFSA-N	403.457	4.504	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccccc1-c1ccccc1C#N	727171343	CGVPSKCHHGUHPJ-UHFFFAOYSA-N	414.534	4.980	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1	728456019	DMDAMDXBGRBOGO-IBGZPJMESA-N	422.447	4.609	50	20	HJGD	
CC(C)Cc1ccc([C@@H](NC(=O)NNC(=O)CC(C)(C)C)c2cccs2)cc1	728741911	UXXXTHLWCNFBSA-HXUWFJFHSA-N	401.576	4.803	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)[C@H](Sc1ccccc1)c1ccccc1	732837302	DWNZUYDPHJKOOX-GOSISDBHSA-N	414.328	4.821	50	20	HJGD	
CSCc1c(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)oc2ccccc12	732978158	HTWBOIPASCEHGW-UHFFFAOYSA-N	414.874	4.756	50	20	HJGD	
C[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)C[C@@H](C)N1C(=O)OC(C)(C)C	733184759	MHHMLTXDIVADPC-OWCLPIDISA-N	402.626	4.557	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NNc3ncccc3Cl)cc12	734245967	YTVCSXAIEMLNBO-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccncc1	741586147	OPHUMBZEUIQOQY-VNSJDZJPSA-N	414.509	4.672	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](O)c2ccccc2F)c(C)n1C1CCCCC1	746710283	DHVFGKIHQUPXBV-FYVGXUMQSA-N	409.505	4.506	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1nc(-c2ccc(Cl)cc2)no1	746770858	DREFSYLKVWLTFN-SECBINFHSA-N	410.236	4.570	50	20	HJGD	
O=C(CCc1ccccc1)NNC(=O)N[C@H](CCCc1ccccc1)c1ccccc1	750329692	ZWVNOXDQNCRUSX-XMMPIXPASA-N	415.537	4.714	50	20	HJGD	
COC(=O)CC1(NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCC1	750586332	MBOHAJQWXYLJMP-ZDUSSCGKSA-N	410.845	4.513	50	20	HJGD	
Cc1cc2oc(=O)cc(COC(=O)/C(C#N)=C/c3ccc(O)cc3)c2cc1C(C)C	750665727	DATXZHPIKMAVDO-RQZCQDPDSA-N	403.434	4.581	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cc(C2CC2)nc2ccc(Cl)cc12	751393866	XEHCBXFWZCYERE-UHFFFAOYSA-N	406.795	4.936	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(Oc2ccccc2Cl)nc1	754469889	IUYAJSVZQSDHOZ-UHFFFAOYSA-N	417.856	4.741	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NNc1ccc(C(F)(F)F)cc1	756013646	ZQFKBMDZUFZTEM-UHFFFAOYSA-N	409.408	4.738	50	20	HJGD	
CCc1cc(NNC(=O)c2cccc(NCC(C)(C)C)c2C)nc(-c2ccccn2)n1	757381551	IEQLNQRXSOKLHG-UHFFFAOYSA-N	418.545	4.624	50	20	HJGD	
CC(C)Cn1ncc(C(=O)NNc2ccc(Br)cc2)c1-c1ccccc1	760460102	NXXRPYNIDNWPBF-UHFFFAOYSA-N	413.319	4.726	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC3(CCCN3C)CC2)c(C)n1C1CCCCC1	761146446	NDNBJCZYWYIRCR-XLNRJJMWSA-N	408.590	4.604	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCCC[C@H]1c1nc2ccccc2o1	761854024	DPENKIPUHYXRJF-SFHVURJKSA-N	404.919	4.525	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H]1CCO[C@]2(CCOC2)C1	762973414	XFKAMIZRACUYPB-SWLSCSKDSA-N	402.385	4.804	50	20	HJGD	
Cc1nc(-c2ccc([C@@H](C)NC(=O)NNc3ncnc4ccsc34)cc2)cs1	765643131	MJVCELYKSYFMLO-LLVKDONJSA-N	410.528	4.511	50	20	HJGD	
N#Cc1ccc(CSc2ccccc2C(=O)NNc2ncnc3ccsc23)cc1	766674302	PKZVEWYVVSJEOY-UHFFFAOYSA-N	417.519	4.612	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(Br)c(C(F)(F)F)c1	769023291	ZHLYMDQQFACEQH-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
CN(C(=O)Cc1ccc(NC(=O)NNc2ccccc2Cl)cc1)c1ccccc1	769972129	ZAKIRKAUKLBZSW-UHFFFAOYSA-N	408.889	4.694	50	20	HJGD	
CC(C)c1nc2ccc(NC(=O)NNc3ccnc(Br)c3)cc2s1	771136264	KRMBVQDSVCSZGN-UHFFFAOYSA-N	406.309	4.726	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1	780802053	CNACMHYDNBPKCB-UHFFFAOYSA-N	404.470	4.856	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ncc(C(C)C)s2)c1C	783490977	WYEPWNHRMQDGHC-RIEVCORGSA-N	401.532	4.543	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(OC)c(OCC(C)C)c2)cc1	787151821	RTDSCGRTFHPNIP-RONKMWSCSA-N	408.498	4.523	50	20	HJGD	
COc1cc(NNC(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)ccc1Cl	788601522	SEWXNEULTVAGKM-UHFFFAOYSA-N	417.922	4.675	50	20	HJGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1	789843955	SQJFQWKIPIRMLE-UHFFFAOYSA-N	404.344	4.509	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC2CC2)cc1OC	797399242	VXCRPKFJZOCZJH-CXUHLZMHSA-N	412.873	4.692	50	20	HJGD	
Cc1cc(Cl)ccc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804209776	BDAGICCJZYNCHG-UHFFFAOYSA-N	406.795	4.881	50	20	HJGD	
O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NNc1nccnc1C1CCC1	805465472	LVHJTQAQAXRXSH-UHFFFAOYSA-N	407.301	4.547	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)NNc1cccc(F)c1	807118469	JWGZYXZACRYYFO-SFHVURJKSA-N	401.482	4.561	50	20	HJGD	
CCc1nocc1CN(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	815080766	IZCMGFGIZZHCBX-UHFFFAOYSA-N	406.398	4.715	50	20	HJGD	
CC[C@@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1	914466697	NTPSBGICJBUWPF-LORYXUCWSA-N	423.520	4.681	50	20	HJGD	
COC(=O)c1cc2cc(NC(=O)NN(Cc3ccccc3)c3ccccc3)ccc2o1	915705826	UUVDSXOAWMPPIB-UHFFFAOYSA-N	415.449	4.963	50	20	HJGD	
COc1cccc(-c2nc(C=NNC(=O)Cc3ccc4ccccc4c3)cs2)c1	915977250	VYECYPIICOPDAE-UHFFFAOYSA-N	401.491	4.665	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1cccc(Cl)c1	916651530	LCXKKFRCABDDMB-IBGZPJMESA-N	414.292	4.727	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCN(c2ccc3ccccc3n2)CC1	918047827	QRCCXEDHPYQMKV-GOSISDBHSA-N	401.601	4.598	50	20	HJGD	
C[C@H](OCCCNC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1	918196874	GCNKWJNVJXVJPF-LBPRGKRZSA-N	416.831	4.548	50	20	HJGD	
C[C@H]1CN(Cc2ccccc2NC(=O)CCCC[C@@H]2CCSS2)C[C@@H](C)O1	918613981	XHWJRMRJZBAUDY-ZIFCJYIRSA-N	408.633	4.948	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cc2[nH]ccc2s1	1789104874	ZWRMDUSPHVSKTQ-UHFFFAOYSA-N	422.337	4.781	50	20	HJGD	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)c1	1792123852	RIZZLTGUKRXTIG-KUHUBIRLSA-N	413.880	4.596	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1	1824611590	MSYZDDAACZXIRH-WOJBJXKFSA-N	408.970	4.537	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2C)CC1	1830309846	MFLHBYFJHGUWFB-LEWJYISDSA-N	404.982	4.554	50	20	HJGD	
Cc1nc(C(=O)N2CCCC23CN(C(=O)CCCCCCCCCCCl)C3)co1	1842456061	CZTFSZFAODRNDO-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
Cc1ccc(-c2nnc(S[C@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)o2)cc1C	7736268	LCRRAMUYTDXTIT-CQSZACIVSA-N	417.494	4.676	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1C	24690746	RXSJDYVBVIYXAY-UPAIAECRSA-N	415.921	4.828	50	20	HJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)N(C)c3ccccc3)c2)cc1	732716663	XJHOAVPYLZTHKK-HKWRFOASSA-N	411.461	4.517	50	20	HJGD	
O=C(CSc1ccc(F)c(F)c1)NNc1ccc(Br)cc1Cl	733807761	FBPRNVLQPZGNFK-UHFFFAOYSA-N	407.667	4.616	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	733810791	BBNHANLZERLERJ-NRFANRHFSA-N	422.460	4.885	50	20	HJGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1ccc(Cl)s1	734068744	IEZNOFJBEMYLIS-INIZCTEOSA-N	401.919	4.579	50	20	HJGD	
COc1cc(F)c([C@H](C)NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1OC	734069003	IGAKUPLXRABUDE-KRWDZBQOSA-N	423.488	4.825	50	20	HJGD	
CCC(CSc1ccc(Cl)cc1)=NNC(=O)c1nnc(-c2ccccc2)o1	734295417	AWNWNJKIVGWQNQ-UHFFFAOYSA-N	400.891	4.678	50	20	HJGD	
Cc1ccc(SCCC(=O)NNc2c(F)cc(F)cc2Br)cc1	741980356	HIHZDIBPQARCLK-UHFFFAOYSA-N	401.276	4.661	50	20	HJGD	
CCCCCOc1ccc([C@@H](C)NC(=O)NNc2ccc(Cl)nc2)cc1OC	745511435	CJAIDDGXKDSSIY-CQSZACIVSA-N	406.914	4.700	50	20	HJGD	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NNc1cc(Cl)ccc1Cl	752813596	YFMYLDDEDFYOBL-UHFFFAOYSA-N	410.282	4.966	50	20	HJGD	
O=C(CCc1nc(-c2ncccn2)no1)Nc1ccc(S(F)(F)(F)(F)F)cc1	753626728	WIKRPJNAVYSKBK-UHFFFAOYSA-N	421.351	4.755	50	20	HJGD	
Cc1ccc(Cn2cccc(NC(=O)CCCC[C@H]3CCSS3)c2=O)cc1	754175039	WIZRIBYRNASIQF-SFHVURJKSA-N	402.585	4.858	50	20	HJGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1sc(N2CCCC2)nc1Cl	757421132	DSQUQDMJKOHEAM-UHFFFAOYSA-N	403.847	4.677	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c1	760137767	RSTXVSOTXRMWPB-UHFFFAOYSA-N	400.457	4.803	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c1C	760833257	LJDCAUPHYOUOET-RHTHQAGFSA-N	417.513	4.739	50	20	HJGD	
Cc1ccc(Br)c(C(=O)NNC(=S)Nc2ccccc2C(C)C)c1	764322695	UXAYHFAPAXPTNT-UHFFFAOYSA-N	406.349	4.512	50	20	HJGD	
CCC(=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)C1CC1	764761976	IXYFFBVQLQVSKU-UHFFFAOYSA-N	406.602	4.523	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1cc(F)cc(Cl)c1	766260072	OAAKQLFJQLKXJO-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
C[C@@]1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CCCN(C(=O)c2ccccc2)C1	768009019	LFIKZNNZSPKWOS-HXUWFJFHSA-N	424.303	4.518	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	768291611	AJUJRIOPKJBEEH-KOLCDFICSA-N	413.303	4.678	50	20	HJGD	
CS[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773332995	IRARWCRAIVUVPD-QWRGUYRKSA-N	404.426	4.683	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	777463496	HPWHAZOBXZJUTD-UHFFFAOYSA-N	413.437	4.512	50	20	HJGD	
COc1cc(C(=O)NNc2cc(Cl)ccn2)ccc1OCc1ccc(Cl)cc1	778447521	VLJOKHXFEQUOEL-UHFFFAOYSA-N	418.280	4.733	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](CO)c2cccc(F)c2)c(C)n1C1CCCCC1	778512409	UNGOGBLFNZSIJD-AGIMELGASA-N	409.505	4.506	50	20	HJGD	
Cc1ccc(OCc2cccc(C(=O)NNc3ccccc3OC(F)(F)F)c2)cn1	779207270	NPENHVQMCHVDJT-UHFFFAOYSA-N	417.387	4.625	50	20	HJGD	
O=C(Nc1cccc2ccsc12)C(=O)NN(Cc1ccccc1)c1ccccc1	782825257	SBWFVWJAXFXTMZ-UHFFFAOYSA-N	401.491	4.578	50	20	HJGD	
O=S(=O)(N[C@@H](CCO)c1cccs1)c1ccc(S(F)(F)(F)(F)F)cc1	782981035	NIOFSCPJTMMHKM-LBPRGKRZSA-N	423.450	4.808	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1	783369009	GPSHOZKFVUUKQM-UHFFFAOYSA-N	416.506	4.662	50	20	HJGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c(Br)c1	789158063	APIVUNCIZIWXDG-MFOYZWKCSA-N	421.250	4.574	50	20	HJGD	
C[C@]1(C(=O)O)CCCC[C@H]1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790620532	QWOHFEGKFJXJSK-OCCSQVGLSA-N	423.425	4.656	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1	799754539	LGQIRSWOCRGKRF-UHFFFAOYSA-N	409.511	4.637	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccsc1	805459622	WCXNRWNPFAVHEA-LLVKDONJSA-N	407.421	4.611	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccnc2cc(Cl)ccc12	806358882	XWFMAIHKALOEGZ-UHFFFAOYSA-N	407.857	4.831	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1	812533851	WSEKCFKQWHAFNC-JTQLQIEISA-N	403.198	4.595	50	20	HJGD	
COc1ccc(NNC(=O)Cc2csc(-c3cccs3)n2)c(C(F)(F)F)c1	816703073	NNUMPNNMRSRUOF-UHFFFAOYSA-N	413.446	4.585	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(Cl)ccc1F	817016668	GKWIAOGIPQKZNX-UHFFFAOYSA-N	401.669	4.669	50	20	HJGD	
CCn1c(SCC(=O)NNc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1	912718148	GJHVDHXSIDTQSD-UHFFFAOYSA-N	422.341	4.507	50	20	HJGD	
O=C(COc1ccc(Cl)cc1)NN=Cc1sc(Oc2ccccc2)nc1Cl	915943496	CTBUGRZIPZSDNA-UHFFFAOYSA-N	422.293	4.771	50	20	HJGD	
COc1ccccc1Nc1nc(Cl)c(C=NNC(=O)c2ccccc2C)s1	916542927	CECXMWLCGRFURB-UHFFFAOYSA-N	400.891	4.621	50	20	HJGD	
Cc1c([C@H](C)NC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)oc2ccccc12	918084801	LRNKCLREKKQWCI-KRWDZBQOSA-N	423.513	4.871	50	20	HJGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)CSc2ccc(Cl)cc2)oc2ccccc12	918085136	RYCSYDDWSQSXIZ-CYBMUJFWSA-N	417.918	4.578	50	20	HJGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	921151448	ZDOJXLAUOURDJF-MQIPJXDCSA-N	411.873	4.819	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc([C@H]3COc4ccccc4O3)o2)c(C)n1CC(C)C	1345498145	XQEKODOUKQOKIM-VGPFOZRTSA-N	404.470	4.721	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3ccc4c(c3)OCO4)o2)c(C)n1CCC(C)C	1345701691	INLYGYISCHYFED-VXLYETTFSA-N	404.470	4.994	50	20	HJGD	
Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)c(C)o1	1787342606	WPDKTINDTJMFES-UHFFFAOYSA-N	402.922	4.909	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1	1787616237	SEJSIYCXRREUQW-GOSISDBHSA-N	421.379	4.874	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)C(C)C)C2)CC1	1805624028	YGXMKUFVNSXHGS-NHCUHLMSSA-N	419.009	4.675	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1	1817135083	XKXQONXHBSWBKZ-LRDDRELGSA-N	417.978	4.586	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)Nc1ccc(C(=O)O)cc1	11293676	MKQPCPQKCACQBF-SDNWHVSQSA-N	419.418	4.567	50	20	HJGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	17706708	ZWFPMKQSDSBTFF-DOMZBBRYSA-N	423.516	4.963	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cs1	195690958	RMOPIWRWLGUXDR-GDNBJRDFSA-N	408.414	4.939	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)c1ccccc1F	212679127	YCHQFKHJDNKNEF-MOSHPQCFSA-N	408.436	4.922	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)CCCc1ccccc1)c1cc(F)c(Cl)cc1Cl	727843159	DMCZBIVFQCVVDL-LBPRGKRZSA-N	412.292	4.547	50	20	HJGD	
CCn1cc(C=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cn1	732527315	SQGAVBCGCNCUIP-UHFFFAOYSA-N	403.873	4.536	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2ncccc2Cl)c(-c2ccccc2Cl)n1	734247576	QZJCCPYQZZTHIU-UHFFFAOYSA-N	404.301	4.764	50	20	HJGD	
O=C(NN=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2ccc(F)cc2)s1	743430359	JWNKWWLNRLVRIM-UHFFFAOYSA-N	418.453	4.900	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)c(Cl)c1	743551355	BKKCFBKCEQISOI-MRXNPFEDSA-N	404.898	4.599	50	20	HJGD	
C[C@@H]1C[C@H]1[C@H](NC(=O)NNC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1	743630691	ZNFYXDNPBLPWBA-XMDBHEJHSA-N	407.901	4.835	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2coc(-c3ccc(C)cc3)n2)c1C	744737879	QFWPOTMLNOKONQ-MTJSOVHGSA-N	402.498	4.702	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1C	744858744	BSVBKGGGUSVURY-OVCLIPMQSA-N	421.419	4.579	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1	746059330	RMEJOVATTKCGHI-YYTPVVGHSA-N	409.829	4.610	50	20	HJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3ccccc3Br)c12	748059368	NIIBBOIMRWLKJR-UHFFFAOYSA-N	415.291	4.743	50	20	HJGD	
Cc1c(NC(=O)CCCC[C@@H]2CCSS2)cccc1C(=O)N1CCSCC1	748773719	IBAYCWJVGJDGDV-MRXNPFEDSA-N	424.657	4.837	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1	748786029	XBCSMSYDPPREJD-UHFFFAOYSA-N	408.458	4.573	50	20	HJGD	
O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)NNc1ccccc1Cl	749183569	MDPIVEYINRXHOH-UHFFFAOYSA-N	412.852	4.558	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3ncco3)c2)c1C	754218827	UVJYAYGSRODHOC-MBTVCVBTSA-N	404.470	4.513	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cn(-c4cccc(Cl)c4Cl)nn3)n2)cc1	754684541	ICARHGAQYHYNSO-NTEUORMPSA-N	423.263	4.997	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccccc1SCc1cccs1	755198089	KFPVWSBSHOHPOL-UHFFFAOYSA-N	410.446	4.606	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H](Sc1ccccc1F)c1ccccc1	755198880	ZXNLNLCJXDOSSQ-KRWDZBQOSA-N	422.407	4.611	50	20	HJGD	
Cc1nc(CC(C)C)c(C(=O)NNc2ccc(Br)cc2Cl)s1	755775385	AAPSLTRIRJDUKN-UHFFFAOYSA-N	402.745	4.823	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cncc(-c2ccc(Cl)cc2)c1	758245963	WICUIYZQYHMTMZ-UHFFFAOYSA-N	402.679	4.921	50	20	HJGD	
O=C(NNc1ccc(F)cc1)c1cc(Oc2cccc(Br)c2)ccn1	761864354	IHDZTYRURMENOT-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCCC(Cl)(Cl)Cl)c1C	767410093	BEQVORZBJWXCCS-AAWHYMEISA-N	407.725	4.523	50	20	HJGD	
C[C@H]1CCC[C@@H]1CC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	769315846	SHFFVSVYYSCYEF-WDEREUQCSA-N	407.426	4.975	50	20	HJGD	
COc1ccccc1OCC(=O)NN=Cc1c(Cl)cccc1Oc1ccccc1	769568018	WNNBQEZUPZERGK-UHFFFAOYSA-N	410.857	4.670	50	20	HJGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNc1ccc(Br)c(F)c1	771682544	NRFQQQVVFBVVHV-UHFFFAOYSA-N	420.307	4.701	50	20	HJGD	
C[C@@H](COc1ccccc1)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772947902	WTHYVVFLWOTPOG-LBPRGKRZSA-N	424.391	4.866	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc(-c2ccc(F)cc2)c(C)s1	773625714	KHMFHQUPNNYXJP-UHFFFAOYSA-N	402.422	4.545	50	20	HJGD	
C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NNc1ncc(Cl)cc1Cl	775275243	DTRIZRQYBYNGPS-LBPRGKRZSA-N	417.296	4.690	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3nc(C)sc3-c3ccccc3)c(C)cc2c1	778969339	JYFYMGZATYRWFB-UHFFFAOYSA-N	404.495	4.741	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(Br)ccc1Cl	779200570	BIOWEVHKYOASBL-UHFFFAOYSA-N	409.589	4.758	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1ccc(Oc2ccc(Br)cc2)c(F)c1	781362026	MNLQMSNTSZIMEH-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
N#C/C(=C/c1cccn1Cc1ccccc1C#N)C(=O)Nc1cccc(C(F)(F)F)c1	782196973	DNAQGAKRCKVXTC-WQRHYEAKSA-N	420.394	4.973	50	20	HJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	782522166	ACTQUGJUCNYPRG-UUVGHFPGSA-N	403.360	4.552	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ncc(-c2cccc(Br)c2)o1	785360948	DUAPHFXDHRBDTR-CXUHLZMHSA-N	409.239	4.754	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cc2ccccc2)c1C	789978469	SAMZEPOFANUYQV-ULJHMMPZSA-N	413.521	4.888	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)ccc1Cl	790177762	LYCXZUWURLJEME-UHFFFAOYSA-N	405.882	4.761	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1C	791008092	RUDCRISRYOUGDK-LICLKQGHSA-N	413.905	4.875	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@H](S(C)(=O)=O)CC2)cc1	792880241	BUPAUVHKCUMIOH-FQEVSTJZSA-N	411.684	4.608	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1nc2c(Br)cccc2s1	806741024	FPZKBLQUQSTXQB-UHFFFAOYSA-N	420.317	4.817	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@H](C)c2cccc(CC(C)C)c2)c1C	806864284	JMNCQFYKHHQBSN-QGZVFWFLSA-N	403.530	4.601	50	20	HJGD	
CC1(C)CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@H]1[C@H]1CCCO1	809853818	NTXLAMZZUTZWNY-KGLIPLIRSA-N	421.453	4.922	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2cc(Br)sc2[nH]1	816916978	WMZRNZHLLAIUET-UHFFFAOYSA-N	404.211	4.768	50	20	HJGD	
O=C(NN=Cc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(F)cc2)nc2ccccc12	915922768	CWXHOVMDARERCM-UHFFFAOYSA-N	414.396	4.713	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC(=O)Cc1ccc2ccccc2c1	915971788	APEQQDFXYWSTBU-UHFFFAOYSA-N	418.447	4.613	50	20	HJGD	
Cc1ccc(CSc2nnc(SCC(=O)NN=CC3CCCCC3)s2)cc1	916664054	YYKOWZXAIROEHC-UHFFFAOYSA-N	420.629	4.913	50	20	HJGD	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NNc2ccccc2[N+](=O)[O-])cc1	918186739	JGVJRDBRYLYNGX-UHFFFAOYSA-N	424.482	4.789	50	20	HJGD	
N#C/C(=C\c1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)Nc1ccc(F)cc1	920064975	AMRRLFQFWIIMGF-ZRDIBKRKSA-N	401.228	4.864	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(OC(C)(C)C)cc2)c1C	920474463	DVMFTIVCIQTFJX-MNOULKQQSA-N	423.557	4.713	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc(COc3ccc(C#N)cc3)o2)c(C)n1CC(C)C	1331862641	YRLXEVWFEFPPCM-KEBDBYFISA-N	401.470	4.659	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1	1786443865	KNJWJOVBORDAOQ-SFHVURJKSA-N	415.921	4.707	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3cccs3)cc2)CCC1	1788228627	AOZYHAPYMYCUIY-SFHVURJKSA-N	404.963	4.832	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788582998	ZGDKXEKDFNRINR-GOSISDBHSA-N	409.288	4.551	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C)CCCCC2)[nH]n1	1814699666	WBBHHVQLKZIMNF-MRXNPFEDSA-N	408.974	4.637	50	20	HJGD	
Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)CCl)n[nH]2)c1	1814700500	UOTGQWJFXDBTMU-GOSISDBHSA-N	416.953	4.597	50	20	HJGD	
C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](Cl)CCC)[nH]n1	1814824512	WGURODBOBOILKS-FUHWJXTLSA-N	406.958	4.578	50	20	HJGD	
O=C([C@H]1C[C@@H]1C1CC1)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124253	UEIAEPHIOUEGPG-RTWAWAEBSA-N	423.041	4.986	50	20	HJGD	
CC(C)[C@@H](SCc1ccccc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727791525	LBNFJSFWKAERQD-QGZVFWFLSA-N	411.354	4.712	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1cccc(C)c1	728785528	GBRIUEVRKIAPEN-SXGWCWSVSA-N	406.873	4.901	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c(Cl)c1OC	730433723	IMOGHUDKLWIXPL-XYOKQWHBSA-N	405.907	4.657	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C)c1ccccc1	732241592	AZDMNNXEQNRZRQ-VQIMIIECSA-N	422.554	4.704	50	20	HJGD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NNc1ccc(OC(F)F)cc1	732476043	WYHFUPJDMPBTHB-NSHDSACASA-N	403.351	4.564	50	20	HJGD	
Cc1cc(Br)oc1C(=O)NNc1ccc(Br)cc1Cl	733807390	DHGWCFWNKPKLCC-UHFFFAOYSA-N	408.477	4.523	50	20	HJGD	
C[C@@H](CC(=O)NNC(=O)Cc1cccc2ccccc12)c1cccc(C(F)(F)F)c1	737487594	MEMCVEUJMZETFY-HNNXBMFYSA-N	414.427	4.742	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c(SC)cc1OC	741165332	KSYLNBXIXJWOIE-ZSOIEALJSA-N	402.903	4.933	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1Br)C(=O)N(CC(F)(F)F)C1CC1	742434373	HRBSGZGDURYEAN-YHYXMXQVSA-N	407.617	4.563	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)[C@H]1SCCc2sccc21	743335620	WFRMHUZBIKKRHB-ZDUSSCGKSA-N	403.754	4.638	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C2CC(c3ccccc3C)C2)c2ccccc2c1=O	743427782	ZQBFVCDFTZHANJ-UHFFFAOYSA-N	416.525	4.559	50	20	HJGD	
CN(Cc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc2ccccc12	743628010	KZCMLXIWTKOOPZ-UHFFFAOYSA-N	402.281	4.633	50	20	HJGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)Nc1ccc(-c2ccccc2)cc1	743827230	VCHOHCHRDFKOAL-MOPGFXCFSA-N	407.420	4.588	50	20	HJGD	
CC[C@@H](NC(=O)NNC(=O)Nc1ccc(C)cc1Cl)c1ccc(Cl)s1	745820204	MXNGDGJHXDVUCG-LLVKDONJSA-N	401.319	4.850	50	20	HJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1	750044492	YCNVNLMHPFRIOC-RAEBXZQASA-N	404.253	4.840	50	20	HJGD	
O=C(Cc1csc(-c2cccc(F)c2)n1)NNc1cc(C(F)(F)F)ccc1F	754144194	VRBXUBIXEJNLQX-UHFFFAOYSA-N	413.371	4.793	50	20	HJGD	
C[C@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccc(Br)s1	754152306	HGUWQOOJLKWJPF-ZETCQYMHSA-N	411.218	4.915	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3cccc(Cl)c3Cl)nn2)c(C)c1	754683481	BWBLBWOLVWLLRH-NTEUORMPSA-N	412.280	4.737	50	20	HJGD	
Cc1cc(Sc2ccccc2)ccc1NC(=O)NNC(=O)c1ccc(Cl)nc1	756212336	ODQWHDKYPSXFQH-UHFFFAOYSA-N	412.902	4.661	50	20	HJGD	
COCCOc1ccc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	769845332	CYXOSTPAYPPZRN-NNLSSIJJSA-N	412.536	4.714	50	20	HJGD	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2nc3ccccc3s2)c1	770087700	NGAWDUISPOWHKT-UHFFFAOYSA-N	403.895	4.837	50	20	HJGD	
CC(C)(C)Cc1nc(-c2ccc(C(=O)NNc3c(F)cccc3Cl)cc2)no1	770196802	KXAMZMSTEATTHE-UHFFFAOYSA-N	402.857	4.875	50	20	HJGD	
C[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1OC(F)F	774880366	XVQVVINGWVOTKP-SFHVURJKSA-N	415.420	4.953	50	20	HJGD	
O=S(=O)(N[C@H]1CCOC2(CCC2)C1)c1cccc(S(F)(F)(F)(F)F)c1	778002229	IOXUXPIQECZUDL-NSHDSACASA-N	407.426	4.724	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	778393004	WVRGZWUXAAYCMF-UHFFFAOYSA-N	424.816	4.715	50	20	HJGD	
Cc1ccc(Sc2ccc(NC(=O)NNC(=O)c3cccc(C)n3)cc2)c(C)c1	797608836	NIMFZGXFKFXBDJ-UHFFFAOYSA-N	406.511	4.625	50	20	HJGD	
COc1ccc(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c(O)c1	797611785	ALUFLKJPMCXQFY-HNNXBMFYSA-N	420.840	4.942	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1ccc(Cl)cc1	801503610	KOZJHYDYKHWYBF-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)c(OC)cc2Cl)c1C	809203738	GUCQEOHCCFZIJX-FNMPFJKNSA-N	415.921	4.828	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1cc(O)ccc1Cl	810446960	HXDNBSXOFJTVIS-UHFFFAOYSA-N	410.482	4.872	50	20	HJGD	
CCCN(CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	810496767	YPAWIQHEEYTWCH-LBPRGKRZSA-N	417.444	4.519	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccc(OC(F)(F)F)cc3)cc2)n1	810536170	NICJYTZEVXSFFW-UHFFFAOYSA-N	408.405	4.851	50	20	HJGD	
CCC1(C(=O)NNc2c(C)cccc2C(C)C)CCN(C(=O)c2ccccc2)CC1	812766234	BZINENUSEPQZCC-UHFFFAOYSA-N	407.558	4.894	50	20	HJGD	
Cc1csc(CCCC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	817014561	NZMSDHPMOKEJIF-UHFFFAOYSA-N	411.371	4.955	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)n1	904159446	ZBWPEMMBTGKZRE-UHFFFAOYSA-N	409.559	4.730	50	20	HJGD	
CCNc1nc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)nc2ccccc12	913606446	PLXSVRAOYCBAEH-ZHZULCJRSA-N	419.535	4.676	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](c2ccsc2)N(C)C)c(C)n1C1CCCCC1	914505763	HBYKVPLSIHFZQY-QCHPHUCNSA-N	424.614	4.998	50	20	HJGD	
CCCCCNC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	915879149	ZFPYEUDSKXBTAC-UHFFFAOYSA-N	405.498	4.553	50	20	HJGD	
N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1nc(-c2ccncc2)cs1	916132812	RFUSDQHOMMXARS-ZSOIEALJSA-N	411.284	4.513	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)c3cccc(Cl)c3)c2Cl)cc1	916278566	UQESAAMBSFKIGC-UHFFFAOYSA-N	401.297	4.619	50	20	HJGD	
CCC(=O)Nc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	916427241	LATQWIKZLZNIFA-HMAPJEAMSA-N	420.557	4.723	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	918223045	GMVUVSLOPCPLQG-UHFFFAOYSA-N	406.313	4.603	50	20	HJGD	
Cc1nn(C)c(C)c1CCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	1317791418	XYECYTXQIVNOPJ-INIZCTEOSA-N	405.873	4.828	50	20	HJGD	
CC(=O)N1Cc2ccc(NC(=O)/C(C#N)=C/c3cc(C)n(CCC(C)C)c3C)cc2C1	1318971211	CYNAKUPVNFZWFQ-SSDVNMTOSA-N	418.541	4.559	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1	1325811474	VVRZTJNPCJABLX-NBVRZTHBSA-N	424.501	4.647	50	20	HJGD	
Cc1ccsc1C(=O)Nc1ccc(C2(NC(=O)CO[Si](C)(C)C)CCC2)cc1	1787277973	BORHAKLQJPVBHV-UHFFFAOYSA-N	416.619	4.656	50	20	HJGD	
C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1)c1cccs1	1814700253	GSLVPDHPGJSRQL-ZFWWWQNUSA-N	422.982	4.532	50	20	HJGD	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](Cl)CCC)n[nH]1	1815319434	JNXDPTXVHLLRSN-JFIYKMOQSA-N	406.958	4.578	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820906700	LLIWKTIHVCXUFT-BJICUUOASA-N	406.958	4.556	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1	1824609196	JLSGBLNHSKVCPD-ACRUOGEOSA-N	422.972	4.724	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2nc3ccccc3s2)c1C	5365076	QAYWXARJMRUFJL-BFERYNQYSA-N	409.511	4.572	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)Cc1cccc2ccccc12	9894723	VCTLVMKOGSVHIM-UHFFFAOYSA-N	416.452	4.562	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NN(c2ccccc2)c2ccccc2)c1C	302888375	KWASMRUDIJJPBQ-XLNRJJMWSA-N	414.509	4.528	50	20	HJGD	
CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)S(=O)(=O)c1ccc(CCCCl)cc1	726975112	VQIJXHIATLZXBZ-RBBKRZOGSA-N	421.990	4.646	50	20	HJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)c(F)c2)cc1	727263945	KNARVRXPIBZSBQ-TYSUYXETSA-N	407.489	4.721	50	20	HJGD	
C[C@H](c1ccccc1)N1CCC(NC(=O)NNc2ccc(Cl)cc2Cl)CC1	734947254	SSXNZEJKQTUDOQ-CQSZACIVSA-N	407.345	4.845	50	20	HJGD	
CN(C(=O)CCCC[C@H]1CCSS1)[C@H](c1cccc(F)c1)c1cnn(C)c1	737829882	DKVFIADZUDXVFY-AZUAARDMSA-N	407.580	4.821	50	20	HJGD	
Cc1nc(C)c(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)s1	742088913	SJVHXJJMBGBRKZ-VCHYOVAHSA-N	408.502	4.530	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)/C=C/c2cnc(C(C)(C)C)s2)cc1	743821945	YZOSAAZXESTXKE-OUKQBFOZSA-N	416.616	4.814	50	20	HJGD	
COc1ccccc1OCc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)o1	748017796	SWBRCXPHVRHUIO-UHFFFAOYSA-N	407.253	4.931	50	20	HJGD	
O=C(NNc1ccccc1F)c1cc(Oc2cccc(Br)c2)ccn1	748059163	RPGNRPPVFNAQQL-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NNc1cccc(F)c1	748091294	ODYNSUNCCCNMMS-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1cc(C)c(Cl)cc1OC	748583966	KHKLNFULSASQOL-ZSOIEALJSA-N	415.833	4.510	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1ccc(Sc2ccccc2Cl)nn1	748764158	WSTVPODMHCELKS-UHFFFAOYSA-N	407.886	4.586	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)c2ccccn2)c1C	751107895	OLOFCGKFKDMKTM-PDGQHHTCSA-N	404.436	4.803	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)Nc1cc(-c2nnco2)ccc1C	752619298	RELSOLXABQXYFJ-UHFFFAOYSA-N	416.279	4.519	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1ccc(Br)cc1SC	755891825	HLMANUCUNQIONK-UHFFFAOYSA-N	413.724	4.597	50	20	HJGD	
Cc1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)ncn1	757230261	PQFRQBRPKWGMDU-XKZIYDEJSA-N	421.504	4.569	50	20	HJGD	
O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccoc1	760913324	QVDVCHLTTZKDCD-UHFFFAOYSA-N	416.355	4.523	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C1CCN(c2cnccn2)CC1	762529205	SCOVVRBCJBPDFE-UHFFFAOYSA-N	408.396	4.989	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1	763077713	GLHSYEPAWXOVMX-XNTDXEJSSA-N	423.469	4.902	50	20	HJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1ncnc2ccsc12	766671147	FPSPDOJZSUVLNF-UHFFFAOYSA-N	406.467	4.639	50	20	HJGD	
Cc1oc2ccccc2c1CNC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	767215124	VNOQANUKMCSJGQ-OCBOALCKSA-N	417.509	4.562	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F	768903968	QCMKFDOQVNSIDN-DOTOQJQBSA-N	413.871	4.824	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)/C(=C/c1ccc(F)cc1)c1cccs1	771551875	HDCUENMAMNKQBX-XNTDXEJSSA-N	418.291	4.729	50	20	HJGD	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1OC	772174616	CCSAOLZBQWUHJB-PQMHYQBVSA-N	422.225	4.924	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@H]1CCOC2(CCC2)C1	773417493	KYEUFQXPOMDKKP-LBPRGKRZSA-N	414.396	4.500	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c(C)n1CCC(C)C	778219148	WMOWPYSHADYVDA-VXLYETTFSA-N	422.504	4.721	50	20	HJGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	780153330	NGRRTNOIMOYRQO-APSNUPSMSA-N	404.832	4.995	50	20	HJGD	
COc1ccc2[nH]cc(C3CCN(C(=O)[C@@H](Br)C(C)(C)C)CC3)c2c1	781081230	XVKUYEWCNNJZKR-GOSISDBHSA-N	407.352	4.692	50	20	HJGD	
CC[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CCOCC1	782979653	JAPBDEWXOSSTHQ-CQSZACIVSA-N	409.442	4.828	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNc2ccc(OC(F)F)cc2)c(C)c1	784312000	HNRIVVUHXWPTRW-ZDUSSCGKSA-N	423.485	4.569	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1OC	787144638	KIALRRINWIVLGC-CJAAZZPWSA-N	405.281	4.795	50	20	HJGD	
COC(=O)c1nc([C@H]2CCCN2C(=O)CCCC[C@H]2CCSS2)sc1C	792556553	NWJHFLHXIMYYAK-UONOGXRCSA-N	414.618	4.616	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ncccc2F)cc1C	804214995	YADDQBXYRUJFMC-UHFFFAOYSA-N	415.472	4.506	50	20	HJGD	
O=C(NNc1ncncc1F)c1oc2ccccc2c1CSc1ccccc1F	817066878	BABLQSAOUOZPDY-UHFFFAOYSA-N	412.421	4.550	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1	817882250	FZYWTFVXKSJPQU-UHFFFAOYSA-N	424.501	4.749	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCCc3scnc3C)c2C)cc1	912720011	AQIWHCYTWXQRAI-XDHOZWIPSA-N	421.522	4.561	50	20	HJGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1sc(Oc2ccccc2)nc1Cl	915952855	AXOUFTUQSGSWFK-GFCCVEGCSA-N	419.865	4.646	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)[C@@H](C)c1ccc(F)cc1	916488102	RPWRTWKWYJFGMC-XUWMWVKWSA-N	423.532	4.940	50	20	HJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccccc1Cl	1321737083	USXOHDCVTPRVJY-UHFFFAOYSA-N	400.887	4.542	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccn(-c2ccccc2C(F)(F)F)n1	1323828857	DVNSOCSQBAVUTA-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2Cl)c1C	1341244278	QFLYTHQEQGECGJ-YBEGLDIGSA-N	406.313	4.912	50	20	HJGD	
C[C@@](Cl)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccsc3)cc2)CCC1	1787287421	XWQBWLYSPMPTFW-GOSISDBHSA-N	411.354	4.732	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1nc2ccccc2[nH]1	6210645	YDZHYJOIIUAVOF-DEDYPNTBSA-N	402.461	4.934	50	20	HJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	16407975	MCCOPYHKHDYUMJ-GHRIWEEISA-N	400.438	4.970	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cccc2ncccc12	730227600	HKDNNLXLZDSJNQ-JOCHJYFZSA-N	413.502	4.529	50	20	HJGD	
N#C/C(=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1nc(-c2ccccc2)no1	732713698	FRIXZDITFDMZAA-XNTDXEJSSA-N	418.254	4.953	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1csc(COc2ccc(Cl)cc2)n1)c1ccccc1	732716550	UZKDILRAAOKRLX-PTNGSMBKSA-N	409.898	4.945	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c1C	737609385	NXOCCBKCWSODCT-GUJMRNQHSA-N	419.569	4.932	50	20	HJGD	
N#C/C(=C/c1nccc2ccccc12)c1nc(O)c2cc(Br)ccc2n1	740872234	KABMWZZDEIURIF-LCYFTJDESA-N	403.239	4.710	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1cccc2ccccc12	741576909	SVZYHBJDZNDALI-UHFFFAOYSA-N	405.841	4.531	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(Br)cc2)cc1NC(=O)OC(C)(C)C	743299671	RHUNLZBTCGMPLT-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1	744569783	IXNAFXDBWMNZPL-JQFNYASXSA-N	421.428	4.794	50	20	HJGD	
N#Cc1ccc(NNC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1	748116734	FVVJATFZXWEWCP-UHFFFAOYSA-N	403.294	4.674	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(OC(C)C)cc2)c1C	749278598	UAORVIMLMNTZNU-FYJGNVAPSA-N	408.498	4.635	50	20	HJGD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NNc2cc(Cl)ccc2Cl)cc1	752813553	WKZHCCFBYQZWSI-LBPRGKRZSA-N	412.342	4.505	50	20	HJGD	
C=CCOc1ccc(/C=C/C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1OC	754143619	PTJVONVYSDPBNS-WEVVVXLNSA-N	410.367	4.574	50	20	HJGD	
Cc1cc(F)c(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1F	758151376	HEDHGBFTYGHHJA-UHFFFAOYSA-N	423.794	4.577	50	20	HJGD	
CC(C)c1nc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c2ccccn12	762602425	GGDORPNWUAZJFS-KAMYIIQDSA-N	409.287	4.766	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2OC(F)F)cc1	776726409	XIIPUXHUHHBAGJ-FMIVXFBMSA-N	423.213	4.605	50	20	HJGD	
O=C(NNc1ccccn1)c1cc(-c2ccc(Br)cc2)nc2ccccc12	777475235	TVMSAUHAJQYKFZ-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1	777478586	GGYIGNLXZSJDPT-UHFFFAOYSA-N	420.476	4.548	50	20	HJGD	
O=S(=O)(Nc1cnn(CC(F)F)c1)c1cccc(S(F)(F)(F)(F)F)c1	777629444	CFDUFZCTHWPYKV-UHFFFAOYSA-N	413.340	4.606	50	20	HJGD	
N#C/C(=C\c1cccc(Br)n1)c1ccc([N+](=O)[O-])cc1Br	777920553	OUXGSBUZFUOGJH-RMKNXTFCSA-N	409.037	4.579	50	20	HJGD	
O=C(O)c1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1F	782915507	HYZMGXIHPOGJTG-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(Cl)s2)c(C)n1C[C@@H]1CCCO1	786308863	JKXGEIIKIVGBGR-NDCSFFLDSA-N	404.919	4.649	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)c1nc(C(F)(F)F)cs1	787421303	QOCJAACZBYIZGC-RXMQYKEDSA-N	417.215	4.995	50	20	HJGD	
CO[C@H](C)C(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C	787960304	QSNHJADFQPXSPP-GFCCVEGCSA-N	402.405	4.944	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(-c2noc(C(F)(F)F)n2)c1	788300390	KMGMBRYHYHDDKV-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc(F)cc2)C2CC2)c1C	790312329	QAMJCBWLYHNXDB-RHLNUJDMSA-N	409.505	4.550	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)Nc3ccc(Oc4cccnc4)cc3)cc2C1	808897232	CUYDAKNNOZBFOX-AWEZNQCLSA-N	422.510	4.527	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nc(C(C)(C)C)n[nH]2)c(C)n1C1CCCCC1	816407703	MPRONGRMDFJCBZ-PDGQHHTCSA-N	409.534	4.676	50	20	HJGD	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cc(C)cc(C)c2)c1	857502389	GZQYUVXZBUNJGZ-UHFFFAOYSA-N	412.493	4.922	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc3cc(OC)ccc3c2)c1C	892268796	IGTLURAUDUXWDT-QRVIBDJDSA-N	418.493	4.564	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OCc1cccnc1)C12CC3CC(CC(C3)C1)C2	914692582	SAJBDMSQCDFXBG-UHFFFAOYSA-N	423.944	4.981	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCCC[C@H]2c2ccccc2)c1C	917715559	ZCYIYEZKHKBXGG-PSJJOBAMSA-N	405.542	4.802	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(COC(C)C)cc2)c(C)n1C[C@@H]1CCCO1	919935353	BUMUWLANFCODQD-MFUBYVTQSA-N	421.541	4.755	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)cc1Cl	1116148851	SVFGHCZNXGPFGB-UHFFFAOYSA-N	409.317	4.979	50	20	HJGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NN=Cc2cc(-c3ccccc3)cs2)CC1	1318615660	WRNHKZZLOIUDRR-UHFFFAOYSA-N	413.543	4.512	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3)CCC2)cc1	1786446452	FBUPZWXNHBQWHN-HXUWFJFHSA-N	414.933	4.850	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C3(C(F)(F)F)CC3)cc2)CCC1	1789195196	QGTAEKOMNDUATQ-OAHLLOKOSA-N	416.871	4.871	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cc(F)ccc1Cl	1790669159	VFIWQHUHPZVYLU-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
CC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCCCCl)[C@@H]1c1cccnc1	1806721031	QRRPAJCZCRLTNG-JTHBVZDNSA-N	422.013	4.857	50	20	HJGD	
CC1(C)CCC(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](F)Cl)n[nH]2)CC1	1818041587	JHEOMXKNLLPHBO-QAPCUYQASA-N	412.937	4.543	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CO[Si](C)(C)C)CC1	1829103275	FRSWQSDCSSRNAW-PZJWPPBQSA-N	424.702	4.674	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)C23CC(C2)C3)C1	1846736283	FHAFEMZSHNYKPC-UHFFFAOYSA-N	409.014	4.740	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)c1C	25734762	QGDBEDNFEDFDER-ISXGRJCASA-N	421.541	4.999	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc(Oc2ccccc2)nc1	727171921	AIOBZNXLFNGCKG-UHFFFAOYSA-N	406.511	4.629	50	20	HJGD	
Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	727934163	BTMYLONYMAVWDC-XPTSAGLGSA-N	406.861	4.831	50	20	HJGD	
CCCOc1c(Cl)cc(C=NNC(=O)c2cccc3ncccc23)cc1OCC	730147512	WBFGVPZUBYHIEM-UHFFFAOYSA-N	411.889	4.840	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(/C#N)c1nc2cc(F)ccc2s1	730149805	ZLZIRPBLQZVFCR-UVTDQMKNSA-N	418.453	4.862	50	20	HJGD	
COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccccc1	731036526	ADJLWTJXUGKGIX-QFIPXVFZSA-N	415.942	4.544	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3c(C)noc3C)c2C)cc1	733763622	DIWOVZYWFJYDJX-IXGURIBZSA-N	402.498	4.792	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)ccc1Br	734252681	BBCFPHUNPJURFW-UHFFFAOYSA-N	405.683	4.558	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OC(F)F)cc1	734305177	LIWYYQUQWWCYAH-NVNXTCNLSA-N	421.241	4.582	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccc(Cl)nn1)c(C)n2C1CCCCC1	735688341	RCLNCRUNFXPVGZ-UHFFFAOYSA-N	413.909	4.664	50	20	HJGD	
COc1cc([C@H](C)NC(=O)NNc2c(F)cccc2F)ccc1OC1CCCC1	735759376	UBIQHYSTMOPFFX-ZDUSSCGKSA-N	405.445	4.682	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1	736212631	SGHOEMLTXYJVCW-FIWMFUAISA-N	424.928	4.618	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccccc1Sc1ccccc1	741891363	BEQNZGFWTPTSNZ-UHFFFAOYSA-N	412.514	4.995	50	20	HJGD	
CC(C)c1cnc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)s1	742125465	KXTBHUYCHMLCJU-BOPFTXTBSA-N	416.510	4.589	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2cnccn2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	743059066	QZFBZARKXDNASS-GDNBJRDFSA-N	410.355	4.833	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	744502201	NOFKQBCFMCVSBA-PNWWAVQQSA-N	418.493	4.701	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)cc1	748359772	LCWQDRJZPLZUQF-OUKQBFOZSA-N	423.460	4.525	50	20	HJGD	
Cn1c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)ccc1-c1ccc(F)cc1	748704187	AFQFLURSNJBUNV-UHFFFAOYSA-N	407.367	4.529	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	748736398	AGIGTMJNWAABKU-UHFFFAOYSA-N	420.307	4.861	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)cc1	749200728	RMXSEFKJFVAAJZ-UHFFFAOYSA-N	422.529	4.621	50	20	HJGD	
Cc1cnc(COC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)cn1	750102808	CKEQYIXNNVHCER-UUYOSTAYSA-N	422.488	4.996	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1ccc(Cl)c(Br)c1	753655495	DDZDTEPIVZZUIO-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C	754565664	FGMWKHBGXPDHPP-DFBPDIJHSA-N	409.505	4.598	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1-c1ncco1	757714481	GKEWQNKAXHEWQX-UHFFFAOYSA-N	422.485	4.541	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)c1cccc(C(=O)c2ccccc2)c1	762002314	AWVIMHUJJLSEOL-OAHLLOKOSA-N	410.420	4.766	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(Br)c([N+](=O)[O-])c1	767407355	ORMONDZSKXKKTD-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)cc2[N+](=O)[O-])c1C	767716357	AYOHCSNCONCKPC-ZSOIEALJSA-N	400.232	4.520	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cn(C)nc2-c2cccs2)c(C)n1CC(F)(F)F	769552051	SHEHOQYUNQYQQQ-RIYZIHGNSA-N	418.444	4.919	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1sc(C(C)(C)c2ccccc2)nc1C	769738077	HDBJVKIXBDQAPO-UHFFFAOYSA-N	408.527	4.552	50	20	HJGD	
CCN(C(=O)Cc1ccc(NC(=O)NNc2ccc(F)cc2)cc1)c1ccccc1	769973186	FWANCGSBTZPCQR-UHFFFAOYSA-N	406.461	4.570	50	20	HJGD	
COc1ccccc1/C=C(\C(=O)NNc1ccnc(Br)c1)c1ccccc1	771541767	UOQFYPRTCOSHRJ-AQTBWJFISA-N	424.298	4.537	50	20	HJGD	
O=Cc1cccc(OCc2ccccc2C(=O)NNc2ncc(Cl)cc2Cl)c1	775272576	FJWTYHIDQVKDSV-UHFFFAOYSA-N	416.264	4.537	50	20	HJGD	
Cc1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1C(N)=O	777623147	GGVNHYIETRHCSQ-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
C#CCCN(CC(F)(F)F)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778073328	TVUALHSOZVNDBU-UHFFFAOYSA-N	417.343	4.920	50	20	HJGD	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2ccccc2OC(F)(F)F)c1	779201804	OHODACHBEMFLRA-UHFFFAOYSA-N	415.799	4.590	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1nc(Br)cs1	779573808	NEGFZZCHOOSXNW-UHFFFAOYSA-N	401.500	4.623	50	20	HJGD	
O=C(NN=c1cc[nH]cc1)c1oc2ccccc2c1CSc1ccccc1Cl	780756628	OSWZPWIUITZGHL-UHFFFAOYSA-N	409.898	4.952	50	20	HJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)/C(C#N)=C\c2ccccc2)cs1	785379337	ZXMUBXHMFZIDLH-UNOMPAQXSA-N	417.490	4.787	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	787323202	ASUOQHFHIFPSSA-ZBXXMNEPSA-N	415.468	4.780	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)nc(Cl)c2)c(C)n1C[C@@H]1CCCO1	787937258	CMWZFXSWIOVRRK-OLMDTSMNSA-N	419.312	4.531	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cccnc2)c(C)n1-c1cccc(Cl)c1	790095254	DBIJYDAVWGCANM-JAIQZWGSSA-N	404.901	4.708	50	20	HJGD	
O=C(NN=Cc1c(F)cccc1Br)c1ccc(COc2ccccc2)o1	794478104	LHHQMLLDIHQADR-UHFFFAOYSA-N	417.234	4.524	50	20	HJGD	
CCCCCNC(=O)/C(C#N)=C\c1csc(N(C(C)=O)c2cccc(Cl)c2)n1	797341404	GSVSNFBPAUTGAB-GDNBJRDFSA-N	416.934	4.694	50	20	HJGD	
COc1ccccc1-c1noc([C@H](C)NCc2ccc(OCCCCl)cc2)n1	811495525	MTYJVFFLTYGCAD-HNNXBMFYSA-N	401.894	4.604	50	20	HJGD	
O=C(/C=C/c1ccc(OCCCCl)cc1)c1ccc(S(=O)(=O)C(F)F)cc1	811692251	WUYKOHWVDZGCIQ-NYYWCZLTSA-N	414.857	4.587	50	20	HJGD	
Cn1ncc(C=NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1Cl	814713325	LEKQYFZDGQWISX-UHFFFAOYSA-N	424.291	4.706	50	20	HJGD	
COc1cc(C(=O)NN=C2CC[C@@H](c3ccccc3)C[C@@H]2OC)ccc1OC(C)C	814756040	JUHGLFGPKGPJJA-GCJKJVERSA-N	410.514	4.551	50	20	HJGD	
Cc1csc(CC(=O)NN=Cc2ccc(-c3ccc(Br)cc3)s2)n1	863967347	FAWQMLPKGATPLP-UHFFFAOYSA-N	420.357	4.635	50	20	HJGD	
CCOC(=O)N(C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	919770093	XBRGROLNSPOFTH-DEDYPNTBSA-N	422.529	4.899	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)c2nnc(-c3cccc4ncccc34)o2)c1C	1257876465	ISANLKFJSCPEEL-QUYZQLMHSA-N	413.481	4.975	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cccc2ncccc12	1788584546	YQJFKZLDSBROTB-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)cc2F)[nH]n1	1815322041	KGPLTSNNFIEPHW-YJBOKZPZSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC)cc2)CC1	1830070191	KJVIERWHMJSBTN-VXKWHMMOSA-N	419.009	4.890	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1	1830991000	PCIDJKNXWRHYQM-PMACEKPBSA-N	416.949	4.684	50	20	HJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c(C)c1	1454069	INGRHQYEQHGQFJ-QGOAFFKASA-N	400.438	4.856	50	20	HJGD	
COc1ccc(NC(=O)COC(=O)CCCC[C@H]2CCSS2)cc1Cl	6398984	ZSCBRKZVIQNGAE-ZDUSSCGKSA-N	403.953	4.544	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2sc(-c3ccc(F)cc3)nc2C)c1C	15665405	IBUQYJYLRNHELW-UHFFFAOYSA-N	414.531	4.506	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)c3ccoc3C)cc2)cc1	213024010	ALEHSKWWTRCUJP-MOSHPQCFSA-N	401.418	4.744	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1C	302892857	JGAZOAHUFHUAPK-UDWIEESQSA-N	420.538	4.729	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(-n3cccc3)c2)c(C)n1C[C@H]1CCCO1	726934723	XQCMHEUDDMBNPG-OBVMJLIASA-N	414.509	4.620	50	20	HJGD	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727847324	WXHRRJFKCFWWBD-JTQLQIEISA-N	423.325	4.651	50	20	HJGD	
CCn1nc(C)c(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1C	727974217	IQHZLINLMFJEQR-ZROIWOOFSA-N	411.918	4.842	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1csc(-c2cccs2)n1	728428329	VAOYOYHARPLYRY-CQSZACIVSA-N	407.520	4.942	50	20	HJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(OCc2ccccc2)nc1	729515352	XQOMVXXEUURGCA-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=Cc3c(F)cccc3Cl)s2)cc1	730557392	CXLBCUDFHKMAIB-UHFFFAOYSA-N	403.866	4.562	50	20	HJGD	
Cn1nc(-c2ccccc2)c(C=NNC(=O)c2cc3c(s2)CCCCC3)c1Cl	734746450	YHUWRNDQDLCZCF-UHFFFAOYSA-N	412.946	4.835	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C[S@](C)=O)c2C)c1C	735022801	UQUGAESWNRNOJE-BCMZQPROSA-N	411.571	4.638	50	20	HJGD	
COCc1cccc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1	743424542	MRELOJFPFREEOM-UHFFFAOYSA-N	408.885	4.829	50	20	HJGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743585935	QZEZVZSQTMKFGW-OAQYLSRUSA-N	402.498	4.711	50	20	HJGD	
Cc1ccccc1[C@@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)[C@@H](C)CO1	744407649	YCZNJOPPDULOOG-NVQXNPDNSA-N	419.505	4.771	50	20	HJGD	
Cc1cnc([C@@H](NC(=O)NNc2nc(Cl)c(Cl)cc2Cl)C2CC2)s1	745866146	KDYFXKNMHVVSNG-JTQLQIEISA-N	406.726	4.584	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1	746820978	KYHPPCWMKORSHG-UHFFFAOYSA-N	401.841	4.607	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)nc(O)n2C1CCCC1	747608888	CKVCJWPITYIIBH-UHFFFAOYSA-N	404.392	4.633	50	20	HJGD	
C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNc1ccc(Cl)cc1Cl	748007835	FLFZMYVNBASETO-MRVPVSSYSA-N	421.111	4.562	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CC2CCCC2)cc1	749449187	CGVNWFUZIMDGET-UHFFFAOYSA-N	402.498	4.578	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)c1C	754175118	ZFTPLCPBZVSHCX-UHFFFAOYSA-N	421.570	4.553	50	20	HJGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)c1	757737409	ZZCRPNWDRKRJQV-UHFFFAOYSA-N	401.875	4.614	50	20	HJGD	
COc1cc(F)cc(NNC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)c1	759318940	AXKNRHFFVLXXEW-NSHDSACASA-N	405.882	4.660	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(C3CCC3)cs2)c(C)n1C[C@@H]1CCCO1	767105343	DXCPQZHFFBESPL-VBIXMBBUSA-N	410.543	4.554	50	20	HJGD	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NNC(=O)c1ccc2ccccc2c1	767754640	LDQDDAGNYYBNGG-IBGZPJMESA-N	415.415	4.786	50	20	HJGD	
CCS(=O)(=O)C1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	770741367	VFWXMEFRHGLVBL-UHFFFAOYSA-N	422.441	4.775	50	20	HJGD	
CC(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	773464966	BMBOFVOSIISWBP-GXTWGEPZSA-N	416.412	4.602	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(C)n1C1CCCCC1	776469592	RDOUOEJUKFQARV-MNJKBJKMSA-N	405.546	4.994	50	20	HJGD	
CCn1nc(C)c(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1C	777930500	DCQKITAOMYSZKA-UHFFFAOYSA-N	419.441	4.656	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1	780023592	LSPHATOIGHLHIA-UHFFFAOYSA-N	406.486	4.656	50	20	HJGD	
C[C@@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)NN=c3cc[nH]cc3)c2C1	781019386	ICOVJEMIPKGTGP-IBOXJLQUSA-N	410.477	4.525	50	20	HJGD	
Cc1nc(-c2ccc(NC(=O)C(=O)NNc3cc(Cl)cc(Cl)c3)cc2)cs1	792441006	KACYPVVZAQNBPL-UHFFFAOYSA-N	421.309	4.507	50	20	HJGD	
C=C(CBr)COC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C	795429844	VHNNAZBRZRMGNU-UHFFFAOYSA-N	412.667	4.602	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1cc(C#N)cc(Cl)n1	797749724	ZSSRASNULLDWJU-UHFFFAOYSA-N	422.659	4.634	50	20	HJGD	
O=S(=O)(N[C@@H](C1CC1)C(F)(F)F)c1ccc(S(F)(F)(F)(F)F)cc1	808329053	XOOQDQCLKONLKK-JTQLQIEISA-N	405.332	4.963	50	20	HJGD	
N#CCc1ccc(OCc2cccc(NC(=O)NNc3cccc(Cl)n3)c2)cc1	814605363	ZKYRSLUSCDZLFF-UHFFFAOYSA-N	407.861	4.529	50	20	HJGD	
CCc1sc(C(=O)NNc2ccccc2Br)cc1Br	815851857	WXZIHCHZVYABHE-UHFFFAOYSA-N	404.127	4.592	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc(Cl)n3)c3cnn(C(C)C)c3n2)cc1	817009292	CUUYLEQOIXTOOF-UHFFFAOYSA-N	420.904	4.793	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3cnc(C)s3)c2C)c1	916506414	DVBLIQWBJNDAFW-JAIQZWGSSA-N	404.539	4.733	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1OC(F)F	917029321	BVBNIOYOGBGJPK-UHFFFAOYSA-N	420.412	4.928	50	20	HJGD	
CC[C@H](NC(=O)NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1OC	918207547	FDEAJIKHGGZIIQ-ZDUSSCGKSA-N	402.804	4.540	50	20	HJGD	
Cc1noc(C2CCN(C(=O)/C(C#N)=C/c3cc(C)n(C4CCCCC4)c3C)CC2)n1	919710261	MMKBORCTEYZRFN-KGENOOAVSA-N	421.545	4.615	50	20	HJGD	
NC(=O)c1ccc(-c2nc(COC(=O)CCCC[C@@H]3CCSS3)cs2)cc1	920510258	YYSGBWFKOZFOHH-MRXNPFEDSA-N	422.597	4.666	50	20	HJGD	
Cc1sc2nc(CC(=O)NN=CC3CCC(c4ccccc4)CC3)nc(O)c2c1C	1321653672	ZDJVPBWYOVVBQJ-UHFFFAOYSA-N	422.554	4.632	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OC)c3F)CCC2)cc1	1790488406	NYSVJQYEEHUOKB-QGZVFWFLSA-N	418.896	4.599	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816690893	TWPPPAYUARPZSA-QGZVFWFLSA-N	408.974	4.637	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2OC(F)F)cc1	6410825	BAJKBJXMLRDHMW-NTEUORMPSA-N	408.351	4.997	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c1	13140904	JWBJNRNXQLTTGB-DEDYPNTBSA-N	406.445	4.733	50	20	HJGD	
Cc1cccc(COc2cccc(C(=O)NNC(=S)Nc3ccc(C)c(C)c3)c2)c1	46772579	BAXVDLWGGSXRNR-UHFFFAOYSA-N	419.550	4.822	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](SCc2ccccc2)C(C)C)c1C	727484811	VHKROQJASQAUQF-LJQANCHMSA-N	401.601	4.579	50	20	HJGD	
O=C(CCc1cccc(OC2CCCC2)c1)NNC(=O)c1ccc(Cl)cc1Cl	727673222	VSNXNNLLSYLJPO-UHFFFAOYSA-N	421.324	4.709	50	20	HJGD	
COc1ccc(Cl)cc1C=NNC(=O)c1ccc(Br)cc1Cl	728782912	YOZJDLCJDSYTFW-UHFFFAOYSA-N	402.075	4.528	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc(F)cc3F)c2C2CC2)cc1Cl	733364832	PNKKWJGWDZKMFC-UHFFFAOYSA-N	402.832	4.747	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(CN(C)C)cc2)c(C)n1CCC(C)C	738515972	HCDJUJFMUMCUTD-MFKUBSTISA-N	420.601	4.778	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)c1	738556021	QLJZFFKJIWRNFJ-CQSZACIVSA-N	409.477	4.834	50	20	HJGD	
CCCCc1nc2ccc(NC(=O)/C(C#N)=C/c3cc(C)n(CCOC)c3C)cc2[nH]1	743941327	RVNLFWRSADOUGG-CPNJWEJPSA-N	419.529	4.516	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2sc3cc(F)ccc3c2Cl)c1	745195904	VALBJTJAGGULHD-UHFFFAOYSA-N	411.886	4.773	50	20	HJGD	
O=C(NCc1ccc(OC2CCCCC2)cc1)NNC(=O)c1cccc2ccccc12	745791624	ARGUTHADSXOPJL-UHFFFAOYSA-N	417.509	4.696	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Cl)cc1Cl	745986845	RIXKXKJMXBHCJR-UHFFFAOYSA-N	404.209	4.926	50	20	HJGD	
C[C@@H]1CCCN(Cc2csc(NC(=O)NNc3ccc(C(F)(F)F)cc3)n2)C1	746671770	OOOCLWRFIBLUAG-GFCCVEGCSA-N	413.469	4.542	50	20	HJGD	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NNC(=O)c1cc2ccccc2o1	750285259	ZWMJMYTZWZIQQG-LLVKDONJSA-N	406.269	4.787	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C[C@H]3CCOc4ccccc43)cc12	752154199	CSHXDELJZCZJDI-MRXNPFEDSA-N	416.506	4.677	50	20	HJGD	
Cn1ccnc1SCc1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1	752810814	NPGQMEDZWCIRLI-UHFFFAOYSA-N	407.326	4.776	50	20	HJGD	
O=C(NN=C1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cc2ccccc2cc1O	753693079	OGRCYFTYPUTHBQ-QGZVFWFLSA-N	403.438	4.582	50	20	HJGD	
CN(C)c1ccc(-c2cncc(C(=O)NNc3cc(C(F)(F)F)ccc3F)c2)cc1	754149256	UUTJHBXVKQNLAU-UHFFFAOYSA-N	418.394	4.729	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cccnc3Cl)c3ccccc3n2)cc1	754485292	SJBCMVLCOJVOEH-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1cccc(-c2ccccc2OC)c1)c1ccccc1	756514261	ZYPBGWVBLUDGFK-FQEVSTJZSA-N	403.482	4.709	50	20	HJGD	
Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762662207	OFBSFIGCTHRTHC-MRVPVSSYSA-N	413.368	4.765	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)C2CCC(F)(F)CC2)c1C	763081298	MVMCMUWGAWGFRI-XDHOZWIPSA-N	406.473	4.750	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cccc2ccsc12	768711437	BHOYVHZKDCFTAV-UHFFFAOYSA-N	415.400	4.529	50	20	HJGD	
CCOCCOc1ccc(Cl)cc1NC(=O)NNc1nc2ccccc2s1	770024103	UDGCQALRGRQKPV-UHFFFAOYSA-N	406.895	4.514	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC=C(c2ccc3c(c2)OCCO3)CC1	771330536	ZFNRRVHBRLMTGX-GOSISDBHSA-N	405.585	4.788	50	20	HJGD	
CN(C)c1ccc(-c2cncc(C(=O)NNc3ccnc4cc(Cl)ccc34)c2)cc1	771541831	WJUDOZJWIICYMH-UHFFFAOYSA-N	417.900	4.773	50	20	HJGD	
Cc1ccc(-c2nnc(-c3ccc(C(=O)NNc4c(C)cccc4F)cc3)o2)cc1	771712942	JKYGLVGTSDOJPU-UHFFFAOYSA-N	402.429	4.916	50	20	HJGD	
N#C/C(=C/c1cc2ccccc2nc1N1CCOCC1)C(=O)c1ccc(F)c(Cl)c1	773163312	XRCWTJBKGVDTCW-PDGQHHTCSA-N	421.859	4.654	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3nc4ccccc4cc3C)s2)cc1	777479773	QKNAOAWDBPUOKN-UHFFFAOYSA-N	404.495	4.741	50	20	HJGD	
CN(C[C@H]1CCCC[C@@H]1O)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778058830	NYZJTDBCKWFJKO-RISCZKNCSA-N	409.442	4.516	50	20	HJGD	
N#Cc1ccccc1Oc1ccccc1C(=O)NNc1ccc(-c2ccccc2)nn1	778507428	AHBUCUPCQPFYII-UHFFFAOYSA-N	407.433	4.564	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(Sc2ccccc2)c1	785018111	BOWBDBMSSDQFDE-UHFFFAOYSA-N	415.518	4.631	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1	787501229	MQHZWECWACLBLE-AQTBWJFISA-N	408.417	4.673	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1	788180792	GODOGYUDUYNWOO-UHFFFAOYSA-N	414.868	4.616	50	20	HJGD	
COc1cc(NNC(=O)Nc2c(F)cc(F)cc2Br)ccc1Cl	788677592	UHABCYBIFXFYKW-UHFFFAOYSA-N	406.614	4.538	50	20	HJGD	
COc1cc(NNC(=O)CCc2nc3ccccc3n2-c2ccccc2)ccc1Cl	790165393	ABUPDSGGZOXMDX-UHFFFAOYSA-N	420.900	4.763	50	20	HJGD	
Cc1nc(O)cc(-c2ccc(NC(=O)NNc3cc(Cl)cc(Cl)c3)cc2)n1	790603812	KYOCSTQJYZBSTD-UHFFFAOYSA-N	404.257	4.613	50	20	HJGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1csc(-c2ccc(F)cc2)n1	794781566	WOVAFMITGAYWDL-UHFFFAOYSA-N	405.454	4.632	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	805470843	VDGGUROEMPYJGH-CVEARBPZSA-N	405.527	4.547	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc(-c2ccc(Cl)s2)nc1	806530874	NRAQRTVPQNMETC-UHFFFAOYSA-N	400.895	4.670	50	20	HJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cccc(NC(=O)C(F)(F)F)c1	810199950	GXJKCKRIXIYRHX-BOPFTXTBSA-N	415.415	4.858	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1	812769090	UENXGILPQDLKPO-UHFFFAOYSA-N	400.429	4.867	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1	813039212	LJRFALJVKYVEPW-MRXNPFEDSA-N	409.534	4.790	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cc(F)c(Cl)cc1N1CCOCC1	813884042	ZSDVDMDMLMOWCK-CYBMUJFWSA-N	418.987	4.968	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817013758	BNEKTMHAXUDUIW-VZUCSPMQSA-N	417.284	4.914	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc3ccccc3c2)c(C)n1C[C@@H]1CCCO1	912574595	LLADDQAANNEWGU-JGTYQCAFSA-N	400.478	4.950	50	20	HJGD	
O=C(NNC(=O)C1CCCC1)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2	914843901	DQPZPNSBSGPNHP-PEZBUJJGSA-N	417.534	4.734	50	20	HJGD	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CC2)cc1	915848106	PXFSMPOXGXHYLZ-RGEXLXHISA-N	412.493	4.512	50	20	HJGD	
COC(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	917706974	FIHSLKGSIOWRSD-UNOMPAQXSA-N	408.502	4.875	50	20	HJGD	
Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)c3ccc(CCCl)cc3)cc2)cs1	917874462	HPGGNHPARDWSAR-AWEZNQCLSA-N	420.987	4.939	50	20	HJGD	
COc1cscc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1	1786011065	XLFTXWCZKOAEFO-UHFFFAOYSA-N	420.962	4.769	50	20	HJGD	
Cc1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)ccc1O	1786012473	CXLDAQHNKOBPNL-UHFFFAOYSA-N	414.933	4.713	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccc2ncccc2c1	1788584051	IXODNPXYUBASSQ-LJQANCHMSA-N	411.864	4.517	50	20	HJGD	
Cc1ccc(/C=C/C(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)s1	1788587359	CFYVOHSHMDJYGS-BBVFFXRHSA-N	406.910	4.738	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4n3C)cc2)CCC1	1788885976	LRQCSSQZYDVGBP-IBGZPJMESA-N	423.944	4.943	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc(F)cc2Br)cc1	14852033	LMPUTJWDXQQYCB-UHFFFAOYSA-N	424.339	4.562	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1C	105285618	NSDGCDKGWWZXTB-KDVQLTRESA-N	401.894	4.520	50	20	HJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC	215073255	AHPWEZCGSNUVRW-LDADJPATSA-N	402.450	4.801	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)c1C	726511457	YURRLIXLUWEJFE-HOHIEZGPSA-N	405.542	4.849	50	20	HJGD	
O=C(/C=C\c1cccc(OC2CCCC2)c1)NNC(=O)c1c(Cl)cccc1Cl	727791541	LQTGAPVCYZHFBY-QXMHVHEDSA-N	419.308	4.789	50	20	HJGD	
Cc1sc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c(C(N)=O)c1C	728168353	KHJROBJWSSHLJL-WOJGMQOQSA-N	424.570	4.933	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)ccc1OCC(F)(F)F	732714728	DKRGORJLBFBFAJ-LFIBNONCSA-N	410.436	4.724	50	20	HJGD	
O=C(NN=Cc1c(Cl)cccc1OC(F)F)c1cc(F)ccc1Br	732924801	KAUXMAOYGWMORE-UHFFFAOYSA-N	421.600	4.607	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2sccc2-c2ccccc2)c1C	734256869	PHZPLPMYZCRYGE-UHFFFAOYSA-N	401.495	4.641	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1sc(-c2ccccc2)nc1-c1ccccc1	735688827	YEESSDAFWUHAAP-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
O=C(CCc1cc(Cl)cs1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	736543392	JPYIAAXRKSXYLO-UHFFFAOYSA-N	408.907	4.663	50	20	HJGD	
O=C(Cc1ccc(Cl)c(Cl)c1)NNc1c(F)cc(F)cc1Br	741981004	XELPWSJHAMJARE-UHFFFAOYSA-N	410.045	4.720	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)COCC(F)(F)F)c(C)n1C1CCCCC1	742409282	AXKMKSQHEXZIOG-FNHQQPGVSA-N	411.468	4.601	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC2(CCOCC2)C1	743086942	FWTMJAHUCLMOSQ-CQSZACIVSA-N	408.873	4.940	50	20	HJGD	
CCCCC[C@@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1	745804400	AFGIOQWYJRSTHM-GOSISDBHSA-N	420.460	4.945	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccccc1	746420175	DEQHIMRPRQUOKD-DNVCBOLYSA-N	421.463	4.723	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1nc(-c2cccs2)n(-c2ccccc2)n1	746697111	LBNMBGWPNSRNOU-UHFFFAOYSA-N	413.865	4.545	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccc(Br)cc2F)c1	748199952	CQGLZDGOAZRYBM-UHFFFAOYSA-N	424.270	4.692	50	20	HJGD	
Cc1onc(-c2cccc(Br)c2)c1C(=O)NNc1cccc(Cl)c1	751583791	AZORNVQJFGEZDI-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(Oc2ccc(C)cn2)cc1)c1ccccc1	756561539	DTUBSTMKJOCXPK-FQEVSTJZSA-N	404.470	4.529	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3cc(C)sc3C)cc2)n1	760226366	UNNHLXGEMAMGPE-UHFFFAOYSA-N	410.568	4.828	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)cc1	765062411	XCDXATBHCMVYTQ-WFVLPUPGSA-N	402.498	4.800	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc(Cl)cc3C)cc2)cc1	767856028	MSZBCVTVKWVYQZ-UHFFFAOYSA-N	414.914	4.547	50	20	HJGD	
CC(C)(C=NNC(=O)c1c(Cl)cccc1Cl)[C@@H](C[N+](=O)[O-])c1ccccc1	771100859	OAPKCYXQVZOBAT-AWEZNQCLSA-N	408.285	4.796	50	20	HJGD	
N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1F	773155181	SGBQKJGKCUMVAS-BJMVGYQFSA-N	409.598	4.940	50	20	HJGD	
Cc1ccccc1COc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cn1	775256842	TWUSUGUSAPFGNI-UHFFFAOYSA-N	401.388	4.745	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1	780802482	MJNYLMXRWXRVDU-UHFFFAOYSA-N	420.479	4.758	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccc(O)cc23)c(C)n1C[C@H]1CCCO1	782751203	SEHVIUARQOWTTK-ZRELAVNMSA-N	415.493	4.688	50	20	HJGD	
COC(=O)c1ccccc1OS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782974736	ZVFLHDGMPGHVHD-UHFFFAOYSA-N	418.361	4.898	50	20	HJGD	
Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981536	BLPZVQWUYATRSD-VIFPVBQESA-N	406.398	4.988	50	20	HJGD	
N#C/C(=C/c1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)Nc1ccccc1Cl	783696302	MEMFXNKJGDKKQA-XFFZJAGNSA-N	418.671	4.773	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	786612259	ZMZQUPVGUFBRGH-KDOFPFPSSA-N	417.575	4.969	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	787423503	DMZMCAZYFJXLII-CXDFQFJYSA-N	403.507	4.951	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CCC4(CCCO4)CC3)cc2)cc1	788013161	AIKSJBRZLYHAAK-UHFFFAOYSA-N	422.525	4.873	50	20	HJGD	
COc1cc(NNC(=O)NCc2cccnc2Oc2cccc(F)c2)ccc1Cl	788861946	NBLJWTCOYISISY-UHFFFAOYSA-N	416.840	4.501	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1ccc(-c2ccccc2)nn1	795164765	FPFPWBWPJWFENZ-UHFFFAOYSA-N	419.485	4.556	50	20	HJGD	
O=C(NN=Cc1c(F)ccc(Br)c1F)c1ccc(Cl)cc1Cl	799873806	YKGCLJDIEWURKH-UHFFFAOYSA-N	408.029	4.798	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1cc(F)c(Br)c(Cl)c1	802824176	URROCCNLYDIGNO-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
N#CCCCCCC(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	805156506	YCKQDWUMVGPAIU-UHFFFAOYSA-N	420.900	4.790	50	20	HJGD	
CCCc1cc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n(C)n1	807483847	BSYUDMCJENZAKJ-UHFFFAOYSA-N	412.384	4.607	50	20	HJGD	
Cc1cc(C(=O)COC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c(C)[nH]1	818005593	SZJJEYWJYLNRRN-NDENLUEZSA-N	407.514	4.888	50	20	HJGD	
CCN(Cc1ccccc1)c1ccc(C(=O)NNc2cc(C(F)(F)F)ccn2)cc1	857513337	BXIUBAOSRFADMS-UHFFFAOYSA-N	414.431	4.884	50	20	HJGD	
CSc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1	914464901	VFPDVDXVURSKAQ-NBVRZTHBSA-N	413.506	4.731	50	20	HJGD	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNC(=O)C1CCCC1	914836130	ATULHQALAADFEK-UHFFFAOYSA-N	413.736	4.840	50	20	HJGD	
CCOC(=O)C1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	915341337	SWOBAWCBPLZSGW-OAHLLOKOSA-N	424.872	4.713	50	20	HJGD	
O=C(NN=Cc1cccs1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	915908895	ZBKHRWUNVNRJDE-UHFFFAOYSA-N	411.486	4.826	50	20	HJGD	
COc1ccc(Oc2cc(CNC(=O)NNc3c(C)cc(C)cc3C)ccn2)cc1	916404565	ZVSLRDNNMPKLIP-UHFFFAOYSA-N	406.486	4.634	50	20	HJGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1ccc(-c2cccs2)cc1F	917542167	MYUVFQVWXADDPP-UHFFFAOYSA-N	406.486	4.617	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)c2nnc(CSc3ccc(C)cc3)o2)c1C	1117217465	IQYAMSMQKNVUOK-UNOMPAQXSA-N	408.527	4.799	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)nn1	1318639825	VIVDDDPTXOOKFP-UHFFFAOYSA-N	410.905	4.763	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccc(Cl)s1	1788580763	ZOJCOBBITGNNKI-CQSZACIVSA-N	401.290	4.684	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)c4n[nH]cc4c3)CCC2)cc1	1790489837	MVEDIFGBHVHCDW-LJQANCHMSA-N	424.932	4.636	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cccc2ccoc12	1790954751	TVAMRXXLMSREIT-UHFFFAOYSA-N	417.292	4.984	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)C(C)(C)Cc3ccccc3)C2)CC1	1805395984	VNZFYVQROVPJSY-FQEVSTJZSA-N	419.009	4.504	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1815322281	NMZCJSWPYKDFJI-JXGFJBPRSA-N	420.985	4.946	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)c2ccoc2C)cc1	7714408	WSJBSIMHBHBDDO-DEDYPNTBSA-N	401.418	4.744	50	20	HJGD	
O=C(CC[C@H]1Cc2ccccc2NC1=O)NNc1c(Cl)cc(Cl)cc1Cl	23606936	NOGVRMIAFOPOAY-NSHDSACASA-N	412.704	4.681	50	20	HJGD	
O=C(CCC(=O)NN=C(c1ccccc1)c1ccccc1)CCC(=O)c1cccs1	71887582	COIQZEMXVYKKLS-UHFFFAOYSA-N	418.518	4.629	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F)O[C@H](C)C2	215563130	GKKMAUPMRRMZTP-PWDRSIHYSA-N	402.372	4.583	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)CC(C)C)ccc1OCC(=O)Nc1ccccc1	726119701	ATOYQIBQCHIYEZ-UYRXBGFRSA-N	406.482	4.625	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)[C@H](C)CC)cc(Br)c1OC(F)F	726428415	LTWOJYCEWJADJX-HAAVITCDSA-N	402.235	4.971	50	20	HJGD	
COC(=O)C1CCC(NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	730131764	OSJADNDLAOMKJB-NWHVRFAMSA-N	424.872	4.759	50	20	HJGD	
COc1cc(CCNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)ccc1O	734175232	VFDNPFKPCHJVBH-QNGOZBTKSA-N	421.541	4.590	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)Cc3c(C)noc3C)c2C)cc1	737667147	UPJRDCFHHOLKAG-NXUSMQHESA-N	416.525	4.662	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)c1C	738507309	KBQRBIJRIAAGEX-CYBMUJFWSA-N	409.477	4.519	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccnc(-n2cccn2)c1	739498018	KPMXSIYWBIVHQX-INIZCTEOSA-N	412.824	4.739	50	20	HJGD	
O=C(NCCOc1ncccc1F)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	747215601	XPSGZYGSPJKFHR-CQSZACIVSA-N	423.819	4.641	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1	748415774	JBZJGIWNPOPRNJ-MRXNPFEDSA-N	420.340	4.606	50	20	HJGD	
Cc1c(NNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cccc1[N+](=O)[O-]	748679848	ANYDEDLLNVAKSI-UHFFFAOYSA-N	422.828	4.978	50	20	HJGD	
COc1ccc(-c2nc(C(=O)NNc3ccc(Br)cc3C)cs2)cc1	748731211	ZTBWHYBUFMXLDQ-UHFFFAOYSA-N	418.316	4.647	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cccnc1SC(F)(F)F	748754156	KBEZWUHRRQMDCG-UHFFFAOYSA-N	406.227	4.521	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NNC(=S)Nc1ccccc1-c1ccccc1	750983288	IUVJTENTLXOKAA-UHFFFAOYSA-N	411.914	4.647	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1	751876889	RYNOKFRQWSSRST-UYRXBGFRSA-N	414.440	4.693	50	20	HJGD	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NNc3ccc(C#N)c(Cl)c3)c12	753302630	NQIMHZNJLUJDAS-UHFFFAOYSA-N	421.819	4.619	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1NCc1ccco1	763545112	FDCZAQVVHCHUKG-UHFFFAOYSA-N	420.347	4.576	50	20	HJGD	
CC(C)Oc1cncc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	765669618	ABDIKLVDBFORRE-UHFFFAOYSA-N	419.106	4.695	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1	767935777	XFWKIFWENDFCLC-QGZVFWFLSA-N	418.335	4.756	50	20	HJGD	
O=C(CCc1ccco1)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	768255120	IYRDJERZKMLWRX-UHFFFAOYSA-N	419.868	4.542	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	768289672	BWZNMFFFXQLLTL-UHFFFAOYSA-N	423.479	4.508	50	20	HJGD	
CCn1nc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c2ccccc21	769723851	DHUGXFCFRGCESF-GDNBJRDFSA-N	400.404	4.827	50	20	HJGD	
Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)NNc2cccc(C#N)c2)n1	769956414	ABULQMNBKMTZCQ-UHFFFAOYSA-N	414.391	4.528	50	20	HJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccc(Cl)cc1Br	771680596	JSQFEDYTVYWSTB-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cccc(Br)c3OC(F)F)nc12	776729490	WHTQNLQKMBZELU-YRNVUSSQSA-N	405.202	4.694	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NNc1ccc2ccccc2n1	777463967	AFYRIEPUTPIZPL-UHFFFAOYSA-N	400.916	4.759	50	20	HJGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	779757654	CQUITOOOUGBSPC-HNNXBMFYSA-N	421.588	4.727	50	20	HJGD	
CN(C)c1ccccc1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	786844710	DXRDFFIZMXQUHQ-UHFFFAOYSA-N	416.437	4.889	50	20	HJGD	
COCCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1	787260275	CWMPEBGWKOXIME-BRYHAGSVSA-N	418.415	4.554	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1nnc(-c2ccc(Cl)cc2F)s1	791900418	AHACWMXJEGGTLB-UHFFFAOYSA-N	420.882	4.756	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ncc(-c3cccs3)[nH]2)c1C	792327320	VOCDXUABHXSJIE-WOJGMQOQSA-N	407.543	4.580	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccc(-c2ccccc2)nn1	795164271	BKYYLJIMPGIHCW-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
Cc1oc(C(C)C)cc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211339	PGKGHAOIEXUNGJ-UHFFFAOYSA-N	404.392	4.944	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2sc3ccccc3c2Br)cc1Cl	811030980	KVPDCHLTKBOFMA-UHFFFAOYSA-N	406.692	4.946	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc3ccccc23)c1C	914478325	HPKKUIZMISCOPH-VLZFXTDASA-N	401.510	4.689	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c(OC)c1OC	915847564	APYWBGAIRDZIPK-XFXZXTDPSA-N	407.253	4.565	50	20	HJGD	
CC(C)Oc1cccc(CNC(=O)NNc2nc(Cl)c(Cl)cc2Cl)c1	918225256	JJRQOAVHDDLZCA-UHFFFAOYSA-N	403.697	4.655	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2csc3ccccc23)c1C	918580981	YONOXXPTCZFSBE-XDHOZWIPSA-N	407.539	4.532	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1C	920012408	FZNQLZWTIHMSHL-CVGPFBNFSA-N	409.530	4.613	50	20	HJGD	
C#CCCOc1ccc(/C=C(\C#N)c2nc(O)c3cc(Br)ccc3n2)cc1	920066101	QNGRTOMTONGTJC-RVDMUPIBSA-N	420.266	4.564	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)s1)c1nnc(-c2ccccc2)o1	920382380	YQAXLCCADZFXTF-UHFFFAOYSA-N	408.870	4.882	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)C3(C)CCCC3)cc2)CCC1	1785903420	WPSSEPATZXWYLF-OAHLLOKOSA-N	421.379	4.732	50	20	HJGD	
Cc1csc(CCC(=O)NC2(c3ccc(NC(=O)[C@H](F)Cl)cc3)CCC2)c1	1788582135	AOSOJOMHOYVWOH-SFHVURJKSA-N	408.926	4.658	50	20	HJGD	
O=C(CCCCn1cccc1)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791604912	HBOPCGYKRXQSLX-UHFFFAOYSA-N	422.356	4.596	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3C3CC3)CC2)C1	1806163901	QQXNSACMGNEJKR-OAQYLSRUSA-N	416.993	4.816	50	20	HJGD	
Cc1ccc2c(COC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)cc(=O)oc2c1	6216227	WNFFGFLTPWBHDA-KEBDBYFISA-N	418.493	4.826	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(-c2ccco2)nn1-c1ccccc1	105449941	XTGFITNNEZQXBG-UHFFFAOYSA-N	412.371	4.908	50	20	HJGD	
COCCCOc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	303933925	RGJVRMSAQHFVFO-UHFFFAOYSA-N	403.693	4.819	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cnc(-c2ccccc2F)s1	727172893	NPMJEJBOICKYIS-UHFFFAOYSA-N	414.531	4.704	50	20	HJGD	
CCCc1nc(C)c(C(=O)NNc2ccc(Br)cc2C(F)(F)F)s1	731477843	OYUHEXCSHSOGPC-UHFFFAOYSA-N	422.270	4.942	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2C(=O)O)c1	731562485	CJDHQDYTQYJQLJ-YUZACMFVSA-N	418.493	4.566	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1ccc(OC(=O)c2cccs2)c(OC)c1)c1ccccc1	731931213	ZUCKLEOOXIXCLV-SFHVURJKSA-N	422.506	4.620	50	20	HJGD	
Cc1ccccc1[C@H](CC(C)C)NC(=O)NNC(=O)c1ccc(Br)s1	732820938	ZMYVCUQTLMZUOY-AWEZNQCLSA-N	424.364	4.550	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccon2)c(C)n1-c1cccc(C(F)(F)F)c1	744548401	NMSUTTFCOBCEGG-SXGWCWSVSA-N	415.371	4.751	50	20	HJGD	
C[C@H](NC(=O)NNc1c(Cl)cc(Br)cc1Cl)c1ccccn1	745289528	OSPMPFUDUHJBFX-QMMMGPOBSA-N	404.095	4.538	50	20	HJGD	
COc1cc(C(C)=NNC(=O)COc2ccc(Cl)cc2)ccc1SC(F)F	746486664	FCQNQKKVQKMFJB-UHFFFAOYSA-N	414.861	4.583	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)ccc1F	747588466	JHTVNDFZCHFNFO-UHFFFAOYSA-N	413.371	4.948	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Cl)cc2Cl)nnn1-c1cccc(Cl)c1	748008782	ZOIDKAMRAYDDHH-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
Cc1nc(COc2cccc(C(=O)NNc3ccccc3Br)c2)cs1	748058790	MOJKYSOWSOGNGW-UHFFFAOYSA-N	418.316	4.550	50	20	HJGD	
Cc1nc(-c2cccs2)sc1C(=O)NNc1ccc(F)cc1Br	748073716	VIFAXASTCLTTOT-UHFFFAOYSA-N	412.309	4.839	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC([C@@H]3CCOC3)CC2)c(C)n1C1CCCCC1	752980618	SKDZKWBABGBHEC-FYYJVHHASA-N	409.574	4.792	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1ccccc1SC1CCCC1	755723805	XLSFPCULKPQYTC-UHFFFAOYSA-N	422.510	4.843	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	767028525	DIWNCBPJNMUSNJ-OYNCUSHFSA-N	412.212	4.822	50	20	HJGD	
CSc1nc(C2CC2)cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c1C#N	767395259	AGJGZOHNQFZYNI-UHFFFAOYSA-N	411.289	4.755	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccccc2C(C)(C)C#N)c1C	767975679	JNEUHCJJFKUAFR-AIRTYWKNSA-N	419.525	4.764	50	20	HJGD	
COCCOc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(Cl)c1	770009877	KTPHLTWUEJKYKN-UHFFFAOYSA-N	407.656	4.568	50	20	HJGD	
CCc1nn(C)cc1C=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	770595327	QRBVJVDDWPOXJW-UHFFFAOYSA-N	412.946	4.692	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)c2ccco2)cc1	775473435	VQJBNGYODPFJBF-UHFFFAOYSA-N	404.348	4.699	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)cc1O	775639423	PCOGUDINRNJMMI-IZZDOVSWSA-N	424.197	4.555	50	20	HJGD	
C[C@@H](C(=O)NNc1ccccc1OC(F)(F)F)c1ccc(Br)s1	779200391	ADJCWUPRONNJCD-MRVPVSSYSA-N	409.227	4.656	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(NC(=O)c2cccs2)cc1	779202132	UKYVOJJJPKLGRP-UHFFFAOYSA-N	421.400	4.656	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1ccc(-c2ccccc2OC(F)(F)F)o1	781024208	AABYYIQOGGYPBK-UHFFFAOYSA-N	414.343	4.545	50	20	HJGD	
Cc1c(Br)cccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782821272	IXHSXOHIXXSGEM-UHFFFAOYSA-N	424.298	4.566	50	20	HJGD	
Cc1c(Cl)cc(NC(=O)C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1Cl	785167008	OAPJHMNUEDCWBH-UHFFFAOYSA-N	424.181	4.542	50	20	HJGD	
Nc1nc(Cl)cc(NNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	789196389	PRSXEOWFCUJMQQ-UHFFFAOYSA-N	404.752	4.518	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1NC(=O)N(C)C	794419989	ALUILHVDXHIGFW-JAIQZWGSSA-N	421.545	4.709	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3nccnc3C3CCC3)c(-c3ccccc3)n2)cc1	805471068	YYODHJHASYVVTC-UHFFFAOYSA-N	424.508	4.662	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1	817005412	SCPKTLNYKCZACV-UHFFFAOYSA-N	414.252	4.591	50	20	HJGD	
CCn1c2ccccc2c2cc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)ccc21	912646213	KHVNGWAKURCBOC-WQRHYEAKSA-N	407.477	4.879	50	20	HJGD	
CCC(CC)[C@H](NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1)c1ccccc1	916517567	AHYCKAQRZBZGNZ-QFIPXVFZSA-N	419.529	4.507	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cn(Cc2ccccc2)nc1-c1ccccc1	916552330	PNIAFXKHMXWBHK-UHFFFAOYSA-N	404.420	4.634	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ccc(Br)cc3)o2)c(C)c1	919745726	IQCGSYODZKGFEF-UHFFFAOYSA-N	415.287	4.995	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)c1C	920876332	HYFZATJRBUZCAP-BOURKTIISA-N	407.489	4.877	50	20	HJGD	
CCN(C(=O)COC(=O)CCCC[C@@H]1CCSS1)c1nc2ccccc2s1	921255569	UCYRVVNKWKKCPW-CQSZACIVSA-N	424.613	4.907	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OCc1cccnc1)c1ccccc1Cl	1317802217	KXQAIKVORJTPIC-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1ccc(-c2ccc(F)cc2)cc1F	1319748442	SCELPIRNBFCXNB-UHFFFAOYSA-N	404.214	4.546	50	20	HJGD	
CCc1ccnc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CCl)CCC3)cc2)c1	1788375987	XWGIEIDWLQTLJO-UHFFFAOYSA-N	413.949	4.657	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1cc2cc(F)ccc2[nH]1	1788585302	YXZSEPUQRQDRDZ-GOSISDBHSA-N	417.843	4.589	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1cc2ccsc2[nH]1	1788588956	QPAGBCDZGWGBLV-HNNXBMFYSA-N	405.882	4.512	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(F)c2)CC1	1824615621	OSGNMZUBTRFSAY-LEWJYISDSA-N	422.972	4.775	50	20	HJGD	
CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)CC1	1827614610	PZRKJUOBOSDHOD-VBSBHUPXSA-N	414.993	4.603	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)c2ccncc2)C1	1842396566	RQYVUQNAAJNTPS-UHFFFAOYSA-N	419.997	4.648	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1	6410529	WTGCCAMQEBETBG-OMNSNBSWSA-N	419.488	4.719	50	20	HJGD	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(-c2ccccc2)cc1	8088125	KKVRIWGVSFDBNH-UHFFFAOYSA-N	412.445	4.600	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c1C	211236294	OMUNHEHBUNXUIT-NDENLUEZSA-N	407.514	4.601	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)C(C)(C)c2ccccc2)c(C)n1C[C@H]1CCCO1	728003313	SGJARYJEVIGXOF-DDFBJSMGSA-N	419.569	4.673	50	20	HJGD	
Cc1sc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c(C(N)=O)c1C	728168354	KHJROBJWSSHLJL-WQRHYEAKSA-N	424.570	4.933	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)OCc2nnsc2Cl)c1C	729444960	NORWWOYCSRIAQS-SXGWCWSVSA-N	412.902	4.558	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1	729615910	HJLKKZUKSGQWHO-JOCHJYFZSA-N	424.932	4.626	50	20	HJGD	
CCCOc1c(Cl)cc(C=NNC(=O)c2ccc(O)c(Cl)c2)cc1OCC	734093717	PYXJMVLJIDOXBW-UHFFFAOYSA-N	411.285	4.650	50	20	HJGD	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNc5ncccc5Cl)(C4)C2)C3)cc1	734245813	QGJOYYJZWUEPLJ-SNTCSEMISA-N	411.933	4.725	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(-c3cccc(Cl)c3)on2)ccc1Br	734251426	OKQZBPMHPQIYMD-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2cc(Cl)ccc2Br)c1C	743427944	FYHKYZSOERENRX-CYBMUJFWSA-N	409.711	4.637	50	20	HJGD	
COc1cc(CCC(=O)NNc2ccc(Cl)c(F)c2)ccc1OCC(F)(F)F	746697098	KFLYSQDPXFSTHE-UHFFFAOYSA-N	420.790	4.505	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cccnc1Sc1ccccc1	748066178	MEJFFZIEFCZZJH-UHFFFAOYSA-N	400.301	4.752	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c(C)n1Cc1ccccc1	748630189	UZWCVJWWQVZMCP-UHFFFAOYSA-N	412.415	4.801	50	20	HJGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3ccccc3Br)c2c1	752143122	ZSMUAPIFBJVWRE-UHFFFAOYSA-N	412.287	4.640	50	20	HJGD	
CCN(Cc1ccccn1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	752472699	WMWQWDJWOLCTDZ-XSFVSMFZSA-N	402.473	4.584	50	20	HJGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cc(Cl)ccc1SC1CCCC1	755223221	ZFZGFIGKNJPIIT-UHFFFAOYSA-N	415.906	4.577	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1	755701874	YIKBCSIXYQXSAQ-LDADJPATSA-N	400.438	4.558	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	755855825	FEDSNUJIXCOZFU-UHFFFAOYSA-N	423.376	4.571	50	20	HJGD	
Cc1cccc(OCCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762642202	SJEKOUUKHMCPPG-UHFFFAOYSA-N	424.391	4.786	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(F)cc2)c1	775272053	YPYKJXGXGCHCQU-UHFFFAOYSA-N	419.243	4.537	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2ccccc2Oc2ccccc2C#N)c1C	778504998	UZYIOWJURWJFIY-UHFFFAOYSA-N	416.506	4.599	50	20	HJGD	
O=S(=O)(NCC1(O)CCCCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	782978584	CTMWTDCPSWEVEC-UHFFFAOYSA-N	409.442	4.708	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1[nH]ccc1-c1c(Cl)cccc1Cl	799731297	OACHORXLEQHCRE-UHFFFAOYSA-N	409.204	4.793	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1nc2cccnc2s1	801162421	RJHKYMZSEHEPGO-UHFFFAOYSA-N	418.103	4.518	50	20	HJGD	
O=C(NNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)Nc1ccccc1	801987937	DKBIHRQCDRLTDH-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
Cc1ccc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)c(-c2ccnn2C)c1	802709024	YVLLQJNXURWVAG-UHFFFAOYSA-N	415.522	4.591	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)ccc1Cl	804208226	CPIGFONDAKSRAC-UHFFFAOYSA-N	422.794	4.581	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F	806280975	JQALRDRIOWVKCB-UHFFFAOYSA-N	419.413	4.538	50	20	HJGD	
C[C@@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H](O)c1ccccc1	808947676	JHAIDJTWPSYJPV-ABAIWWIYSA-N	424.391	4.521	50	20	HJGD	
COc1ccc(NNC(=O)c2cncc(-c3ccc(C)cc3)c2)c(C(F)(F)F)c1	816703431	DVMHQKBAOLGZDR-UHFFFAOYSA-N	401.388	4.841	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cncc(Br)c2)c(C)n1CC(C)C	915167837	JCXMTNOATZRYNR-WSVATBPTSA-N	416.319	4.569	50	20	HJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/C#N)c1nc2ccccc2n1C	915849375	VACLFUUPGZEJKK-WJDWOHSUSA-N	405.864	4.983	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1C	916078968	HUTWPMXNMZTAAH-WLGHQHAYSA-N	423.532	4.845	50	20	HJGD	
COc1cccc(OCC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1	917631637	TXTDINBUMRRIPT-INIZCTEOSA-N	405.825	4.932	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)CSCc2ccc(Cl)cc2Cl)c1	920208694	VQQTYIOMBQBGIP-UHFFFAOYSA-N	414.383	4.553	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ncc(F)cc3F)CCC2)cc1	1786442790	QGSYFXFGSKTUGO-MRXNPFEDSA-N	421.875	4.515	50	20	HJGD	
CCCCC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](Cl)COC)CCC2)cc1	1791314400	QCFJLUAWUYAJKJ-QFBILLFUSA-N	408.970	4.591	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1	1791324304	WCSDXNJISIUOKX-AXVVYFOYSA-N	402.966	4.964	50	20	HJGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)s2)cc1	8120753	NGHLWDNMHXVKKV-NBVRZTHBSA-N	401.491	4.663	50	20	HJGD	
CC(C)Sc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1	108108958	GZJGUXDREORRLX-UHFFFAOYSA-N	420.534	4.694	50	20	HJGD	
CC[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1nc(-c2ccccc2)c[nH]1	110589035	FFRHJNDVJNMVAP-LJQANCHMSA-N	417.962	4.678	50	20	HJGD	
N#Cc1cccc(OCc2ccoc2C(=O)NNc2ccccc2C(F)(F)F)c1	726524955	RJSDHWXJPDGDHD-UHFFFAOYSA-N	401.344	4.506	50	20	HJGD	
Cc1ccc(-c2nc(CCNC(=O)NNc3ccccc3C(F)(F)F)co2)cc1	726712187	OMQSDSNDVWGYHA-UHFFFAOYSA-N	404.392	4.538	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)CCSc1ccc(F)cc1)c1csc2ccccc12	730066747	OWJQMPPCHPRCRW-ZDUSSCGKSA-N	417.531	4.614	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1C	730587361	KPTIILULOUBEJS-GJZGRUSLSA-N	408.354	4.732	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cc(C(C)C)no2)c(C)n1-c1ccc(F)cc1	733944969	SBKAWADQUSIXLU-VCHYOVAHSA-N	406.461	4.568	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1C	734396964	IIUUNGHRQYLHNH-NVIPHDJISA-N	423.532	4.797	50	20	HJGD	
Cc1cccc([C@@H](C)CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1	743627810	BSLXHZJNCMIROW-SFHVURJKSA-N	402.498	4.801	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)N1CCC2(CCCC2)C1	743987572	PNQNTMMDKJSYOI-INIZCTEOSA-N	420.884	4.637	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cnc(Br)cc2C)c1C	746007592	BZEBLPUECDPPST-CXUHLZMHSA-N	401.308	4.527	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2cc3sc(Nc4ccccc4)nc3s2)n1	748334738	LIWGZFONDOCFNY-UHFFFAOYSA-N	416.919	4.610	50	20	HJGD	
CC[C@@H](C)n1c(SCC(=O)NNc2cc(C)cc(C)c2)nnc1-c1ccccc1	748362921	ZYRKLPQUJVBDSK-QGZVFWFLSA-N	409.559	4.768	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Sc2nccn2C)c1C	748511026	ANMQMMMIZFMVMB-XMHGGMMESA-N	419.554	4.945	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1c[nH]cc1-c1ccc2c(c1)OCCO2	752809833	BOUFYAMTRSGSKG-UHFFFAOYSA-N	404.253	4.517	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)NNC(=O)c1ccc(Cl)cc1F	758277769	DCQXQWIGTBQBQE-UHFFFAOYSA-N	407.873	4.651	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(Cl)c2c(c1)OCCCO2	767407381	PARAYGCRJURSKX-UHFFFAOYSA-N	405.640	4.704	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)c(-c2cccs2)n1	769550876	IOTOFJROKZPXRU-YFHOEESVSA-N	404.314	4.762	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(c2ccccn2)C2CCCC2)c(C)n1C[C@H]1CCCO1	769723139	JKLUTSAWJRVVCW-JDCXBEBJSA-N	418.541	4.562	50	20	HJGD	
COC(=O)N(C)c1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	769976817	HDAFRUKKUSKXFF-UHFFFAOYSA-N	417.680	4.998	50	20	HJGD	
CC(C)(C=NNC(=O)c1ccc(Cl)cc1Cl)[C@H](C[N+](=O)[O-])c1ccccc1	771099783	ZRKHPJVXALPSGF-MRXNPFEDSA-N	408.285	4.796	50	20	HJGD	
COc1cc(NC(=O)NNc2ccc(Br)c(F)c2)ccc1OC(C)C	771208495	UPHHJSGEFKIZCF-UHFFFAOYSA-N	412.259	4.533	50	20	HJGD	
C[C@H](NC(=O)NNc1c(F)cccc1Cl)c1noc(-c2ccc(Cl)cc2)n1	771335554	WZYRNPGQZRWZIC-VIFPVBQESA-N	410.236	4.570	50	20	HJGD	
COC[C@@H](C)C(C)=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	777879508	QMPQCGWUKJGWRH-CQSZACIVSA-N	413.568	4.977	50	20	HJGD	
O=S(=O)(CCCCCl)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl	780799648	YEIOLJSBHJLYEK-QGZVFWFLSA-N	408.297	4.646	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)S(=O)(=O)CCCCCl)s2)cc1	780800820	UUSXKSVYGVBXQL-HNNXBMFYSA-N	400.997	4.769	50	20	HJGD	
COC[C@H](OC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C)c1nccs1	785542494	DIOLYIXABLMILV-JCAJYURWSA-N	421.522	4.697	50	20	HJGD	
Cc1ccc(F)c(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1Br	787470052	UCDJIOHIHGKCLY-UHFFFAOYSA-N	409.152	4.811	50	20	HJGD	
CCOC(=O)c1csc([C@H]2CCCN2C(=O)CCCC[C@H]2CCSS2)n1	791913913	OWHWNWDCWUAEPU-DZGCQCFKSA-N	414.618	4.697	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)C(=O)Nc1cc(-c2ccccc2)ccc1Cl	792362580	XTEBXVAPIMJXPL-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CCC(F)(F)C1	796830264	QDXGCTGBZWUUKL-MRVPVSSYSA-N	415.352	4.584	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c(-c2ccnn2C)c1	801648601	WOSJHEVZNZCCPK-VBKFSLOCSA-N	421.298	4.704	50	20	HJGD	
O=C(NNc1ncccc1F)c1ccc(Oc2ccc(Br)cc2)c(F)c1	804215650	ZVGDOEQUIPGROW-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C	805375373	KLVBPYOFVQIXMI-UHFFFAOYSA-N	421.379	4.610	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2nccnc2C2CCC2)c(-c2ccccc2Cl)n1	805467292	RSQPIDIQSJECLP-UHFFFAOYSA-N	424.936	4.773	50	20	HJGD	
CN(C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1C[C@@H]2CC[C@H](C1)N2C	806183291	CLNMTLWPWPUROQ-TUURBPCVSA-N	421.916	4.995	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1	817913065	UUUPILADLMIMCS-RVDMUPIBSA-N	405.435	4.878	50	20	HJGD	
COc1cc(C)nc(NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)n1	857459718	QDWQPRLKJMQXRB-UHFFFAOYSA-N	409.298	4.586	50	20	HJGD	
Cc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)c(C)n1-c1ccc(F)c(F)c1F	914786842	QZCMUDSETAUZSX-LFIBNONCSA-N	411.431	4.894	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccco3)cs2)c(C)n1C[C@@H]1CCCO1	916056372	GICAUPIFPRZBJD-LTXFRBGYSA-N	422.510	4.546	50	20	HJGD	
N#C/C(C(=O)Nc1nc(-c2ccccc2Cl)cs1)=C1\COc2ccc(F)cc21	918155703	IVIUERGPKNPDSK-PFONDFGASA-N	411.845	4.911	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OC[C@@H]2CCOC2)c(C)n1-c1cccc2ccccc12	918809327	IIPNZOUHJHAXAM-PPRFWAEMSA-N	400.478	4.734	50	20	HJGD	
COc1ccc(CNc2cccc(S(F)(F)(F)(F)F)c2)cc1OCC(N)=O	1320513708	LTKWUSPLIYQSQY-UHFFFAOYSA-N	412.380	4.829	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CCC1	1791333048	UPAYMLDRXPAUGM-LBPRGKRZSA-N	412.144	4.508	50	20	HJGD	
CCCCC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1	1822001889	HCXCBTDGVYYORL-WBVHZDCISA-N	410.990	4.883	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc2c(c1)OCCO2	6279765	SKRPOZDDSQYEBV-DEDYPNTBSA-N	412.445	4.582	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3ccc(OC)c(O)c3)n2)cc1	212389375	PLIQKHXYZJMNOS-YVLHZVERSA-N	405.479	4.632	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](O)c2ccc(F)cc2)c(C)n1C1CCCCC1	725883538	KXNIWAAESXQIQQ-CEMPLAKHSA-N	409.505	4.506	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1	731495022	MQSAPRDSJQLZAV-WQLSENKSSA-N	414.803	4.516	50	20	HJGD	
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NNc1ncccc1Cl	734245873	BVOOQLHRTRYHMG-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
O=C(CSc1ccccc1Cl)NNc1c(F)cc(F)cc1Br	741979782	IHTGRMIKROVLGV-UHFFFAOYSA-N	407.667	4.616	50	20	HJGD	
CC(C)(C)c1noc(-c2ccccc2C(=O)NNc2cccc(Br)c2)n1	748019993	DIZRIMVYKWBTNS-UHFFFAOYSA-N	415.291	4.554	50	20	HJGD	
O=C(NNc1ncccc1C(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	751393174	QDBSVIZCPZMABU-IUOZQUQDSA-N	407.358	4.692	50	20	HJGD	
N#Cc1ccc(NNC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1Cl	753302498	LAHVNKZNCJYGPF-UHFFFAOYSA-N	415.884	4.626	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3n2)c(C)c1	756280141	MMAQBQZELCVRSL-HNNXBMFYSA-N	408.527	4.900	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(CCC(F)(F)F)cc2)c2ccccc2n1	757609921	BBDDTVNUVJDDLU-UHFFFAOYSA-N	416.403	4.505	50	20	HJGD	
O=C(/C=C\c1ccc(Cl)nc1)NNc1c(Cl)cc(Br)cc1Cl	759182736	MJZNDRBCFBUADO-RQOWECAXSA-N	421.509	4.961	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(Br)c(F)cc1F	760468368	HBRMNSCINCPAHC-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
CC(C)(C)n1cc(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	762670374	UXFBOZYSVQHKBY-UHFFFAOYSA-N	412.384	4.873	50	20	HJGD	
C[C@@H]1CN(CCCNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCO1	763876842	LGMLWHZPFFAIQB-CYBMUJFWSA-N	417.444	4.966	50	20	HJGD	
O=C(/C=C/c1ccc(O)cc1)NNc1c(Cl)cc(Br)cc1Cl	764176855	HVIWWQFEMFZZHH-ZZXKWVIFSA-N	402.075	4.618	50	20	HJGD	
O=C(NN=Cc1ccc(Sc2ccccn2)o1)c1ccc(COc2ccccc2)o1	766430743	IXNVWTPEUROXMO-UHFFFAOYSA-N	419.462	4.762	50	20	HJGD	
Cc1cc(Br)cc(C(=O)NNc2c(F)cc(F)cc2Br)c1	766514187	RARQNUHNIJXBHH-UHFFFAOYSA-N	420.051	4.555	50	20	HJGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNC(=S)Nc2cccc(Cl)c2)C1	766553386	BOYGTXLHRZYRFK-YJBOKZPZSA-N	411.999	4.813	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(Cl)ccc(C(=O)OC)c2C)c1C	767229272	WEKHFGGHKVJKLY-BOPFTXTBSA-N	413.905	4.809	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2ncccc2C(F)(F)F)c1	772916454	IGMLZRUWKVIBAF-UHFFFAOYSA-N	401.388	4.923	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3cc(Cl)ccn3)c3ccccc3n2)cc1	778450173	UREUWBLVODGVLN-UHFFFAOYSA-N	404.857	4.716	50	20	HJGD	
CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	779390658	AVBUADANRHAIKA-MNOVXSKESA-N	424.794	4.683	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1nccnc1Sc1ccccc1	784092500	JJUVAYMDYDJGIZ-UHFFFAOYSA-N	409.273	4.831	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2csc(-c3ccc(Cl)cc3)c2)c1	794275344	OPUORVSBNGCNMC-UHFFFAOYSA-N	411.939	4.681	50	20	HJGD	
C[C@@H](CC(=O)NNc1nccc2sccc12)c1ccc(F)c(Br)c1	812510546	VQAQPGIAGOZAJE-JTQLQIEISA-N	408.296	4.835	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C	813048277	RDCSLCYWBQYRPM-UHFFFAOYSA-N	411.546	4.824	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ccccn3)cc2)c1C	813304298	RVNLPSHZZICVSQ-OVBDPADQSA-N	414.509	4.920	50	20	HJGD	
O=C(NN=Cc1cccc2cccnc12)c1cc(-c2ccncc2)nc2ccccc12	818211279	MUJHUHAVIQXZPW-UHFFFAOYSA-N	403.445	4.609	50	20	HJGD	
Cc1cccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1C	855278835	XTRRBVMFAREEEO-XLKWYTADSA-N	421.541	4.855	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nnc(C3CC3)s2)c(C)n1-c1ccccc1F	862353067	SLFBYSFBTSMPCH-MHWRWJLKSA-N	407.474	4.508	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(F)cc3F)c3ccccc3n2)cc1	876992527	FJZBVGJSVVZMRX-UHFFFAOYSA-N	405.404	4.946	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ncc(Cl)n2C)c(C)n1C1CCCCC1	912617686	JHQIOVUKSUAORA-LICLKQGHSA-N	400.910	4.647	50	20	HJGD	
O=C(NN=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C1CCCC1	914835467	MFZXFBWYULBTPW-UHFFFAOYSA-N	412.493	4.985	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCc2cccc3ccccc23)c1C	915179104	NJWLARKEICYWNP-WWJLXRQJSA-N	415.537	4.731	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1	916224372	KFPIYUDFLCECOV-KRWDZBQOSA-N	417.962	4.819	50	20	HJGD	
CCOC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1	916268013	DRJTXCHMZUEUQJ-UHFFFAOYSA-N	421.291	4.507	50	20	HJGD	
CN(C(=O)COC(=O)CCCC[C@@H]1CCSS1)[C@@H]1CCCc2ccccc21	917231135	XZWSNQDQNRQCLP-IEBWSBKVSA-N	407.601	4.780	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c(C)n1CCC(C)C	917779812	KAQOKZJUERPFGB-HMAPJEAMSA-N	420.557	4.835	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918240249	PMYCNRQTBHFFLS-OHUAYANFSA-N	408.873	4.539	50	20	HJGD	
Cc1nc(O)cc(-c2ccc(NC(=O)NNc3ccc(Cl)cc3Cl)cc2)n1	920836203	CHQYFBXISWIMRC-UHFFFAOYSA-N	404.257	4.613	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2cccc(C(=O)O)c2)c1)C(=O)c1ccccc1F	1116005200	SDEOCSUVQNLCQN-YBFXNURJSA-N	401.393	4.893	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1ccc(Cl)cc1F	1785943408	GJCYMSHRRXLXKB-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCBr)cc3)CCC2)c1	1787674185	SBLSIVCTTVNCLM-UHFFFAOYSA-N	415.331	4.528	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)CCC1	1789718900	PCURQJMBDFTQSL-QGZVFWFLSA-N	420.340	4.890	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccco3)cc2)CCC1	1791913131	WRIXIHWHGKJYPU-DNVCBOLYSA-N	402.922	4.610	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1-c1ccc(C)cc1)C2	1800075562	XDWPLMJJMAUPJA-VLVHOKLOSA-N	424.972	4.931	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)[nH]n1	1815322082	LDYFIEOQNQVEBC-MJGOQNOKSA-N	416.953	4.740	50	20	HJGD	
CC(C)(C)CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Cl)CC2	1825498312	OMHAISFAVNKNKC-LRDDRELGSA-N	417.978	4.586	50	20	HJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC	7158622	MNAAAGFNOVEFJU-MHWRWJLKSA-N	412.873	4.776	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2csc(-c3ccccc3Cl)n2)c(C)c1	727493958	ZCKHPOWCABHUPM-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)C(C#N)=C1Nc2ccccc2N1	728985761	VDUPJLGINKJPDG-LLVKDONJSA-N	423.885	4.712	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)c2csc(-c3csc(C)n3)c2)o1	729145088	IMAPOBRGFQRFHB-UHFFFAOYSA-N	416.572	4.769	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cnc(-c2ccccc2)s1	729276328	CJDCSHIZBIOPII-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
Cc1ccccc1-n1nc(C(=O)NNc2ccnc3cc(Cl)ccc23)c2c1CCC2	729515153	MUHIITVEWQIBFX-UHFFFAOYSA-N	417.900	4.628	50	20	HJGD	
Cc1nc(C)c(CCNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)s1	731020134	KTMWRCJDQDMTDY-XDHOZWIPSA-N	422.529	4.572	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(-c2nnc3n2CCCC3)cc1	731349029	GSSSRQMDFMWYGG-KRWDZBQOSA-N	402.589	4.934	50	20	HJGD	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1c(C)nn(CCCl)c1C	733920263	UVGCVRATDKEVQR-UHFFFAOYSA-N	410.905	4.552	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCOC[C@H]2c2ccc(CC)o2)c1C	736059179	UWCYLGCSCGGULK-FGGAIWKESA-N	409.530	4.568	50	20	HJGD	
COc1cc(C=NNC(=O)c2cc3c(s2)CCCCCC3)c(SC)cc1OC	741162044	RFCGLYSBRIXZSF-UHFFFAOYSA-N	418.584	4.910	50	20	HJGD	
COc1cc(C=NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc(OC)c1OC	741766600	XQFATJYGJQSMSX-UHFFFAOYSA-N	405.454	4.535	50	20	HJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c2n[nH]cc2c1	742133248	PLWYKCVHKUCCAA-UHFFFAOYSA-N	414.090	4.698	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1cc2ccccc2s1	745810544	OJHFKVVPBBBSAH-LLVKDONJSA-N	420.441	4.600	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccn(-c2cccc(C(F)(F)F)c2)n1	747591191	UYUQWYJJAMZPAX-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(OC(F)F)cc2)s1	748005219	SEZPVGKIPLUZFY-UHFFFAOYSA-N	405.382	4.682	50	20	HJGD	
Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NNc1ccc(C#N)cc1	748100828	BBOXXPXKWHHRTE-UHFFFAOYSA-N	421.298	4.812	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)s1	748114972	MDYZZIQKEYGCPH-UHFFFAOYSA-N	416.510	4.678	50	20	HJGD	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NNc1ccc(C#N)cc1	748115094	XDMVMDLYWVCLOK-UHFFFAOYSA-N	412.449	4.652	50	20	HJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1ccc(Br)cc1F	748202534	ZXEBSSVQDUFJKF-UHFFFAOYSA-N	401.663	4.786	50	20	HJGD	
C[C@@H](Nc1ccc(C(=O)NNc2ccccc2Cl)cc1[N+](=O)[O-])c1ccccn1	748307216	VFOZZZRVNWKCDM-CYBMUJFWSA-N	411.849	4.573	50	20	HJGD	
CCc1nc(C(=O)NNc2cc(Cl)ccc2Cl)nn1-c1ccccc1Cl	752810743	UZEIBPDBUGKAGA-UHFFFAOYSA-N	410.692	4.547	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NNc1cccnc1Cl	754478251	VNMYFTGCOKUUAQ-UHFFFAOYSA-N	413.717	4.851	50	20	HJGD	
O=C(NNC(=O)Nc1nc2ccccc2s1)Nc1ccc(-c2ccccc2)cc1	755057817	YEFWNCPRMQVTKM-UHFFFAOYSA-N	403.467	4.822	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)Nc1ccc(OC(F)(F)F)cc1	758503289	BBDPVIQADJJRDE-UHFFFAOYSA-N	409.286	4.675	50	20	HJGD	
COC(=O)c1cccc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762457036	OTPDUYOMHNTQHO-UHFFFAOYSA-N	417.377	4.931	50	20	HJGD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762642200	SJBVJGSEIXPGOW-UHFFFAOYSA-N	410.364	4.608	50	20	HJGD	
C[C@H]1C[C@@H](CCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	762680162	RRVZCDUDJIFMNG-RYUDHWBXSA-N	416.412	4.604	50	20	HJGD	
Cc1cc(-c2noc(CCC(=O)NNc3c(Cl)cccc3Cl)n2)ccc1F	763614258	DAOXELTUGSUPLI-UHFFFAOYSA-N	409.248	4.567	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c(Sc2ccccc2)n1	767880482	JJCWMCLTRWETEI-UHFFFAOYSA-N	414.874	4.860	50	20	HJGD	
N#Cc1ccc(CSc2ccccc2C(=O)NNc2cc(C#N)cc(Cl)n2)cc1	768708421	QFKAENIENOHCTD-UHFFFAOYSA-N	419.897	4.528	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@@H](c1cccc(Cl)c1)C1CCCC1	771563273	VZFZQWYBERUDTR-OAQYLSRUSA-N	422.916	4.764	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2cccc(C(F)(F)F)n2)c1	772917694	VDAZBHHLWIJSBF-UHFFFAOYSA-N	401.388	4.923	50	20	HJGD	
CS(=O)(=O)CCCCCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	775777515	PASAKKGZPNCYBC-UHFFFAOYSA-N	410.430	4.680	50	20	HJGD	
COCCOc1cc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)ccn1	776783155	YBCWCXHUZVVRQM-MRXNPFEDSA-N	420.840	4.578	50	20	HJGD	
CC(C)(C)OC(=O)NCc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)co1	780977279	LASUDIZKGJMNSY-UHFFFAOYSA-N	418.252	4.507	50	20	HJGD	
Cn1c([C@H](NC(=O)[C@H](Br)C(C)(C)C)c2ccccc2)nc2ccccc21	781080117	LUAABSLFNIBWSC-MSOLQXFVSA-N	414.347	4.589	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1Cl	783683870	APJVXYVTBFDICL-SDQBBNPISA-N	406.225	4.764	50	20	HJGD	
N#Cc1ccc(Cl)c(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c1	796315415	LZCBWEMPXSZYPD-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccc3occc3c2)c(C)n1C[C@H]1CCCO1	802852320	UWDLRAUKWNIWOJ-UHSICZIDSA-N	404.466	4.681	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccno2)c(C)n1-c1cccc(C(F)(F)F)c1	906506732	WDELSHSVMRLCFH-SXGWCWSVSA-N	415.371	4.751	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCn2c1nc1ccccc12	915853583	NZYQWQURJGUVSF-DTQAZKPQSA-N	414.852	4.903	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ccccc3)cn2)c1C	918673578	LNZSOCOHWSJBOC-ZMPUUUETSA-N	414.509	4.920	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CCc2ccccc2)C(C)C)c(C)n1C[C@H]1CCCO1	1321589656	JDIIHACIGFYJCU-NPWCAHBGSA-N	419.569	4.671	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccc3nn[nH]c3c2)c(C)n1C1CCCCC1	1343428613	GIRYJGDKFQDHLD-UNOMPAQXSA-N	403.486	4.532	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccc(Cl)cc1F	1788579715	CASMRUQDVMECMH-MRXNPFEDSA-N	413.251	4.761	50	20	HJGD	
Cc1cccc(C)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)CCl)[nH]n1	1821187278	ZYJMUDAAXZTVHX-KRWDZBQOSA-N	416.953	4.597	50	20	HJGD	
Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)CCl)CC2)c(C)c1	1824013265	UFLWBEFXXXSYRG-OAQYLSRUSA-N	419.009	4.802	50	20	HJGD	
O=S(=O)(Nc1ccccc1OCC(F)(F)F)c1ccc(CCCCl)cc1	60353804	NKCKDJHYACUBMI-UHFFFAOYSA-N	407.841	4.600	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc([C@@H](C)O)cc3)c2C)cc1	726193161	JWZIUJDDFCGQIH-DEYGKZMTSA-N	413.521	4.679	50	20	HJGD	
Cc1noc2nc(C3CC3)cc(C(=O)NNc3ccc(Br)cc3Cl)c12	729276787	MBEGEPJFJVMRTB-UHFFFAOYSA-N	421.682	4.581	50	20	HJGD	
CC(C)(C(=O)NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1	731219515	XEXOIFOKINAVKK-QHCPKHFHSA-N	411.505	4.691	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)C(=O)N(C)C1CCCCC1	732716224	LJLQTTLORVKVRB-UYRXBGFRSA-N	410.949	4.900	50	20	HJGD	
CC(C)c1ncc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)s1	746172176	FOJCYAHCSPUWJS-UHFFFAOYSA-N	408.243	4.805	50	20	HJGD	
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NNc3ccc(Cl)cc3Cl)C2)c1	748007856	GXKVQUXPMUWLNP-AWEZNQCLSA-N	421.328	4.689	50	20	HJGD	
Cc1cnc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)s1	750086589	KCHMVUSCBLJKSJ-ZNBBLSJYSA-N	408.502	4.783	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(n3c(C)ccc3C)CC2)c1C	751410432	IHNJWPUYWYJEEU-FVHJOOJJSA-N	422.573	4.501	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(-c3ccccc3)no2)c1C	753041462	HUEYSLRICOMYMV-UOBPLZBXSA-N	404.470	4.776	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(C)CC3CCOCC3)cc2)cc1	757560341	FYUAQAFPAQGXQQ-UHFFFAOYSA-N	410.514	4.587	50	20	HJGD	
CN(C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1Cc2ccccc2C1	762643359	ZXTVQUVQQLNOCJ-UHFFFAOYSA-N	420.403	4.908	50	20	HJGD	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1ncnc2ccsc12	766676419	JNXDVWHAPVHSEZ-SNVBAGLBSA-N	415.931	4.517	50	20	HJGD	
C[C@@H](CBr)COC(=O)COc1ccc(C2SCCCS2)cc1	770332898	NBDPDVZZUQVAAC-LBPRGKRZSA-N	405.379	4.508	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCO2)C(=O)c1ccc(Cl)cc1F	773152356	ZLSXKASGVFRFOG-KMKOMSMNSA-N	408.610	4.760	50	20	HJGD	
CC(C)OCCCN(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773325190	GXMHLJAEBNMLDW-UHFFFAOYSA-N	404.401	4.556	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	773744720	QZKMCZBUXYJDIL-UHFFFAOYSA-N	422.897	4.699	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1cc(F)ccc1OCC(F)(F)F	775474639	SWCXOUNOCWBGBX-UHFFFAOYSA-N	413.158	4.617	50	20	HJGD	
O=S(=O)(Nc1cnc2c(c1)COCC2)c1cccc(S(F)(F)(F)(F)F)c1	777684460	JFNHDPGQCPAIQD-UHFFFAOYSA-N	416.393	4.613	50	20	HJGD	
CC(CCc1n[nH]c2ccccc12)=NNC(=O)c1sc(-c2ccccc2)nc1C	782223345	OPQXWXGJKSMOQX-UHFFFAOYSA-N	403.511	4.733	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1Cl	787146132	VROGYYZDWFRLHW-FBKCMUNRSA-N	415.324	4.773	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)[C@H](C#N)c2cnc3ccccc3n2)c(C)n1CCC(C)C	792101639	BPGHRMXLYAKZRB-GUBQRQEFSA-N	411.509	4.878	50	20	HJGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2c(Cl)cc(Br)cc2Cl)C1	793577341	OUHNPFAOEPNARR-MWLCHTKSSA-N	410.139	4.794	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3nc4ccccc4s3)o2)cc1	797312175	TWMZAFHJGOZTSF-VBKFSLOCSA-N	415.474	4.788	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)Nc1ccccc1	801987379	DTGVDMNUDXWEAP-LJQANCHMSA-N	413.449	4.651	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1	805374655	USEAHUCRXPMEJN-UHFFFAOYSA-N	417.421	4.985	50	20	HJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2nccnc2C2CCC2)cc1OCC	805466010	HDQCXCGDKMCJMZ-UHFFFAOYSA-N	418.925	4.732	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)c1oc2ccccc2c1COc1ccccc1	805466066	JOTOFGNRHXXYOY-UHFFFAOYSA-N	414.465	4.826	50	20	HJGD	
O=S(=O)(Nc1ncc(C(F)(F)F)[nH]1)c1ccc(S(F)(F)(F)(F)F)cc1	811832557	STNUISYWDJAPHX-UHFFFAOYSA-N	417.303	4.887	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)c(F)c1)c1cccc(Br)c1	812548810	RZDJBFXQMXEKMX-VIFPVBQESA-N	416.088	4.598	50	20	HJGD	
Cc1nc(C(C)C)ccc1COC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	815179520	VKFOFAGHNUWXEI-GSFLASDGSA-N	421.541	4.761	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3)co2)c1C	816509310	MBWLEONSDHCGKN-VBNMEBLOSA-N	404.470	4.513	50	20	HJGD	
COc1ccc(NNC(=O)c2cccc(Oc3nccs3)c2)c(C(F)(F)F)c1	816703164	ROVKMDPTFOAGSF-UHFFFAOYSA-N	409.389	4.720	50	20	HJGD	
O=C(NN=Cc1cccc2cccnc12)c1cn(-c2ccccc2)nc1-c1ccccc1	818213924	MWRPJQBRXAQDBK-UHFFFAOYSA-N	417.472	4.851	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)NCCCCc2ccccc2)c(-c2ccccc2)n1	914466628	VRFOUTKNQLWCBW-NKFKGCMQSA-N	423.520	4.510	50	20	HJGD	
Cc1n[nH]c(C)c1/C=C(/C#N)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	915984536	JHVQCFBVJDSCCE-YBEGLDIGSA-N	423.314	4.986	50	20	HJGD	
O=C(NN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1	917547578	WFGBMCAHFVRLOW-UHFFFAOYSA-N	402.454	4.502	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1C	917779806	JQYPOHVWNZMBQT-KGENOOAVSA-N	406.530	4.589	50	20	HJGD	
O=C(NC[C@@H](O)c1ccccc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918160734	QCDDDZQLSAZODG-UKRRQHHQSA-N	404.841	4.761	50	20	HJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(Br)c2c(c1)OCCCO2	921269033	HMMNOJSVDXQVNN-NTUHNPAUSA-N	404.285	4.770	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCn2c(C)nc3ccccc32)c1C	921742304	BRERBMKZDFOLFB-CJLVFECKSA-N	417.557	4.677	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1occc1CSc1ccccc1	1087469862	WVODOXMVGVHUIP-UHFFFAOYSA-N	416.502	4.729	50	20	HJGD	
CN1CCN(c2ccc(/C=C(/C#N)c3nc4cc(Cl)ccc4s3)cc2F)CC1	1115863232	SPSZEPUBULAGLO-GDNBJRDFSA-N	412.921	4.905	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)c2nnc(C34CC5CC(CC(C5)C3)C4)o2)c1C	1323902292	ALSDMRWIMJKYCY-UFFVCSGVSA-N	406.530	4.666	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccccc3F)cc2)CCC1	1787746995	VSLUDLLSIMNFQI-GOSISDBHSA-N	402.897	4.520	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccc4[nH]3)cc2)CCC1	1788915007	LTKDZWDVBILHHQ-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
C[Si](C)(C)OCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3)CCC2)cc1	1789648456	FCJVECVDSBRYCK-XNTDXEJSSA-N	422.601	4.685	50	20	HJGD	
O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[nH]n1)[C@H](F)Cl	1818039250	OKSVWTJLSFVFMO-MBZOWXSBSA-N	424.948	4.543	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C)CCCCC2)n[nH]1	1822328373	PWHVVBHIJVSTNJ-RDJZCZTQSA-N	408.974	4.780	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1	1824609202	JLSGBLNHSKVCPD-PWRODBHTSA-N	422.972	4.724	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2C)CC1	1824609836	HAHXYHWQRLZBOQ-FPOVZHCZSA-N	422.972	4.775	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)CC1	1830003163	CMWMNKHIMSPYAE-YADHBBJMSA-N	419.009	4.944	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2C)CC1	1830309736	JZOAFRQJXNMCAZ-VQTJNVASSA-N	404.982	4.554	50	20	HJGD	
Cc1ccccc1-c1nc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1	727484922	YDURSCSRJGZTQH-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1sc(-c2ccc(Cl)cc2)nc1C	727648842	SSYCUVAEBFANED-UHFFFAOYSA-N	424.913	4.563	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1nc(C2CC2)no1	727943905	UKZFUSVSPMTVNX-GFCCVEGCSA-N	418.712	4.931	50	20	HJGD	
COc1ccc(Br)c(C(=O)NN=Cc2ccc(-c3ccc(F)cc3)o2)c1	728432710	XPIIMMAZOOXOFP-UHFFFAOYSA-N	417.234	4.621	50	20	HJGD	
CC(C)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O	728698336	GYJQYSPAPOXOAP-PDGQHHTCSA-N	409.445	4.778	50	20	HJGD	
Cn1nc(-c2ccccc2)c(C=NNC(=O)CCSc2ccc(F)cc2)c1Cl	734745908	QZZYMVKXUUEAPY-UHFFFAOYSA-N	416.909	4.512	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)Cc3c(C)noc3C)c2C)c1	737664504	FFYXJXCMEJFTAB-NXUSMQHESA-N	416.525	4.662	50	20	HJGD	
N#C/C(=C/c1cnc2ccc(Br)cn12)c1nc2ccccc2n1C(F)F	740765087	PDPULBQYKBPEIF-XFFZJAGNSA-N	414.213	4.906	50	20	HJGD	
CC(=O)Nc1ccccc1CNC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	741643005	DWMKWZHRXWACKX-HMAPJEAMSA-N	418.541	4.792	50	20	HJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)S(=O)(=O)c1ccc(Cl)cc1	745997761	DWKHXPYUDLYIIZ-WJDWOHSUSA-N	414.826	4.847	50	20	HJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cc(Br)c(OC)s2)c1C	746521084	CWNKDXNGJJLGJS-MDWZMJQESA-N	405.317	4.913	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cc3ccccc3o2)c(C)n1C[C@H]1CCCO1	746561235	SJWKHMSAVDMUCL-BYUJNSPJSA-N	417.509	4.596	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2csc(Cc3ccc(F)cc3)n2)cc1C(F)(F)F	746895455	HBTFBJRREGCRBJ-UHFFFAOYSA-N	420.391	4.520	50	20	HJGD	
Cc1nn(-c2ccccc2)c2ncc(C(=O)NNc3ccc(C(F)(F)F)cc3)cc12	747615074	YLSCGGIXGDBDFF-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNC(=O)c1ccc(Cl)cc1F	747643210	BDDCEOUICAHNPL-UHFFFAOYSA-N	405.260	4.699	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1	748339373	SBPYPMFTKACBKA-GOSISDBHSA-N	420.872	4.693	50	20	HJGD	
COc1ccc(C2(C(=O)NNc3ccc(OCC(F)(F)F)cc3)CCCC2)cc1	748702474	FYSYENUSBJRZKT-UHFFFAOYSA-N	408.420	4.591	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1Cl	753316735	QSARJHRFBBAIMK-UHFFFAOYSA-N	424.085	4.866	50	20	HJGD	
Nc1nc(Cl)cc(NNC(=O)c2cc(Cl)ccc2Oc2cccc(Cl)c2)n1	753464996	WUMDFDKSSKOZDH-UHFFFAOYSA-N	424.675	4.568	50	20	HJGD	
O=C(NNc1nc2cc(C(F)(F)F)ccc2s1)Nc1ccc([N+](=O)[O-])cc1F	758370228	IUDVZPWFAUXLKL-UHFFFAOYSA-N	415.328	4.511	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](c2c(C)nn(C)c2C)C(F)(F)F)c1C	760781624	PCAICTRBQLORKU-WSDUQJHMSA-N	422.451	4.619	50	20	HJGD	
CCOC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762660863	FDHNNIWSFCYWJD-GFCCVEGCSA-N	416.412	4.558	50	20	HJGD	
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SC/C=C\C#N)cc1Cl	763300333	KFWFDLGLXLFPFM-BWEKEFTKSA-N	415.927	4.967	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NNc1c(Cl)cccc1Cl	763608987	KZINJMZYSOYJTQ-UHFFFAOYSA-N	409.704	4.957	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(C2CC2)nn1-c1ccccc1	768008343	AIJDVFWWLZMRGT-UHFFFAOYSA-N	405.260	4.953	50	20	HJGD	
Cc1cccc(-c2cncc(C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)c2)c1	769091117	ZDSCIPTUEHUICL-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
CCCN(C(=O)c1ccccc1NC(=O)NNc1ncc(Cl)cc1Cl)C(C)C	775680540	ULXAEBKGIIVPFN-UHFFFAOYSA-N	424.332	4.798	50	20	HJGD	
O=C(NNc1ncncc1Cl)c1cc(F)ccc1Sc1ccc(Cl)cc1	781814955	QXJCKOVXXHGKRH-UHFFFAOYSA-N	409.273	4.831	50	20	HJGD	
CO[C@@H](C)c1nc(COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cs1	782069599	IUQQBBMTURHGMR-YESQQZSKSA-N	401.532	4.575	50	20	HJGD	
C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)S(=O)(=O)CBr	782401794	IWRANVLMZNFKTB-GFCCVEGCSA-N	422.797	4.517	50	20	HJGD	
C[C@H](CCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCCC1	784470235	AXTYADAGEYEMBN-CYBMUJFWSA-N	422.485	4.887	50	20	HJGD	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1Cl	787085544	YMDFBLKBHHDFEV-ZKMNFCBKSA-N	423.900	4.606	50	20	HJGD	
Cc1ccc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)nc1	789866667	HYYPSCROKMSUNN-NDENLUEZSA-N	402.473	4.502	50	20	HJGD	
O=C(NN=Cc1ccc(OC(F)(F)F)cc1)c1ccc(COc2ccccc2)o1	794765260	MTPZYJSFXBXOQK-UHFFFAOYSA-N	404.344	4.521	50	20	HJGD	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)c1ccc2ncccc2c1	794883361	ANOPCLJEQNORJN-VIZOYTHASA-N	407.223	4.516	50	20	HJGD	
Cc1ccc([C@H](NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)C2CC2)cc1	810171404	JDWMFHKCALRBMA-ZINKJAKCSA-N	417.553	4.767	50	20	HJGD	
O=S(=O)(NC[C@@H](CO)C1CCCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	815074923	ITDSBYSKHRBAPB-ZDUSSCGKSA-N	423.469	4.811	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cc(Cl)c(F)cc1Cl	815588454	PCXPTAYLSIOONO-UHFFFAOYSA-N	401.612	4.593	50	20	HJGD	
Cn1c(=O)oc2cc(CNc3ccccc3S[C@H](Cl)C(F)(F)F)ccc21	816525273	MQHAPKMIDHHYNM-HNNXBMFYSA-N	402.825	4.963	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nccn2C(F)F)c(C)n1C1CCCCC1	912621066	KZYDKRVNUVCCAW-BOPFTXTBSA-N	402.445	4.852	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1C	915197501	TUJJNTKGMKCAEE-BWCLHNGZSA-N	416.525	4.969	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc(C(C)=NNC(=O)Cc2ccc3ccccc3c2)cc1	915976183	JNTUALUESMNRRY-UHFFFAOYSA-N	416.525	4.796	50	20	HJGD	
COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1OC(C)C	916335680	PUONJGUFCLOYEV-QGZVFWFLSA-N	406.482	4.553	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2c(C)nn(Cc3ccccc3)c2Cl)n1	920387043	HYWDLZYCYWOFTL-DHDCSXOGSA-N	412.902	4.591	50	20	HJGD	
COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=NNC(=O)C3CC3)ccc2c1	920826500	ORUBCOKWNXKHHH-UHFFFAOYSA-N	410.477	4.561	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)Nc1ncc(-c2ccccc2)s1	920933430	YGNHRLLUVKOBBT-UHFFFAOYSA-N	407.282	4.583	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)CCC1	1788454418	NGEXCXUWPKATGS-LJQANCHMSA-N	424.932	4.670	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1sccc1Cl	1788587685	TXHSJUNDMLELBV-AWEZNQCLSA-N	401.290	4.684	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccn(C(C)C)n3)cc2)CCC1	1790164190	CESJJOKEWLQPCN-GOSISDBHSA-N	416.953	4.619	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@H]3CCCC[C@@H]31)C2	1793680931	PCIFXKSPUYUREO-XLXGLBAESA-N	409.014	4.639	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1	1830307914	LODKXAVONGZHAD-KUOZIZRBSA-N	420.981	4.628	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)c1C	10405847	DHQJOYDPZKUITC-VEJKBTLKSA-N	401.894	4.520	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(C(F)(F)F)cc2)c1C	26569919	SHXCXKSDYULNMP-RPJLVFAOSA-N	419.447	4.555	50	20	HJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3c(C)nn(CC)c3C)n2)cc1	727974508	LOMUUWFTJGOKAY-WOJGMQOQSA-N	405.527	4.751	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCO[C@H](c3ccccc3)C2)c1C	729835456	MSFQQJSEPVPTSD-DFOZZHOTSA-N	405.542	4.802	50	20	HJGD	
O=C(NNc1ncccn1)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	730210250	MBSHTGSJZXKMOY-MRXNPFEDSA-N	405.310	4.760	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1	730586689	AJMISZAUWNKNPT-UHFFFAOYSA-N	416.281	4.531	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cnccc2-n2cccn2)c(C)n1C1CCCCC1	731990289	IYHYWRGXZUEOGV-XSFVSMFZSA-N	414.513	4.737	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2nccs2)c(C)n1-c1ccc(Cl)cc1	733257489	RVUMPURBKSXYLV-AQTBWJFISA-N	424.957	4.860	50	20	HJGD	
CCOC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)C1	733763481	XIPGNKBOTOMTJT-VLDJDNEVSA-N	405.542	4.585	50	20	HJGD	
Cc1ccc(C(=O)NNc2nccc3sccc23)cc1NC(=O)c1ccccc1	734249978	LCQDDZKPIWTCLU-UHFFFAOYSA-N	402.479	4.614	50	20	HJGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(OCC(F)(F)F)cc1	741771031	KFHVTJBGTHUVBB-UHFFFAOYSA-N	417.334	4.775	50	20	HJGD	
Cc1cc(NNC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)nc(C)n1	743461084	BPOKFEHMNIUOGA-UHFFFAOYSA-N	403.269	4.949	50	20	HJGD	
C[C@@H]1CC=CC[C@H]1COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	746463285	PBJUDUTZXOKNAO-BNVXWPFTSA-N	400.482	4.516	50	20	HJGD	
CSCc1c(C(=O)NNc2ccc(F)cc2Br)oc2ccccc12	748077005	VQVWXEGDWKHLTM-UHFFFAOYSA-N	409.280	4.954	50	20	HJGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NNc1ccc(Cl)cc1[N+](=O)[O-]	755182265	FDXRILPTPKAHSA-UHFFFAOYSA-N	422.677	4.723	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NNc1ccc(Cl)cc1Cl	755349161	NPRKPISRGULFKQ-UHFFFAOYSA-N	424.328	4.780	50	20	HJGD	
CCCCc1nc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)c(Cl)[nH]1	755566973	PLYBKLXUJIZFFF-UHFFFAOYSA-N	401.923	4.602	50	20	HJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)c2ccc(Cl)cc2F)cc1	755756887	SDGIPFJEWDXJBD-LJQANCHMSA-N	422.847	4.601	50	20	HJGD	
CC(C)N(CCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(C)C	762642778	VGJKIYXOXBPXSV-UHFFFAOYSA-N	417.444	4.518	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1	766036001	YLAIBZIWZROWNS-SJORKVTESA-N	417.543	4.902	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1	768111608	HYQZHSSZFHUWRT-GOSISDBHSA-N	420.822	4.762	50	20	HJGD	
COc1cc(N[C@H]2CCCN(C(=O)CCCC[C@@H]3CCSS3)C2)cc(OC)c1	769243811	YSWWERKDMYUNDL-OXJNMPFZSA-N	424.632	4.821	50	20	HJGD	
O=C(NNc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F	769943027	LOWUHNHVVFIUDN-UHFFFAOYSA-N	404.348	4.699	50	20	HJGD	
O=C(Cc1cccc(OCc2cccnc2)c1)NNc1cc(C(F)(F)F)ccc1F	770832181	UQHBJYLMARFRMY-UHFFFAOYSA-N	419.378	4.504	50	20	HJGD	
CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773329176	XNIOYKQJFXMQAJ-MRXNPFEDSA-N	418.428	4.586	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(Br)c2ccccc12	773761866	WFJMSWHBQPZRTF-UHFFFAOYSA-N	406.711	4.907	50	20	HJGD	
CC(=O)N(Cc1ccc(NC(=O)NNc2c(Cl)cccc2Cl)cc1)C(C)C	775624552	YHXZJSUUDFUFJS-UHFFFAOYSA-N	409.317	4.899	50	20	HJGD	
O=C(NN=Cc1c(Cl)ccc2cccnc12)c1ccc(F)cc1Br	781123487	XHCBNAMDSGNYQV-UHFFFAOYSA-N	406.642	4.554	50	20	HJGD	
Cc1cccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1Br	782822207	YXPNFMSZZZZRRV-UHFFFAOYSA-N	424.298	4.566	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)cc1	787154014	IIUQKJOOXNCGGG-FMNVXAMXSA-N	407.470	4.742	50	20	HJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	787325271	LFTMIHKBQSYHLV-HNEYUBDGSA-N	407.470	4.748	50	20	HJGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cn1	790100588	OREJZKANUMRLKQ-GRRFOWRYSA-N	403.313	4.629	50	20	HJGD	
Cc1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1I	791712984	AHYVPPJCKGGAPG-UHFFFAOYSA-N	421.065	4.663	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	795020206	AULRRLIUGDTJJK-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
COc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	797398768	QPYMIBXLJKLROF-GXDHUFHOSA-N	402.841	4.805	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNC(=O)Nc2ccccc2C)n1	798309965	HIDONUPPYHYUEJ-UHFFFAOYSA-N	412.540	4.519	50	20	HJGD	
COCc1nc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c(-c2ccccc2)s1	799704985	CXVKSPMKHUEVSD-UHFFFAOYSA-N	423.416	4.612	50	20	HJGD	
O=C(NNC(=O)c1ccc(-c2ccccc2)nc1O)Nc1ccc(-c2ccccc2)cc1	802039277	AZKYLEPBIPNMNE-UHFFFAOYSA-N	424.460	4.588	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccccc1CS(=O)(=O)c1ccccc1	812768982	PBWXXLCDXCKMJE-UHFFFAOYSA-N	422.550	4.849	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@@H](n2cccn2)C1	812917548	BGSIXKSVTKDEIW-RISCZKNCSA-N	404.845	4.581	50	20	HJGD	
COc1c(Cl)cc(NC(=O)C(=O)NNc2c(C)cccc2C(C)C)cc1Cl	813049380	GCTKTGLVBBJOLD-UHFFFAOYSA-N	410.301	4.516	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(CO)c3)c2C)cc1	900293634	NUOIVJAWSPKFOB-KGENOOAVSA-N	415.493	4.531	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C=O)s3)CCC2)cc1	1786443793	IXWBIUQCRZAEQY-KRWDZBQOSA-N	418.946	4.716	50	20	HJGD	
Cc1csc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Br)CCC3)cc2)c1	1786487930	OOSATUBSGKAGAO-ZDUSSCGKSA-N	421.360	4.588	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@]3(F)CCCCC3(F)F)CCC2)cc1)[C@H](F)Cl	1788584694	HSLAAAYSEKNHTP-KSSFIOAISA-N	420.834	4.573	50	20	HJGD	
Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)[C@@H](F)Cl)cc4)CCC3)ccc2[nH]1	1788588687	GONRXAIIDPFHKM-LJQANCHMSA-N	413.880	4.758	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1cc2sccc2[nH]1	1789371199	QHUSYLGPCRIMST-UHFFFAOYSA-N	422.337	4.781	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C)c2Cl)[nH]n1	1820859673	FXNZOTALNKYYQS-HOCLYGCPSA-N	423.344	4.695	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1	1830027497	LOCZWPFPCPAMQL-RBUKOAKNSA-N	411.373	4.591	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(Cl)Cl)CC2)CC1	1831880647	HPAZGFFZPMFVDX-SZMVWBNQSA-N	417.421	4.626	50	20	HJGD	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2	6284288	IBUQWNOGJUGXFH-XSFVSMFZSA-N	412.445	4.582	50	20	HJGD	
O=C(COC(=O)CCCC[C@@H]1CCSS1)Nc1ccc(Br)cc1	11385564	YIVLIAILPLEDRI-CQSZACIVSA-N	418.378	4.645	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)NCc1cc(Cl)c2c(c1)OCCCO2	24323110	WCHGBFHMNOYSGC-AWEZNQCLSA-N	401.981	4.832	50	20	HJGD	
CCOc1cc(C(=O)NN=C(C)c2ccc(Cl)s2)cc(OCC)c1OCC	254589276	LLTQBHSQEZJMGY-UHFFFAOYSA-N	410.923	4.752	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ncc(-c3ccccc3)[nH]2)c(C)n1CCC(C)C	725891503	FSRMWLLXGFWIKU-XKZIYDEJSA-N	415.541	4.765	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	727741244	KXBXLNIXCXVHOL-OALUTQOASA-N	419.550	4.516	50	20	HJGD	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3cc(-c4ccccc4)on3)sc2c1	729305776	PHORSAAXFDXDDM-UHFFFAOYSA-N	411.870	4.593	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)c1	730292236	XUWKRVYANFOAAH-UHFFFAOYSA-N	423.900	4.759	50	20	HJGD	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COCC)cc1	731154040	QEIYEBLBZIPUSH-UHFFFAOYSA-N	422.554	4.528	50	20	HJGD	
CCC(CC)(NC(=O)NNC(=O)c1ccccc1OC)c1ccc(Cl)c(Cl)c1	731499597	WVZYZPNTPDPJHB-UHFFFAOYSA-N	424.328	4.662	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3cnn(C(C)C)c3)c2C)cc1	732747519	CLIOFIVEASIKOH-ZIHVZMLCSA-N	415.541	4.964	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2cc(C(F)(F)F)ccc2F)cc1OC	733200881	DSQUUDMFQBBHHL-UHFFFAOYSA-N	412.383	4.796	50	20	HJGD	
N#Cc1ccccc1OCc1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1	734176595	HXUOHICTLKGZAN-UHFFFAOYSA-N	411.383	4.913	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cs1)C1CC1	734304422	JFKKKLWURRDIJG-LZYBPNLTSA-N	417.519	4.718	50	20	HJGD	
COc1ccc(NC(=O)NNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1	741855014	YWOOHFABQXKOIF-UHFFFAOYSA-N	408.483	4.511	50	20	HJGD	
Cc1nc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)sc1C	743783435	ONZQECKVZXRFIZ-VCHYOVAHSA-N	408.502	4.530	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)cc(C#N)n1C	745135795	ICQFSYCXIQJRDW-NLUYLNEESA-N	416.525	4.846	50	20	HJGD	
N#Cc1ccc(C(=O)NN=Cc2sc(Nc3ccccc3Cl)nc2Cl)cc1	747050471	DQWYRVIZVLWQJD-UHFFFAOYSA-N	416.293	4.829	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)ccc1O[C@H](C)C(=O)N(C)C	747440734	UEEWFPBQFDLCEV-DISPHTKASA-N	413.543	4.585	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3ccc(Cl)cc3Cl)c3c2CCC3)cc1	748012698	PMKHOVRHBLJFQD-UHFFFAOYSA-N	401.297	4.733	50	20	HJGD	
O=C(NNc1ccccc1F)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1	748056789	YOTYCPQBNHUYBG-UHFFFAOYSA-N	414.824	4.756	50	20	HJGD	
O=C(NNc1ccccc1Br)c1ccc(NC(=O)c2cccs2)cc1	748059333	MJTWRXHDSPKQGD-UHFFFAOYSA-N	416.300	4.520	50	20	HJGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(Br)cc2Cl)c1C(C)C	753656144	LUMBCCASLFHVSQ-UHFFFAOYSA-N	412.715	4.822	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1ccccc1-c1cccs1	755583809	YDJVUDKOEVETQI-UHFFFAOYSA-N	404.451	4.537	50	20	HJGD	
CN(C(=O)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1	757140589	ALUJUQYJVULOSQ-UHFFFAOYSA-N	413.399	4.739	50	20	HJGD	
Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@H](Br)C(C)(C)C)C3)cs1	768384931	GIHGUXZBEFWZTF-OAHLLOKOSA-N	413.406	4.874	50	20	HJGD	
CC(=O)N1CCc2c(NC(=O)/C(C#N)=C/c3cc(C)n(CCC(C)C)c3C)cccc21	769502734	KYJLAYGZPNGXFV-KGENOOAVSA-N	418.541	4.606	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1ccn(-c2ccc(Cl)cc2Cl)n1	772918434	YDMSYBFQQSBMNW-UHFFFAOYSA-N	404.282	4.546	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@@H](CCO)c1ccccc1	773368541	SWUDJZNFUFALOT-HNNXBMFYSA-N	424.391	4.522	50	20	HJGD	
COC(=O)c1c(F)cccc1NNC(=O)c1csc(-c2ccc(C(C)C)cc2)n1	773640219	AKDWBISBNYPYRS-UHFFFAOYSA-N	413.474	4.616	50	20	HJGD	
CC(C)Cc1nnc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)o1	775113256	VSQWVKKFNLBJFD-UHFFFAOYSA-N	407.386	4.726	50	20	HJGD	
O=C(NNc1ncc(F)cn1)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1	775636617	UVEWFBFFCJEEGK-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(-c2nnc(COC)o2)c1	776300315	WXZXALSERUSENY-UHFFFAOYSA-N	422.510	4.833	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OCC2CCCC2)c(-c2ccc(Cl)cc2)n1	781870059	URVHJIOQRGKDNZ-PDGQHHTCSA-N	408.889	4.758	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(CC#N)CC2)c(C)n1-c1ccc(Cl)cc1	782055827	NOUYLJUFQCJBEU-ZHZULCJRSA-N	406.917	4.807	50	20	HJGD	
O=C(Nc1cc(Cl)ccc1Cl)C(=O)NN(c1ccccc1)c1ccccc1	782820213	AFHLHBAICNIFRU-UHFFFAOYSA-N	400.265	4.801	50	20	HJGD	
C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978752	DKABOHZNEQEAKY-LLVKDONJSA-N	402.410	4.911	50	20	HJGD	
CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C12CCC2	782979620	IYRFQSYXBCVUKX-KGLIPLIRSA-N	421.453	4.970	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)O[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1	785352029	SHYLTJPUFAZRCC-CIPTZOQDSA-N	407.429	4.976	50	20	HJGD	
N#Cc1ccc(OCc2ccc(C(=O)NNc3cc(Cl)cc(Cl)c3)o2)cc1	791732198	WTNQXPXWMAOKOM-UHFFFAOYSA-N	402.237	4.794	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	803537189	VUGBRNBUDCPYJQ-IRLDBZIGSA-N	404.645	4.825	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)[C@@H]2OCCc3sccc32)c(C)n1CC(C)C	816722597	BIPGUEJFPPFPNN-JZZDLYPASA-N	411.571	4.548	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c1C	915632657	LLGGRAXTSCUYLF-GGJQROPYSA-N	423.557	4.884	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1	915982598	NQBNAFGQESZPHL-QLENYVDCSA-N	410.399	4.675	50	20	HJGD	
COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1	916141824	UTKMHTHRSPCIFU-WDZFZDKYSA-N	407.253	4.565	50	20	HJGD	
CCCCCCCOc1ccc(C(C)=NNC(=O)c2nnc(O)c3ccccc23)cc1	916320464	VYBTWNYUCYWFSR-UHFFFAOYSA-N	420.513	4.839	50	20	HJGD	
CCCOc1c(Cl)cc(C=NNC(=O)Cc2c[nH]c3ccccc23)cc1OCC	916337636	DHQFMOJACLOOBR-UHFFFAOYSA-N	413.905	4.702	50	20	HJGD	
CCCCCCNC(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2ccc(C)cc2)n1	917560444	YRESVOAGXXPVDH-QGOAFFKASA-N	410.543	4.740	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c3nc(C4CC4)no3)c2C)cc1	918955203	RMZSBMVONHOCJH-SYERDGIWSA-N	416.481	4.874	50	20	HJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cc4c(cc3Br)OCO4)c[nH]c2c1	920068223	LXPCIDAUDYDVON-ACAGNQJTSA-N	409.239	4.757	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1C	921169530	VNPIJVNTABTOTQ-UOIFGXKSSA-N	424.976	4.718	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccccc1OC(F)(F)F)c1nc(C(C)(C)C)cs1	1116679319	SMJXRYOKCARDNR-SNVBAGLBSA-N	402.442	4.727	50	20	HJGD	
COc1cc(/C(C#N)=C/c2ccc(OC(F)F)cc2OC(F)F)ccc1[N+](=O)[O-]	1319799606	XEPXGZHUWZWEDO-WUXMJOGZSA-N	412.295	4.870	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccccc3)CCC2)cc1)C(Cl)Cl	1791607172	KRGKOYXREBCNPV-ROUUACIJSA-N	417.336	4.728	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cs1	7156256	WKWRADUTMYJACF-RVDMUPIBSA-N	406.442	4.512	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	212380768	WUJHEVFVTRRFRQ-RGEXLXHISA-N	405.498	4.588	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H](CC1CCCCC1)c1ccccc1	726279696	IFESGHWOJKFLOZ-QFIPXVFZSA-N	404.514	4.824	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(Cl)ccc2Cl)c1C	726388825	IXVRUKSGDUBBRJ-MJOIQJIUSA-N	422.312	4.665	50	20	HJGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1	726435118	LMGWDQSMBUHVNE-UHFFFAOYSA-N	422.513	4.515	50	20	HJGD	
C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727791635	NNVNGHDOHMLRCA-QMMMGPOBSA-N	422.095	4.529	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1c(Cl)cccc1Cl	728176633	XFPSEVUWOYTXTC-MDWZMJQESA-N	401.228	4.864	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1csc(-c2cccc(Cl)c2)n1	732266503	DRIUMAHPCUKIKO-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
N#C/C(=C\c1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)Nc1ccccc1F	732713931	OCGSQWZSKFPFQN-UKTHLTGXSA-N	411.234	4.524	50	20	HJGD	
O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1ccc(Br)nc1	732836784	OMAHXYDTTKTIHU-UHFFFAOYSA-N	403.107	4.617	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1csc(-c2cc(Br)cs2)n1	733363278	UHKAQMOZBNYSBN-UHFFFAOYSA-N	416.272	4.669	50	20	HJGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(CSc2ccc(Cl)cc2)cc1	735688925	GUEKBHSLJUBJDE-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
COc1ccc2oc(C(=O)NNc3c(F)cc(F)cc3Br)c(C)c2c1	741979974	OUJVXNFRZANSIX-UHFFFAOYSA-N	411.202	4.547	50	20	HJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1cc([N+](=O)[O-])ccc1F	742005892	KGVQSLIJJROESX-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(Cc3ccccc3)no2)c1C	744560127	YCGIQJGTLGQXRY-SXZORUHJSA-N	418.497	4.700	50	20	HJGD	
COc1ccc(NNC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1	746881842	COSMFENTUPXSDU-UHFFFAOYSA-N	407.417	4.523	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(Oc2ccccc2Cl)nc1	748644909	ZCTKUGMQZRJIAV-UHFFFAOYSA-N	405.788	4.886	50	20	HJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1CC(C)(C)O	752983580	PSHJVALLOTUYIR-LBPRGKRZSA-N	417.444	4.653	50	20	HJGD	
O=C(NN=C1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cc2ccccc2cc1O	753693072	OGRCYFTYPUTHBQ-KRWDZBQOSA-N	403.438	4.582	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2ccc(F)c3cccnc23)cc1	759117778	YVOWORZDKDNJTL-AQTBWJFISA-N	411.440	4.722	50	20	HJGD	
N#C/C(=C\c1cccc(Cl)c1F)c1nc(O)c2cc(Br)ccc2n1	759641706	DTLOBGZHOQCBNN-UXBLZVDNSA-N	404.626	4.955	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2O[C@H]2CCOC2)c1C	760154135	KXSYKWHFEXJKPY-URBQWANRSA-N	407.514	4.618	50	20	HJGD	
O=C(Nc1ccsc1C(=O)NNc1ccccc1)c1ccc(Br)cc1	764269073	TVDDGGIMPGHKHG-UHFFFAOYSA-N	416.300	4.520	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1ncnc2ccsc12	766678860	SAYBKULELRHZRT-UHFFFAOYSA-N	401.904	4.534	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNc3c(Cl)cc(F)cc3Cl)cs2)o1	767407638	VYOGQVBGHWNXSK-UHFFFAOYSA-N	400.262	4.843	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3ccc(Cl)cc3Cl)s2)cc1OC	768093264	IKFUTOPDMNBUMG-UHFFFAOYSA-N	424.309	4.891	50	20	HJGD	
CCc1c(C(=O)NNc2c(Cl)cc(F)cc2Cl)cnn1-c1ccc(OC)cc1	770009897	KZRUNGHXKIQYIM-UHFFFAOYSA-N	423.275	4.646	50	20	HJGD	
Cc1nc(NC(=O)NN(Cc2ccccc2)c2ccccc2)ccc1Br	775782321	DWOFYLVGUOTNBT-UHFFFAOYSA-N	411.303	4.896	50	20	HJGD	
CCOc1cc(C(=O)NN=C2CCC[C@H](C(F)(F)F)C2)cc(OCC)c1OCC	783507079	AEAIGBQOQYPXHH-AWEZNQCLSA-N	416.440	4.721	50	20	HJGD	
CCOc1ccc(C(C)(C)C(=O)NNc2ccc(Br)cc2)cc1OCC	783590340	SGEARLHFONWJKP-UHFFFAOYSA-N	421.335	4.667	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1	786991946	AASNSDZKQMPITM-SFQUDFHCSA-N	407.445	4.596	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc(F)c3[N+](=O)[O-])c3ccccc3n2)o1	791075669	GUNRLJTZLIJJCV-UHFFFAOYSA-N	406.373	4.607	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(NC(=O)c2ccccc2)cn1	794207891	XPBWTZAUYQGFLD-QGZVFWFLSA-N	401.557	4.987	50	20	HJGD	
FC(F)(F)c1ccn(C2CCN(Cc3ccc(OCCCCl)cc3)CC2)n1	798188003	VYVUMAQKVNSELJ-UHFFFAOYSA-N	401.860	4.747	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@H]2c2cccs2)c1C	809290640	WVBYBQRUGFFSJX-PTAZCNPUSA-N	411.571	4.891	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1F	817013793	DIJRUIKEKDCRGM-UHFFFAOYSA-N	402.216	4.898	50	20	HJGD	
CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	852997505	FRVNDTWRYLNURJ-KNNPWPDUSA-N	413.562	4.754	50	20	HJGD	
O=C(NN=Cc1csnn1)c1ccc(COc2ccccc2-c2ccccc2)cc1	915937847	NTEOWFBXWIGCFW-UHFFFAOYSA-N	414.490	4.548	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)Nc2ccc3ccccc3c2)c1	915995649	IWQBZEHAGMEXDN-UHFFFAOYSA-N	407.539	4.668	50	20	HJGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(-c2ccncc2)cs1	916132570	IHQBYVXVAWETSI-ZROIWOOFSA-N	400.385	4.770	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(-n3cnc4ccccc43)cc2)n1	920386894	GNGMEUPIGNKNDM-WJDWOHSUSA-N	400.463	4.723	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	921261501	GFNMRPAESJOCOT-LFIBNONCSA-N	417.259	4.837	50	20	HJGD	
C[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1)c1ccccc1	1788587791	NKGMEQFHQNLUEK-MGPUTAFESA-N	402.897	4.849	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)CN(CC)CC)cc2)CCC1	1791060598	AFTFEUHYYVZKND-FXAWDEMLSA-N	422.013	4.506	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C(C)C)CCC2)[nH]n1	1815323855	DHKQOTJPDGFRMK-WBVHZDCISA-N	408.974	4.636	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1	1820857469	XJOPJTFMMQUBDZ-TZMCWYRMSA-N	420.922	4.541	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C)CC1	1829940673	RKTBSENPDQRJDP-RTWAWAEBSA-N	404.982	4.636	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc2cc(F)ccc2s1	17202120	ABOPGDBZEWDQHE-UHFFFAOYSA-N	420.465	4.547	50	20	HJGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)s1	26153445	CIERSUBLWVQLCY-NTCAYCPXSA-N	419.344	4.627	50	20	HJGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)cc1	729972381	YTMDLYVEQXIBEG-HXUWFJFHSA-N	421.909	4.506	50	20	HJGD	
Cc1noc(C)c1CCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	730664932	QVKUIEYNOHXIFK-CQSZACIVSA-N	407.845	4.875	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ncc(-c3cccc(Br)c3)[nH]2)cc1	731937736	LJRMRIBSTVCKRZ-LFIBNONCSA-N	421.298	4.947	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H](CO)c1ccc(F)cc1	734927363	LGZOQPJBVQUMRR-ZFWWWQNUSA-N	422.831	4.900	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1	737803727	WYZYBRWSEGUCQY-SNVBAGLBSA-N	401.772	4.904	50	20	HJGD	
Cc1ccc(OCc2nc(C=NNC(=O)c3ccc(Cl)cc3F)cs2)cc1	747643236	CIZNGYVLCJSJQJ-UHFFFAOYSA-N	403.866	4.587	50	20	HJGD	
Cc1ccc(-c2cncc(C(=O)NNc3ccc(Br)cc3F)c2)cc1	748173956	PNBAKVFATJTNBP-UHFFFAOYSA-N	400.251	4.716	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)C1(c2ccc(Br)cc2)CCC1	748644003	XSDCGQXUPRZWJZ-UHFFFAOYSA-N	411.246	4.616	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCNC(=O)c1ccc(F)cc1	748666573	ANCNCCSZVIGQSZ-UHFFFAOYSA-N	413.518	4.672	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCN(Cc1ccccc1)C(C)=O	748674176	PGKFEFKUUWQFHR-UHFFFAOYSA-N	409.555	4.762	50	20	HJGD	
COc1cccc(C[C@@]2(C(=O)NNc3cccc4cnccc34)C[C@H]3CC[C@H]2C3)c1	748758833	HOOYUAFBMKGVSB-JVFUWBCBSA-N	401.510	4.736	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NNc1cc(C(F)(F)F)ccc1F	754149893	NRHYTQMTZDQDSX-UHFFFAOYSA-N	412.774	4.749	50	20	HJGD	
Cc1cccc2[nH]c(COC(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)cc12	754705777	XVTHOSIXYRJDFN-IYMWYRQMSA-N	417.509	4.724	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cn(-c2ccc(F)cc2Cl)nn1	755572701	OYDXGADFWIARAF-MDWZMJQESA-N	405.820	4.639	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)C(=O)Nc1ccccc1C(F)(F)F	755698506	HLOJBDIZRBGCGI-FMIVXFBMSA-N	400.335	4.780	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1nc(C(F)(F)F)cs1	755855896	HSLBEFHGSXWPJL-UHFFFAOYSA-N	420.775	4.675	50	20	HJGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1	756681993	LMNMVJDFJLJKHQ-UHFFFAOYSA-N	421.297	4.603	50	20	HJGD	
CC(C)OCCCN(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762665483	KFLGQVYSAXGZFB-UHFFFAOYSA-N	404.401	4.556	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1sccc1Br	764896486	PQLWMSIFGCAYHQ-UHFFFAOYSA-N	406.330	4.706	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(F)c1	766259670	DENBDIIISWGGOI-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
Cc1ccnc(Oc2ccc(NC(=O)NNc3ccccc3C(F)(F)F)cc2)n1	770060294	GWRFLUXPYJECOQ-UHFFFAOYSA-N	403.364	4.745	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1cc(C2CC2)nc2ccc(Cl)cc12	771540366	JIBIWQYZRMLVBZ-UHFFFAOYSA-N	417.694	4.680	50	20	HJGD	
N#C/C(=C/c1cnc2ccc(Br)cn12)C(=O)c1ccc(Cl)cc1F	773161580	GQZIOPSMZGKDNU-YHYXMXQVSA-N	404.626	4.679	50	20	HJGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	774343781	ZZQIKMUJVZWDGW-TZMCWYRMSA-N	407.426	4.831	50	20	HJGD	
CCCN(CCC)C(=O)c1ccc(NC(=O)NNc2ncc(Cl)cc2Cl)cc1	775524851	SVHSUUOFVGFIFY-UHFFFAOYSA-N	424.332	4.799	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](CCO)c2ccccc2)c(C)n1C1CCCCC1	776490633	XFAVLZYXVKVCPN-FVIVVMBBSA-N	405.542	4.757	50	20	HJGD	
Nc1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1[N+](=O)[O-]	777597966	HKHRMXKWRQDAFO-UHFFFAOYSA-N	419.353	4.635	50	20	HJGD	
CC(C)(Sc1ccc(Br)cc1)C(=O)NNc1cc(Cl)ccn1	778449460	PTCIXUOTHWEJLN-UHFFFAOYSA-N	400.729	4.512	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1	787141752	POUBROXFTNMBRM-IUYQLWOBSA-N	414.259	4.532	50	20	HJGD	
Cn1nc(C(F)F)c2cc(C(=O)NNc3c(Cl)cc(F)cc3Cl)sc21	791686315	JRICTGAOMCKYTQ-UHFFFAOYSA-N	409.220	4.775	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H]2CC(C)(C)Oc3ccccc32)c1C	799438347	KYNNMNQHQRPZRR-DUBROFONSA-N	408.498	4.504	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(C)(C)c1csc(-c2cccs2)n1	799927112	QJAHCNOVLLPDGV-UHFFFAOYSA-N	404.469	4.672	50	20	HJGD	
O=C(NNc1ncccc1F)c1cn(CCOc2ccccc2Cl)c2ccccc12	804220066	WSDVUIBKYGRSAF-UHFFFAOYSA-N	424.863	4.665	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@H](c1cccc(Cl)c1)C1CCCC1	806997857	APEMEWQVAKLYIR-FQEVSTJZSA-N	410.905	4.739	50	20	HJGD	
N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(OCCBr)c(Cl)c1)C2	811697334	ZSKWSECLMFPSIU-CHHVJCJISA-N	402.675	4.808	50	20	HJGD	
CCc1sc(C(=O)NNc2ccc(Br)c(F)c2)cc1Br	816164536	ZYVOHARHECYFBS-UHFFFAOYSA-N	422.117	4.732	50	20	HJGD	
CCOc1ccc(NNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1	817911413	QNYZFRFWIWHVGT-UHFFFAOYSA-N	409.433	4.790	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1	817915393	LEJRTUWISYZPQD-UHFFFAOYSA-N	412.493	4.754	50	20	HJGD	
N#Cc1ccc2c(c1)N(C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CC2	821572352	AWYREEHHZQTNKA-UHFFFAOYSA-N	417.359	4.743	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc1	849209391	YEGYNHWJBZETRD-JJIBRWJFSA-N	424.500	4.693	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	916336601	JSVKBBQMZGAOCS-LJQANCHMSA-N	412.493	4.560	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1csc(Cc2ccc(Cl)cc2)n1	1116343295	BKFLWQJNQVWNLZ-UHFFFAOYSA-N	423.281	4.706	50	20	HJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Oc2ccc(Cl)cn2)cc1	1320012745	VWQXUYOWGMJNQS-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3F)cc2)CCC1	1790221143	WOHWBMVAQAFBTR-KRWDZBQOSA-N	406.860	4.730	50	20	HJGD	
CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)[C@@H](F)Cl)CC2)C1)c1ccccc1	1809158850	WJQXYYSGDODVPQ-DFQSSKMNSA-N	422.972	4.582	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cc3cc(OC)ccc3nc2C)cc1	26773031	ZVWSMHZTNDOVHD-UHFFFAOYSA-N	422.554	4.526	50	20	HJGD	
COc1cc(-c2cc(C(=O)NN=C3CCCC3)c3ccccc3n2)cc(OC)c1OC	36270029	GUULCVLWAYMMQD-UHFFFAOYSA-N	419.481	4.587	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCN(C(C)(C)C)CC2)c(C)n1C1CCCCC1	261376228	BQDHPELVOOKZMG-PGMHBOJBSA-N	410.606	4.896	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CCCC[C@@H]2CCSS2)cc1	727497112	HJBHLUOLUSFNNM-MRXNPFEDSA-N	413.634	4.506	50	20	HJGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCCCC1)c1c(Cl)cccc1Cl	727791794	WSVUNZLBTYICHR-UHFFFAOYSA-N	409.288	4.796	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(SCc2ccccc2)cc1	728079926	OWOIPJNHOMEXGY-UHFFFAOYSA-N	402.479	4.786	50	20	HJGD	
CC(C)Sc1ccc([C@@H](C)NC(=O)NNC(=O)NCc2ccc(Cl)cc2)cc1	732995420	LTLFWIFMLKEPTA-CQSZACIVSA-N	420.966	4.615	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1	733083599	NAEGXGYHOKFPLA-GDNBJRDFSA-N	420.450	4.663	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1C	736528253	SBWCNBKXAZRPHD-FEAMCELASA-N	423.532	4.763	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)nc(C)n1	736716736	KDNYYHOMTBATEM-UHFFFAOYSA-N	421.551	4.752	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(Oc2ccccc2Cl)nc1	746691216	CJKMJQLIOTWLLT-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
N#Cc1ccc(NNC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1	747831214	OUWKSBGHADGJKE-UHFFFAOYSA-N	403.389	4.849	50	20	HJGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3ccccc3C(F)(F)F)c2c1	751583857	FFFFABDBKFBQEB-UHFFFAOYSA-N	401.388	4.897	50	20	HJGD	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1cccnc1Cl	754485202	OCRMUEWNDMKCOG-NSHDSACASA-N	423.325	4.808	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNc1ccc(C(F)(F)F)nn1)oc1ccccc12	754779184	PNWZOIRAAFCKHU-UHFFFAOYSA-N	417.347	4.552	50	20	HJGD	
COc1cc(C(=O)NNC(=O)Nc2cccc(C(F)F)c2)ccc1OCCC(C)C	756299340	BUQLCTCDFWTJPZ-UHFFFAOYSA-N	421.444	4.524	50	20	HJGD	
CSCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	759352194	OJKNURUJODBIHJ-OCBOALCKSA-N	409.555	4.693	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(NC(=O)c2cccs2)cc1	761591233	JEGZZCJWXSBSNE-UHFFFAOYSA-N	421.400	4.656	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1c[nH]c2ccc(Br)cc12	761591373	WXXDWBJBDQPOBJ-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(-c2ccccc2)nn1)c1cccc(C(=O)c2ccccc2)c1	762259864	CYFAMWNWYZNDOU-SFHVURJKSA-N	422.488	4.621	50	20	HJGD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)CCC2	765934462	XOBUFDBVWXGTSX-AWEZNQCLSA-N	400.285	4.614	50	20	HJGD	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NNc2ccccc2C(F)(F)F)c1	770031587	DZDNOVIJXNLJSM-MUUNZHRXSA-N	413.465	4.901	50	20	HJGD	
Cc1c(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cnn1C(C)C	770759812	HUZGLDMNABHMNB-UHFFFAOYSA-N	406.111	4.599	50	20	HJGD	
CSc1cc(C(=O)NNc2ccnc(Br)c2)c(Cl)cc1Cl	771561390	NIUQWMYGPYIPQF-UHFFFAOYSA-N	407.120	4.630	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cnn(-c2ccc(Cl)cc2Cl)c1	775271470	MZNWMHGFZCFANV-UHFFFAOYSA-N	417.083	4.638	50	20	HJGD	
C[C@@H](O)c1ccc(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc1	777960378	FGGIQRQHLKOUJD-LLVKDONJSA-N	417.421	4.876	50	20	HJGD	
COc1cccc(C(=O)c2ccc(C(=O)NNc3cccc(C(F)(F)F)c3)cc2)c1	780948175	HUZQBJSXGZVZIG-UHFFFAOYSA-N	414.383	4.702	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc3cccc(C)c3nc2Cl)cc1	787155541	SJLJELREQUDVKJ-VUFYJBQKSA-N	405.885	4.990	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1	787540911	NKUUIIOVXRXHPU-JVCXIRSZSA-N	412.873	4.539	50	20	HJGD	
Cc1nc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)sc1Cc1c(F)cccc1F	787587798	UWSCMJCECUNTLH-NTEUORMPSA-N	411.433	4.572	50	20	HJGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(Cl)cc1-c1cccc(Cl)c1	788696107	OATYFODQJSGPIV-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
N#C/C(=C/c1cnc(-c2ccc(Cl)cc2)s1)C(=O)NCc1ccc(F)c(F)c1	789148051	MWZIKWYSPUUBCU-ZSOIEALJSA-N	415.852	4.965	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(F)cc1Br)c1ccc(C(F)(F)F)cc1	798981334	HKNQRSBSEIIWLB-VIFPVBQESA-N	405.189	4.854	50	20	HJGD	
COCc1nc(C(=O)NNc2ccnc3cc(Cl)ccc23)c(-c2ccccc2)s1	799833013	SSVFMRBVYLREFF-UHFFFAOYSA-N	424.913	4.915	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3ccccc3)C2)c(C)n1C[C@@H]1CCCO1	817105663	BEEQMOSSLSDZIL-BDROHPOTSA-N	417.553	4.597	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc3ccccc23)c1C	914478326	HPKKUIZMISCOPH-XNQWGTPPSA-N	401.510	4.689	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nnc(C(C)(C)C)o2)c(C)n1-c1ccc(F)cc1	914893019	KVVWVKJCJDIPDO-BOPFTXTBSA-N	422.460	4.564	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)c(OCc3ccccn3)c(C)c2)c1	915043865	BRFFTPNPFIVZGB-MOSHPQCFSA-N	413.477	4.832	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)OC(C)C)ccc1OCCOc1ccccc1Cl	915853941	XNZMTRHVADOJNY-SFQUDFHCSA-N	415.873	4.665	50	20	HJGD	
COc1ccc(-c2nc(C=NNC(=O)Cc3ccc4ccccc4c3)cs2)cc1	915976001	HBXLPOSEZMEODW-UHFFFAOYSA-N	401.491	4.665	50	20	HJGD	
Cc1nc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)sc1SCC#N	916088437	LNUSEYGZYJEIOC-MFOYZWKCSA-N	413.572	4.687	50	20	HJGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)COc3ccc(C)c(C)c3)c2Cl)c1	916297901	NSXRHLJRMQGRBH-UHFFFAOYSA-N	424.932	4.597	50	20	HJGD	
CCC(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)CC	916301061	ORNBYNYHZDQANS-UHFFFAOYSA-N	407.543	4.565	50	20	HJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)[C@@H](C)c1ccc(F)cc1	916488098	RPWRTWKWYJFGMC-CNSGPVJWSA-N	423.532	4.940	50	20	HJGD	
CCCCS[C@@H](C)C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	918321668	YSTQZSLQTXKABE-VIFPVBQESA-N	413.918	4.598	50	20	HJGD	
CCCc1ccc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1	920298499	YZUHFOKGDNAKIG-UHFFFAOYSA-N	408.523	4.537	50	20	HJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c(Br)cc1O	921269981	QKOCHQNMYBEPDR-AWNIVKPZSA-N	414.284	4.746	50	20	HJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc3ccc(C)cc3nc2Cl)cc1	1324407568	JQXCPKBJUPPSGB-UZUMKDMXSA-N	405.885	4.990	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](NC(C)C)C(C)C)cc2)CCC1	1788121174	KWYJMUDKEJXKKW-PMACEKPBSA-N	422.013	4.551	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cn3)cc2)CCC1	1789732163	OEHLHHRVOMOYDQ-QGZVFWFLSA-N	420.340	4.890	50	20	HJGD	
CCOc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](Cl)CC)cc3)CCC2)c1	1790489992	OYSWDGAQOZWHCT-HXUWFJFHSA-N	414.933	4.850	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1	1814700117	ASGNJFUKTMODTB-WIVVBHTDSA-N	420.985	4.637	50	20	HJGD	
O=C(c1ccncc1)N1CC2(CCCN2C(=O)CCCCCCCCCCCl)C1	1845124425	NACBJXYZKHRYQE-UHFFFAOYSA-N	419.997	4.648	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1C	16000974	OOLZYYFATIIAST-CJLVFECKSA-N	420.557	4.933	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2csc(-c3ccc(Cl)cc3)n2)c(C)c1	16174891	ZPMXESFHWUHYOO-UHFFFAOYSA-N	416.959	4.712	50	20	HJGD	
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NNc1cccc(C(F)(F)F)c1	110785305	FIAXAYXDTQHEQN-UHFFFAOYSA-N	424.810	4.875	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc(Oc2cccnc2)cc1	727173223	RTHCTHXFULPMMF-UHFFFAOYSA-N	406.511	4.629	50	20	HJGD	
CC(C)[C@H](SCc1ccccc1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	727366094	GXGDVFOTIWTCFO-KRWDZBQOSA-N	411.354	4.712	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nn(-c3ccccc3)cc2C)c1C	730201502	PBJWOTBXOAMUQW-STZFKDTASA-N	401.514	4.945	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1	730596522	PMHZADYCCGOOCI-OLZOCXBDSA-N	412.317	4.562	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1C(=O)NC(C)C	731170965	JULSEXLWHCIEEQ-NHDPSOOVSA-N	420.557	4.753	50	20	HJGD	
CN(Cc1ccccc1-c1ccccc1)C(=O)NNC(=O)C(C)(C)c1ccccc1	731222044	UIOKCOICIJIKNV-UHFFFAOYSA-N	401.510	4.504	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(-c3ccccc3)no2)c(C)n1[C@H](C)c1ccccc1	732112028	OTPATUADAXDFNE-MRXNPFEDSA-N	401.470	4.521	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3cnn(C(C)C)c3)c2C)c1	732748969	RTSBKJPMMGTBML-VVJWVBNBSA-N	415.541	4.964	50	20	HJGD	
CC(C)Cc1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1	734257849	SKIUSFCXFGUFRE-UHFFFAOYSA-N	415.419	4.513	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNc1c(F)cccc1F	735699804	ARDJZHBKBJXOKF-UHFFFAOYSA-N	411.239	4.582	50	20	HJGD	
Cc1oc(-c2cccs2)nc1CC(=O)Oc1ccc([N+](=O)[O-])cc1Br	739315370	ZSQIOVOWDZPHRG-UHFFFAOYSA-N	423.244	4.530	50	20	HJGD	
COc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl	741468341	HYDLFGGWJJGJCX-SDQBBNPISA-N	402.686	4.994	50	20	HJGD	
O=C(NNC(=S)NCCSc1ccccc1)Nc1ccc(-c2ccccc2)cc1	741857214	YFNJHKQCPUWXDS-UHFFFAOYSA-N	422.579	4.647	50	20	HJGD	
Cc1cc2cc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)oc2cc1C	742473005	ZFDMZCMKBAFAQE-UHFFFAOYSA-N	414.461	4.557	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1	743821223	ZIINSQJWZJIXFF-KGLIPLIRSA-N	412.317	4.562	50	20	HJGD	
O=C(CCCCOc1ccc(Br)cc1)NNc1cc(F)c(F)c(F)c1	746706668	HAALTBUJWXUANH-UHFFFAOYSA-N	417.225	4.559	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c1	746890366	YFQYMPDWHDBCOC-UHFFFAOYSA-N	420.391	4.681	50	20	HJGD	
C=C(C)COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC	747063934	RPLTZIBFDRWOPB-VCHYOVAHSA-N	403.887	4.642	50	20	HJGD	
Cc1cnc([C@H](C)NC(=O)NNc2ccc(Br)cc2C(F)(F)F)s1	750663207	OFCDCKFCZFMKBS-QMMMGPOBSA-N	423.258	4.620	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1C	751302268	MBENOSKRRNABSS-HKWRFOASSA-N	424.508	4.770	50	20	HJGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl	753887803	NPZVZQBHXRPWLI-NTUHNPAUSA-N	404.253	4.506	50	20	HJGD	
CCC(C)(C)OCc1ccccc1NC(=O)NNC(=O)CSc1ccc(C)cc1	758284660	XAEHDPNPHZWEGG-UHFFFAOYSA-N	415.559	4.645	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1	759327814	CLBKEFKYMQVETG-UHFFFAOYSA-N	409.442	4.975	50	20	HJGD	
COC(=O)Nc1cc(C(=O)NNc2cc(Cl)ccc2Cl)cc(C(F)(F)F)c1	764324184	KRDSGFRMPXBXNY-UHFFFAOYSA-N	422.190	4.947	50	20	HJGD	
O=C(NNC(=O)c1cc(F)cc2cccnc12)Nc1ccc(-c2ccccc2)cc1	767350924	SCFGPQAOEIKTHW-UHFFFAOYSA-N	400.413	4.507	50	20	HJGD	
CC(C)CCOc1ccc(C(=O)NN=C2CCC(C(=O)OC(C)(C)C)CC2)cc1	768349361	KLDISVAGCGVTFU-UHFFFAOYSA-N	402.535	4.729	50	20	HJGD	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)NNc1c(F)cccc1Cl	770197848	LESQYJSBERQXCH-UHFFFAOYSA-N	409.845	4.719	50	20	HJGD	
Cc1ccccc1[C@H](CO)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777981706	DGBGEYWRGANBCY-HNNXBMFYSA-N	417.421	4.664	50	20	HJGD	
O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(S(F)(F)(F)(F)F)cc1	782908632	XHNFHOYCEGDJSD-UHFFFAOYSA-N	417.377	4.916	50	20	HJGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)cc1	783022361	OJJPVSJLUWFGAD-UHFFFAOYSA-N	421.522	4.545	50	20	HJGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1	783042738	HVZWXQINSCGQNY-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C	788188970	NMVZXMSELCMKBV-UHFFFAOYSA-N	402.857	4.554	50	20	HJGD	
Cn1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)c(-c2ccc(Cl)s2)n1	789901947	AMHJZDXSIUSYOX-UHFFFAOYSA-N	418.309	4.761	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	798313907	WWQPYHTWFKQQOT-UHFFFAOYSA-N	411.811	4.552	50	20	HJGD	
CNC(=O)c1ccc(/C=C(/C#N)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	912776560	KLGMFXYKVPYLTG-UYRXBGFRSA-N	417.896	4.897	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c1C	913134685	NYQARMHFKDIJPE-NBZOHKLQSA-N	418.497	4.821	50	20	HJGD	
COc1ccc(NC(=S)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc1	916126951	XRTWJIWFUKBNNM-CQSZACIVSA-N	417.600	4.539	50	20	HJGD	
CCCCn1nc(C)c(C=NNC(=O)c2ccc(OCCC(C)C)cc2)c1Cl	916285416	JMFSQRDFNFINKW-UHFFFAOYSA-N	404.942	4.834	50	20	HJGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl	916367195	VOPPGIXPDTZMQS-HNNXBMFYSA-N	419.982	4.502	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1Br)c1ccc(OC(F)F)cc1	916481283	HYNKXXCLCZEMAT-SECBINFHSA-N	418.213	4.577	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2csc(-c3cccc(OC)c3)n2)cc1	916612189	AYDKBSUPZHYAMJ-WOJGMQOQSA-N	420.490	4.868	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(OCC(C)C)c2)c1C	919891668	ILIUZJKRPCGZCA-PAEMTNLTSA-N	423.557	4.571	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccnc2N2CCCCC2)c1C	921034636	WVXQUIOOAJDVSG-XQNSMLJCSA-N	419.573	4.514	50	20	HJGD	
CC(C)(C)C(=O)NNC(=O)c1oc2ccccc2c1CSc1ccccc1F	921165532	SNELMKWOQZAMJN-UHFFFAOYSA-N	400.475	4.671	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc[nH]c34)CCC2)cc1	1786443244	DHKUADXLXZMIEB-GOSISDBHSA-N	424.932	4.718	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cccc2cnccc12	1789326333	GHDGDUPBTNHQLD-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2s1	1798086698	IMFIXFMIGOEVIP-YYIAUSFCSA-N	422.953	4.700	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1824013985	DEWBOGILHMCVFB-CFGKVWFZSA-N	409.014	4.618	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Cl)CC1	1829895485	ZDZAIDBYHWJVOK-HKUYNNGSSA-N	411.373	4.591	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831695644	DZXIPBZVKOMMSE-CWJKEVGVSA-N	411.030	4.840	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1C[C@H]1CCCO1	7654508	GLRRPCRUCNQWMX-OTJDAXFFSA-N	417.431	4.848	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	205773801	VEFWRYZLAQGPTL-GDNBJRDFSA-N	423.812	4.857	50	20	HJGD	
C=CCn1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)nc2ccccc21	206927464	SVZHETFTOMJAIZ-ZHZULCJRSA-N	404.520	4.836	50	20	HJGD	
COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Cl)c1OC	730430550	RGALBKKFGUDPBB-UHFFFAOYSA-N	411.889	4.529	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@H](C)C#N)c(C)n1-c1cccc(Cl)c1Cl	732111340	JHSAERRRTSFZCW-VJMCZWTHSA-N	401.297	4.584	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccc(OC)cc23)c1C	733176995	ODUWXBIWINAERL-BKUYFWCQSA-N	418.541	4.661	50	20	HJGD	
CN(C)c1ccc(N2CCC(NC(=O)CCCC[C@H]3CCSS3)CC2)cc1	742109045	KZHQASOHLIJRAY-FQEVSTJZSA-N	407.649	4.552	50	20	HJGD	
C[C@@H]1C[C@@H]1[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1	743540990	XWPDORZYOLMIGN-OREJSRFESA-N	407.901	4.835	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2ccc(OC)c(SC(F)(F)F)c2)c1	744567180	GYXZDLUUQASTOP-NVNXTCNLSA-N	423.412	4.966	50	20	HJGD	
C[C@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1nc(C(C)(C)C)no1	745919578	JTJFLZQJLMBDEM-ZETCQYMHSA-N	406.701	4.715	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(Br)c(C)c1	746395478	YCFQCZYDRNJGDJ-DHDCSXOGSA-N	415.287	4.669	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccon2)c(C)n1-c1cccc(Cl)c1Cl	747336256	PFSZHYUGJSDWTI-DHDCSXOGSA-N	415.280	4.612	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(-c2cccc(Cl)c2)on1	748745077	ZAXSTFAYPXLOSP-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
CC(C)n1ncc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c1-c1ccccc1	754279852	GQIJCZXIKKIVSG-UHFFFAOYSA-N	418.419	4.829	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cc(-c2cccnc2)nc2ccccc12	754467230	ICRUCYJJCQVXAN-UHFFFAOYSA-N	418.460	4.511	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c(Br)c1O	761014462	ZHJRWJPVMNRALK-POHAHGRESA-N	405.248	4.976	50	20	HJGD	
C[C@@H]1CN(CCCNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H](C)O1	762980315	OSSVQSVMMRMDAS-CHWSQXEVSA-N	417.444	4.965	50	20	HJGD	
Cn1ccc([C@@H](NC(=O)NNc2ccccc2C(F)(F)F)c2ccc(Cl)cc2)n1	763166267	ULNLLDYGBPTABU-KRWDZBQOSA-N	423.826	4.508	50	20	HJGD	
O=C(Cc1csc(Cc2ccc(F)cc2)n1)NNc1c(Cl)cccc1Cl	763613102	XQCQTAMYASFQJQ-UHFFFAOYSA-N	410.301	4.866	50	20	HJGD	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H](Br)C(C)(C)C	767034938	ZVBKPNWSZGTJSC-KRWDZBQOSA-N	403.320	4.995	50	20	HJGD	
Cn1c(COC(=O)CCCC[C@@H]2CCSS2)nnc1-c1ccc(Cl)cc1	770322102	BMZHLDWLKUXVKL-OAHLLOKOSA-N	411.980	4.893	50	20	HJGD	
O=C(NCCCNc1ccccc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773301317	WSWHLSOVNPBZFJ-UHFFFAOYSA-N	423.407	4.901	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1cc(NCc2ccccc2)nc2ccccc12	774780844	WRHOAWHOUJVJTL-UHFFFAOYSA-N	420.476	4.547	50	20	HJGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)s1	775270514	DKPZQAFPCMAHOK-UHFFFAOYSA-N	422.297	4.851	50	20	HJGD	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NNc1ncccn1	775642217	XAAHZPPKDWHREJ-UHFFFAOYSA-N	419.464	4.670	50	20	HJGD	
COC(=O)c1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777597079	LUEXABJOTATTGS-UHFFFAOYSA-N	417.377	4.931	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	783444095	DEWAWESGGKGQGO-UHFFFAOYSA-N	413.343	4.873	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2	787335506	SWWNDWFACBAUDW-DIXABZHVSA-N	410.473	4.530	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)/C(C#N)=C\c3ccc(O)cc3)s2)cc1	787370364	QADHMLAFCSCWNZ-HIXWQLQUSA-N	419.506	4.617	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	791719552	IQGVHLIEVXKVIU-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
COc1ccc(C(=O)c2ccccc2C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791725881	ARKICHTVNNKOGO-UHFFFAOYSA-N	415.276	4.990	50	20	HJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCOC[C@H]2[C@H]2CCCC2=O)cc1	792876943	FSMINOSELLUSMQ-RTWAWAEBSA-N	403.639	4.778	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c(O)c1	794383490	PLVWGBLELUCCNH-UDWIEESQSA-N	407.514	4.548	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCCC[C@@H]1C(F)F	800646754	DRNSYTNZUJXZGX-LLVKDONJSA-N	408.339	4.929	50	20	HJGD	
CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ncccc2F)cc1	804217737	FZCPBOCBMUQOKL-UHFFFAOYSA-N	415.472	4.954	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	805374106	JNTXFQALMUPFRH-UHFFFAOYSA-N	405.241	4.962	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cc(OC)c1OCC(F)F	809146140	MMFLAIJROPAOEP-VZUCSPMQSA-N	413.829	4.852	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)cc1	893803500	JLPVMSCQCWGPQY-HDAKKWKLSA-N	408.498	4.667	50	20	HJGD	
Cc1ccc([C@H](C)N(C)C(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1	914495354	CDQJPUBLXYAHIW-IQBKCDAQSA-N	405.542	4.719	50	20	HJGD	
CCN(Cc1ccc(Cl)cc1)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	914502225	UUONPTAEGWLFGN-WCEBZYJUSA-N	413.949	4.921	50	20	HJGD	
CCC(=NNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(Cl)c(Cl)c1	916289981	CHHZEIWKUMHCEG-UHFFFAOYSA-N	411.285	4.563	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1csc(COc2ccccc2)n1	918711149	QTJFCWUIYMBIPU-UHFFFAOYSA-N	401.491	4.568	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2nc(-c3ccc(C(C)C)cc3)no2)c1	922876009	JYTJWYQSYPLMRB-ODLFYWEKSA-N	403.438	4.519	50	20	HJGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cccs1	1317911461	HUXCKWSUZKPYTF-MRXNPFEDSA-N	424.364	4.632	50	20	HJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1cccc(Br)c1	1340916154	SWGYFRHVDCTPAL-UHFFFAOYSA-N	400.276	4.984	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CCC1	1788913908	QBUNBEVBDSHNIF-LJQANCHMSA-N	409.917	4.933	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)c1C	24001580	VNPIREAZJQLRMI-NEHQXMDYSA-N	421.541	4.539	50	20	HJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	72067730	FRJZRDSMUSZEEG-JYRVWZFOSA-N	421.280	4.955	50	20	HJGD	
CSc1ccc(C(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1	205722554	OGEWUHCYCZCUDF-JAIQZWGSSA-N	410.539	4.816	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1C	213297439	QUOHUAMSIJOCTK-NNVROAHOSA-N	411.571	4.691	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(OC2CCCC2)c1	303372549	SYZDOMRLCJSTKE-UHFFFAOYSA-N	409.364	4.692	50	20	HJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1	726119267	WILILDPSNOGGOC-WZUFQYTHSA-N	401.098	4.829	50	20	HJGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1	728781595	RBEZWDJXELYGOC-UHFFFAOYSA-N	420.812	4.676	50	20	HJGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl	730493097	ASLRPUHYFIKWSO-WDEREUQCSA-N	418.107	4.865	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1	730551997	IJEUNKNAGFKGBQ-YZYPPFLQSA-N	403.507	4.993	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ncc(-c2ccc(Br)cc2)[nH]1	732714259	UWPHZILGBGTWOK-XNTDXEJSSA-N	407.271	4.693	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2oc3c(C)ccc(C)c3c2C)c1C	734256517	FVNIQYSWECZARC-UHFFFAOYSA-N	401.470	4.584	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc(C2CC2)nc2ccc(F)cc12	742546004	HYRZNUJRAMMUFO-UHFFFAOYSA-N	400.797	4.570	50	20	HJGD	
COc1ccccc1NC(=S)NNC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1	743823623	YUZBLYDROODGSV-UHFFFAOYSA-N	423.538	4.884	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1	748416081	PLHXVNZMYLULMD-UHFFFAOYSA-N	415.287	4.995	50	20	HJGD	
COc1cccc(C[C@]2(C(=O)NNc3cccc4cnccc34)C[C@H]3CC[C@H]2C3)c1	748758834	HOOYUAFBMKGVSB-KHOMTPLRSA-N	401.510	4.736	50	20	HJGD	
CCOc1cc(C(=O)NNc2cc(Cl)ccc2Cl)cc(OCC)c1OCC	752810750	DVZONBOGSHBXBU-UHFFFAOYSA-N	413.301	4.946	50	20	HJGD	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752980229	GGLIRKRFSRQDNV-VHSXEESVSA-N	410.430	4.629	50	20	HJGD	
C[C@H](CS(C)(=O)=O)N(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	752986907	NBKNFDBEBBPLBC-SNVBAGLBSA-N	422.441	4.773	50	20	HJGD	
N#Cc1cccc(Oc2ccc(NC(=O)NNC(=O)c3cc4ccccc4o3)cc2)c1	756490037	SHVKKLIJMZAGNX-UHFFFAOYSA-N	412.405	4.563	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c(C)c1	758148925	OLWUYZPWGXZYRL-UHFFFAOYSA-N	410.930	4.650	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)c2ccc(F)cc2F)c1C	760178768	WAEGFSLVBWAIFC-CJMVGXJBSA-N	414.452	4.905	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(CNC(=O)c2cccs2)cc1	763615911	KHTDGUJJTRSGKC-UHFFFAOYSA-N	420.321	4.742	50	20	HJGD	
C[C@@H](CBr)CN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	770653312	OOZHUOAVTUCPFI-AWEZNQCLSA-N	420.326	4.859	50	20	HJGD	
Cc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)nn1-c1ccccc1Cl	776452610	AIVNYSZEPKIKSY-UHFFFAOYSA-N	412.280	4.793	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(N3CCC[C@H]3C(C)C)c(F)c2)cc(C#N)n1C	777836274	KIDCPKLUMBQMMF-RJSQPESZSA-N	419.504	4.515	50	20	HJGD	
CCc1noc(C2CCC(=NNC(=O)c3sc(-c4ccccc4)nc3C)CC2)n1	778540957	ZHJCTEUABOCECO-UHFFFAOYSA-N	409.515	4.508	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	780800684	BVRHJPSEPKDVMR-UHFFFAOYSA-N	421.840	4.547	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	785388511	XWOIFGAKJAQTAD-CQSZACIVSA-N	408.467	4.944	50	20	HJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3nnc(-c4ccccn4)s3)sc2c1	788561003	VZDBDZJCNWVAEY-UHFFFAOYSA-N	401.904	4.534	50	20	HJGD	
C[C@@H]1OCC[C@]12CN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C[C@@H](C)O2	792880574	GOCQHMWWBPSSHD-MSYCTHLASA-N	405.655	4.977	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1nc(C(F)(F)F)cs1	795165119	XFLAOCXREYXXLZ-UHFFFAOYSA-N	416.425	4.574	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2cc3ccc(F)cc3nc2C)cc1	799604625	AVQVRGXUBXEZBP-UHFFFAOYSA-N	410.518	4.656	50	20	HJGD	
CCCc1noc2nc(CC)cc(C(=O)NNc3ccc(Br)c(C)c3)c12	800521158	WGKMOUQEQOAECD-UHFFFAOYSA-N	417.307	4.566	50	20	HJGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCO1	802072942	ULPJUDOLQRNLCI-HZMBPMFUSA-N	422.740	4.641	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	811626472	JQJWKMSREXMXRG-KPKJPENVSA-N	406.225	4.846	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2Br)nn1)c1cc(C(F)(F)F)ccn1	812248882	TXUFOCWFQMOFLX-YRNVUSSQSA-N	420.192	4.508	50	20	HJGD	
CSCc1cnc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)s1	814736969	WXSAQKSWDNUDBV-UHFFFAOYSA-N	408.508	4.578	50	20	HJGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015014	HXVVQQOJQIFURZ-QMMMGPOBSA-N	408.346	4.701	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2-n2cncn2)c(C)n1CC(C)C	883404892	SCRAPKPGJPJRSL-QGMBQPNBSA-N	422.920	4.541	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3c(C)cc(C)nc3C)c2C)cc1	914721445	AZYBEMGTOZIFDI-BKUYFWCQSA-N	414.509	4.969	50	20	HJGD	
N#C/C(=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2	915845762	WSUISWLZAKFUPE-VBKFSLOCSA-N	419.416	4.908	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1ccc(C(F)(F)F)cc1	920036759	JJTWKMSQZBQURT-OAHLLOKOSA-N	414.427	4.742	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3csc(C4CC4)n3)cc2)cc1	920362114	MOOHRPSCHHZMEG-UHFFFAOYSA-N	421.522	4.762	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1OCC	920991920	QXWBNMZOISGKHL-RVDMUPIBSA-N	415.287	4.792	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1cc(Cl)ccc1F	1785962480	RXATZQNQHBPGAS-INIZCTEOSA-N	413.251	4.761	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3)CCC2)cc1	1786444151	PUSPCRFLHXIDFO-HXUWFJFHSA-N	414.933	4.607	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(C)on3)CCC2)cc1	1786444913	KYAFLWWYUQEAER-VYENPZKTSA-N	415.921	4.538	50	20	HJGD	
O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1791325382	HTNGLJYFORRCIT-QLFBSQMISA-N	409.357	4.751	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(C)c2C)[nH]n1	1815317831	KAEBNFTXKAYEND-NVXWUHKLSA-N	422.982	4.801	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(C)c2C)CC1	1826183319	HUGFQGCKZNHDRG-RBUKOAKNSA-N	411.011	4.616	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(C)s2)CC1	1830314298	DJOSYAYBWYTBTK-ILXKITPQSA-N	423.022	4.707	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)cc2)CC1	1831519796	YXFBPJSFWAEMNB-YADHBBJMSA-N	419.009	4.565	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2F)CC1	1832546740	KEEARPXCFWAVJM-ICSRJNTNSA-N	422.972	4.775	50	20	HJGD	
COc1cc(CCC(=O)NN(c2ccccc2)c2ccccc2)cc(OC)c1OC	7771915	LCFSDBVFPRUYIT-UHFFFAOYSA-N	406.482	4.515	50	20	HJGD	
N#C/C(=C\c1ccccc1OCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1	25198464	FRAJNFNEKLGUFS-DEDYPNTBSA-N	410.882	4.652	50	20	HJGD	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)NNC(=O)c3ccccc3C)o2)cc1	45765702	AZLXAPRJBLDUKV-UHFFFAOYSA-N	411.461	4.700	50	20	HJGD	
CC(C)CC(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1	725822529	FVDKHXGNAHRSHT-UHFFFAOYSA-N	400.482	4.841	50	20	HJGD	
COc1cc(C=NNC(=O)c2ccc[nH]2)ccc1OCc1ccc(Cl)cc1Cl	725854048	CHPWXNUIGJJYPO-UHFFFAOYSA-N	418.280	4.673	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730457840	RJCIMSNMJIXARG-MOPGFXCFSA-N	413.304	4.640	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730457843	RJCIMSNMJIXARG-RTBURBONSA-N	413.304	4.640	50	20	HJGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3c(-c4ccccc4)nn(C)c3Cl)cc2C1	734745021	GMVGJZJSOIRQPK-ZDUSSCGKSA-N	412.946	4.691	50	20	HJGD	
COc1cc(C(=O)NN=C(C)c2cccc(-c3ccncc3)c2)ccc1OC(C)C	741455130	KTWZWRRKMPFKTJ-UHFFFAOYSA-N	403.482	4.698	50	20	HJGD	
CCC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)C1CCOCC1	745192276	CQUQYFDNROQILU-UHFFFAOYSA-N	422.554	4.778	50	20	HJGD	
COc1cccc([C@H](NC(=O)NNc2ccc(Cl)nc2)c2ccccc2Cl)c1	745846492	FMPVFFXWJVUYOT-IBGZPJMESA-N	417.296	4.813	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(-c3ccccc3C)no2)cc1	746058970	INDYLGPDKYMYDE-OKSBFYSISA-N	403.438	4.655	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)NNc1ccc(C#N)cc1	748116437	AHAYTNDMOHIEAF-UHFFFAOYSA-N	402.454	4.815	50	20	HJGD	
COc1ccc(C(=O)NNc2ccccc2Br)cc1OC1CCCC1	752627341	WSTRTWORGJTGTK-UHFFFAOYSA-N	405.292	4.536	50	20	HJGD	
C[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)NCc1ccco1	753926318	XRXQNKUHVNHWPM-JTQLQIEISA-N	413.368	4.763	50	20	HJGD	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NNc1cc(C)ccc1F	760131115	JJVRTQVMAKEQSO-UHFFFAOYSA-N	423.872	4.900	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1	760136976	KWRDNLFXWNCFJK-UHFFFAOYSA-N	417.440	4.818	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Br)c(C)c2)c(Br)s1	761568002	HZWPZCVOFDSUBY-UHFFFAOYSA-N	404.127	4.647	50	20	HJGD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	761618086	MMZWWUWLEZMYHY-OAHLLOKOSA-N	420.840	4.681	50	20	HJGD	
CC1(C)C[C@@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C(C)(C)O1	762681144	WTJZODPLZMTYFP-GFCCVEGCSA-N	416.412	4.745	50	20	HJGD	
CC(=O)NC1CCC(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762978760	DXCNJXSFHUDLHX-UHFFFAOYSA-N	401.401	4.913	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OC[C@@H]2CCO[C@@H]2c2ccccc2)c1C	769348898	PJHRZDMAKIVVHL-RVCNYBHNSA-N	422.525	4.540	50	20	HJGD	
COc1ccc(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)nc1	770129419	PHYRTSLPWGCVCC-AWEZNQCLSA-N	405.829	4.631	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc(Sc2ccc(Cl)cc2)cc1	774330615	PTYSSGFGHVASND-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
COc1ccc(Oc2ccc(NC(=O)NNc3ccc4ccccc4n3)cn2)cc1	775642038	VGIBWAFTBSWTKT-UHFFFAOYSA-N	401.426	4.579	50	20	HJGD	
N#Cc1ccccc1Oc1ccccc1C(=O)NNc1ccccc1Br	778391664	OUYUVYZJTBZXDV-UHFFFAOYSA-N	408.255	4.870	50	20	HJGD	
Cc1cc2c(Br)ccc(C(=O)NNc3ccc(OC(F)F)cc3)c2o1	785611764	BHZFUBVQJRHBPT-UHFFFAOYSA-N	411.202	4.862	50	20	HJGD	
O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)NNc1cccc(F)c1	787134125	SZSAMCWYNTYTDN-UHFFFAOYSA-N	409.248	4.649	50	20	HJGD	
N#C/C(=C/c1ccccc1OCC(=O)NCC1CC1)C(=O)c1cc2ccccc2s1	788333376	ZAGYYUGQEABLBS-ODLFYWEKSA-N	416.502	4.596	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1	805380087	BVOPSDLKNYMNNQ-UHFFFAOYSA-N	412.471	4.571	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c(C)c1	818259546	HRZYVNQAJGWRKI-UHFFFAOYSA-N	408.483	4.502	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccncc3)cc2)cc1Cl	915040943	HODZVCDNEKTYSW-PDGQHHTCSA-N	419.868	4.868	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1cccc(C(F)(F)F)c1	915848873	MZBCIHVMJFJQJL-MFOYZWKCSA-N	418.415	4.725	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)C(=O)Nc1nccs1	915851809	UYKLZJHEQUTNIL-SZNGSJQDSA-N	421.322	4.561	50	20	HJGD	
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1cc2c(s1)CCC2	916315135	IOEYEIHLOKGNNA-UHFFFAOYSA-N	418.547	4.915	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCN(c2nc3ccccc3s2)CC1	918103087	RCIIWSCUYKAZAQ-HNNXBMFYSA-N	407.630	4.659	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(C)c(OCc3ccccn3)c(C)c2)n1	920387723	OCBDQEGYBWHIRK-WQRHYEAKSA-N	419.506	4.975	50	20	HJGD	
Cc1cccc(-c2nc(CC(=O)NNc3ccc(Br)cc3)cs2)c1	932523014	LKFIQITXNMZAQV-UHFFFAOYSA-N	402.317	4.567	50	20	HJGD	
COc1cc(OC)cc(-c2nnc(/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)o2)c1	1329064338	NCHOHBGSKOGXLY-UWVJOHFNSA-N	406.486	4.892	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1	1341538593	QAJYOVFMQLNUTR-UHFFFAOYSA-N	413.412	4.781	50	20	HJGD	
CC(C)c1nc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)co1	1786011432	QARJNDSTIOOOKU-UHFFFAOYSA-N	417.937	4.811	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(C)on3)CCC2)cc1	1786444912	KYAFLWWYUQEAER-GNISGLHKSA-N	415.921	4.538	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)nc3C)CCC2)cc1	1786445001	OFKFTEUSKAUCCA-GOSISDBHSA-N	417.912	4.684	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cscc3OC)cc2)CCC1	1788824910	BLDYUTGDFABRKG-KRWDZBQOSA-N	420.962	4.912	50	20	HJGD	
Cc1ccc2cc(C(=O)N3CCC4(CCCN(C(=O)[C@@H](F)Cl)C4)CC3)sc2c1	1810913153	LJJSQTOKISNJSX-GOSISDBHSA-N	422.953	4.589	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)[nH]n1	1815317638	DIHLVLDIZACJAQ-AMMZPXFLSA-N	420.966	4.584	50	20	HJGD	
Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)Cl)CC2)oc2ccccc12	1827613865	VITNFWFGEOURJN-YLJYHZDGSA-N	420.912	4.509	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1	214862026	GUOKELLDVBTVLH-MLJKTZRHSA-N	403.265	4.779	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)cc1	302915386	WQTCDGWUUIEFSA-SAPNQHFASA-N	406.869	4.874	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCN(c2ccccc2OC(F)F)C1	303622154	DJEOWBFGAODZMW-LSDHHAIUSA-N	416.559	4.697	50	20	HJGD	
Cc1nc(C(F)(F)F)ccc1C(=O)NNc1ccc(Br)cc1Cl	729276835	QBEVBJQTOYOPJK-UHFFFAOYSA-N	408.605	4.582	50	20	HJGD	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NNC(=S)Nc1cccc(Cl)c1	730597050	QOFASPURCSMQKQ-JTQLQIEISA-N	416.761	4.843	50	20	HJGD	
C[C@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)NNC(=O)C3CCC3)c2C1	732140707	AQETUMLJAUJOOK-JEFCNZTNSA-N	415.493	4.512	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)Cc3c(C)noc3C)c2C)cc1	737667148	UPJRDCFHHOLKAG-QLPFJNHISA-N	416.525	4.662	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2coc(-c3ccccc3)n2)c1C	741608636	ZQARTKREJFPYPZ-BKUYFWCQSA-N	402.498	4.783	50	20	HJGD	
O=C(CSCc1ccccn1)NNc1c(Cl)cc(Br)cc1Cl	742004771	APWJUCXMIZRTQN-UHFFFAOYSA-N	421.147	4.527	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCc2ccc3ccccc3n2)c1C	743723141	MCLQYIPSFXPHCU-CJLVFECKSA-N	400.526	4.719	50	20	HJGD	
CCc1cc(NNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)nc(-c2ccccn2)n1	746691884	JWWJBUDLKJESJV-GFCCVEGCSA-N	416.312	4.655	50	20	HJGD	
CCN(Cc1ccc(C(=O)NNc2ccc(F)cc2Br)cc1)C(C)C	748075031	SGJHQDJWBHXINZ-UHFFFAOYSA-N	408.315	4.575	50	20	HJGD	
Cc1cnc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cn1	750102811	CKEQYIXNNVHCER-WSDLNYQXSA-N	422.488	4.996	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(Br)cc2F)cc1OC1CCCC1	752631687	GHELBIGRAICDCG-UHFFFAOYSA-N	423.282	4.675	50	20	HJGD	
Cc1ccnc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1	755844168	SNSIVJAPUQKSTQ-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)NNC(=O)c2ccc(Cl)cc2O)c1C	756871509	MTXKURDPTORXMA-UHFFFAOYSA-N	419.909	4.526	50	20	HJGD	
N#C/C(=C/c1ccc(Br)c(Br)c1)C(=O)Nc1ccccc1F	757526018	KEGRLMDALJDSQI-XFFZJAGNSA-N	424.067	4.896	50	20	HJGD	
CCOc1cc(/C=C(/C#N)c2ccncn2)ccc1OCCOc1ccc(C)cc1	758917514	WTTRMLAAPPPSOT-ZHZULCJRSA-N	401.466	4.706	50	20	HJGD	
CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCS1	762666066	OOIVBQNUZDPZLT-CYBMUJFWSA-N	418.453	4.883	50	20	HJGD	
CC(=O)c1cc(F)c(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(F)c1F	763538361	ARVJAFGNOFEUPS-FRKPEAEDSA-N	417.431	4.927	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1ccc(-c2nnc3n2CCCCCC3)cc1	769942882	JSSQAANKIPMEOP-UHFFFAOYSA-N	410.909	4.864	50	20	HJGD	
C[C@@H](NC(=O)NNc1c(F)cccc1Cl)c1nc(-c2ccc(Cl)cc2)no1	771330712	JZYRJPOTMXXHIM-SECBINFHSA-N	410.236	4.570	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3ccc(C(F)(F)F)cn3)ccc2n1-c1ccccc1	775253906	BXYKHQWPVXXEHZ-UHFFFAOYSA-N	411.387	4.505	50	20	HJGD	
Cn1nc(C(F)(F)F)c(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1Cl	782108776	WCHHFLQNQGTQSD-VURMDHGXSA-N	422.716	4.657	50	20	HJGD	
COC[C@H](C)n1ccc(NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n1	782699516	LQEWPXWSNIINRZ-HZMBPMFUSA-N	422.860	4.954	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)n2)c1C	782847861	SXOARNXPGAJCAF-PWDRSIHYSA-N	407.301	4.560	50	20	HJGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(OCc3cccc(Cl)c3)cc2C)cc1	783343187	OUXHBVNXXPOUQX-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
CC(F)(F)CCC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783460825	IBUICYGMFUCXBJ-UHFFFAOYSA-N	403.341	4.584	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccc(Cl)c(Cl)c3)nn2)c(C)c1	783695360	BEQFNNYPCLWECO-RIYZIHGNSA-N	412.280	4.737	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(\C#N)c3nc(-c4ccncc4)cs3)cnc12	783708256	PADCGMVDTSSZOJ-VGOFMYFVSA-N	422.311	4.988	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc([C@@H]3CCCO3)nn2C)c(C)n1C1CCCCC1	790125598	SSHMCGWAGNMVTM-JJEHFPDLSA-N	421.545	4.741	50	20	HJGD	
C=CCOc1cn(-c2ccccc2)nc1C(=O)NNc1cc(Cl)cc(Cl)c1	791717114	QCTOKZVCLXNKHR-UHFFFAOYSA-N	403.269	4.501	50	20	HJGD	
C[C@@H](c1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1)N1CCOCC1	792301383	JRNFPAPINUBVJT-ZDUSSCGKSA-N	409.317	4.535	50	20	HJGD	
N#C/C(=C/c1ccccc1I)C(=O)c1ccc2ncccc2c1	794885587	UAJOOKWZDDPCQL-YBEGLDIGSA-N	410.214	4.629	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccccc1SCC(=O)N1CCCC1	794955285	SLQNZRHIJGLTPH-UHFFFAOYSA-N	411.571	4.590	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1C#N	799494226	CWPLBEHHLXDODS-NVNXTCNLSA-N	420.881	4.889	50	20	HJGD	
N#C/C(=C/c1c(Br)cncc1Br)c1nc2ccccc2[nH]1	806565188	JPLGLVUQVPYSJZ-UITAMQMPSA-N	404.065	4.547	50	20	HJGD	
COc1ccc([C@@H](O)C2CCN(Cc3ccc(OCCCCl)cc3)CC2)cc1	812773974	BBYJNLHQCDBEGG-HSZRJFAPSA-N	403.950	4.649	50	20	HJGD	
Cc1cccc2c1[C@H](OC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]3CCCO3)c1C)CCO2	814031876	AMVCXXFCLUDDDH-WDNDMZGNSA-N	420.509	4.566	50	20	HJGD	
O=C(/C=C/c1ccc(Cl)nc1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014238	YGJIFNVGLZTCNQ-DUXPYHPUSA-N	409.717	4.929	50	20	HJGD	
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNC(=O)C1CCCC1	914836369	IMVQABLKRYPMQA-UHFFFAOYSA-N	406.461	4.752	50	20	HJGD	
CCCCn1nc(C)c(C=NNC(=O)c2sc(-c3ccccc3)nc2C)c1Cl	916349525	OFFJKIMLGDEPKM-UHFFFAOYSA-N	415.950	4.841	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccccc1OC(F)(F)F)c(C)n2C1CC1	1116695707	GIQXRRRDTMTZBU-UHFFFAOYSA-N	419.403	4.949	50	20	HJGD	
O=C(Nc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1)c1ccc(O)nc1	1317916100	WMLDZAOAOWUUCK-UHFFFAOYSA-N	424.460	4.523	50	20	HJGD	
CCOC(=O)COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	1331093242	DDDBZPMSAWTNHE-ODLFYWEKSA-N	415.474	4.688	50	20	HJGD	
CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)CCl)[C@@H]1c1cccnc1	1812694540	UNEVEBAZFGJETD-YSIASYRMSA-N	422.013	4.569	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2C)CC1	1824609835	HAHXYHWQRLZBOQ-CTNGQTDRSA-N	422.972	4.775	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2oc3ccccc3c2COC)cc1	7850854	QMPMNDNKDTWAFE-UHFFFAOYSA-N	411.527	4.553	50	20	HJGD	
O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccccc1Cl	9790736	FUQJMGVKYVJMHG-UHFFFAOYSA-N	423.243	4.566	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1csc(COc2ccc(C)cc2)n1	63276299	CEENPYCKRJDANM-WJDWOHSUSA-N	405.479	4.585	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1C	213297372	QUOHUAMSIJOCTK-OABJIQBASA-N	411.571	4.691	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(F)cc2)cc1	301244212	XBDWGPKJAMFMLM-UHFFFAOYSA-N	400.457	4.998	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	726937252	CVHKARMPABDKSZ-XSFVSMFZSA-N	424.460	4.998	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCc3c(Br)cccc32)cc1	727740702	ISLKBNAQIZZUEX-IZLCOFNUSA-N	411.299	4.558	50	20	HJGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727792062	HFHIEGSKXVTGIF-SECBINFHSA-N	403.718	4.589	50	20	HJGD	
CC[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	727810206	PRBPMXOIOGBFID-CAZPATRMSA-N	423.520	4.508	50	20	HJGD	
Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)CCCC[C@H]2CCSS2)c1C	728524432	AABQHLRBVYGMKJ-FUHWJXTLSA-N	424.657	4.858	50	20	HJGD	
N#C/C(=C/c1ccccc1OCC(=O)N1CCCC1)c1nc2cc(F)ccc2s1	730259988	GWHUPVOSNUGJLM-WJDWOHSUSA-N	407.470	4.501	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)ccc1OC(F)F	730436350	IPFCUVCFOZGSMI-UXBLZVDNSA-N	414.227	4.910	50	20	HJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2csc(COc3ccc(Cl)cc3)n2)cc1	734304580	OQQOTMBSIBNKMQ-LICLKQGHSA-N	423.925	4.907	50	20	HJGD	
Cc1cc([C@@H](NC(=O)NNC(=O)c2ccccc2)c2ccccc2Cl)ccc1F	743521795	SFSQQCMHWFNXJP-HXUWFJFHSA-N	411.864	4.521	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(Cc3ccccc3)no2)c1C	744560125	YCGIQJGTLGQXRY-MKYLKIGJSA-N	418.497	4.700	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1	751946351	YQQZBJGWRLOFOD-XKSYAXFZSA-N	405.256	4.640	50	20	HJGD	
CC(C)(CCS(C)(=O)=O)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753928505	AWPRCJMXDDLCHO-UHFFFAOYSA-N	410.430	4.679	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc(-c3ccccn3)ccc2Cl)c1C	754876549	ORNUMXDCAAOSOO-UHFFFAOYSA-N	410.930	4.650	50	20	HJGD	
CCn1ccnc1C=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	755481717	RHLUVTZWJPBMBC-UHFFFAOYSA-N	421.551	4.569	50	20	HJGD	
O=C(CNc1ccccc1)NN=Cc1nc(-c2cc(Cl)ccc2Cl)cs1	755504582	MWQMOPSLUPCGAG-UHFFFAOYSA-N	405.310	4.679	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(-c2ccc(F)cc2Cl)nn1	755572185	KWTYBFLUEYAKKY-GHXNOFRVSA-N	416.243	4.567	50	20	HJGD	
Cc1ccc(SCC(=O)NNC(=O)Nc2cccc(COC(C)(C)C)c2C)cc1	756856528	RPNNEGKSSBWHHZ-UHFFFAOYSA-N	415.559	4.564	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c(C)n1CC(C)C	760831234	BYIDWMWKZLFABK-CTPANLQCSA-N	417.513	4.595	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1csc(Cc2ccc(C)cc2)n1	768465026	KAKAUVUKXPPKQJ-UHFFFAOYSA-N	424.595	4.545	50	20	HJGD	
Cn1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)c(-c2cccs2)n1	769614123	HPPMFPNISKXCPB-XFFZJAGNSA-N	415.272	4.883	50	20	HJGD	
O=C(NC[C@H](O)c1ccc(F)cc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	770128138	GEXLRVJYJUXSTJ-ZFWWWQNUSA-N	422.831	4.900	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2Cl)o1)NNc1ncc(Cl)cc1Cl	775266622	ZRQFCYITKDLZRX-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)nn1-c1ccccc1Cl	776487660	LDJQBCWCIPBAFG-UHFFFAOYSA-N	424.810	4.532	50	20	HJGD	
N#C/C(=C\c1cccc(Br)c1OC(F)F)C(=O)Nc1ccccc1F	776726382	XAWQJGSNYSTAFW-DHZHZOJOSA-N	411.177	4.735	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(OCc2ccccc2C#N)cc1	777477999	MGEFGMZVPSUVRD-UHFFFAOYSA-N	408.461	4.751	50	20	HJGD	
CCC(=O)c1ccc(OCCCCC(=O)NNc2nc3ccccc3cc2C)cc1	777530590	FRFXCSGOMAPZID-UHFFFAOYSA-N	405.498	4.828	50	20	HJGD	
Cc1cccc(C=NNC(=O)c2ccc(COc3ccccc3)o2)c1OC(F)F	777879842	OSTBRRHQHXPJAG-UHFFFAOYSA-N	400.381	4.532	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1cccc(OCc2cccnc2)c1	779405719	SUABAPDPAVBVBO-UHFFFAOYSA-N	418.375	4.708	50	20	HJGD	
C[C@@H](NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1=CCN(C)CC1	781396591	PBXBWDYITAVJFH-ABAIWWIYSA-N	407.889	4.678	50	20	HJGD	
Cc1ccc([C@@H](C)C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)o1	783465355	MVCNVXADXXMRCC-SNVBAGLBSA-N	419.393	4.854	50	20	HJGD	
Cc1nc(-c2ccccc2NC(=O)NNC(=O)c2ccc3ccccc3c2)cs1	797668844	KYYPHXHTCABAST-UHFFFAOYSA-N	402.479	4.738	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(Br)c(F)c1)c1ccc(C(F)(F)F)cc1	798992031	JTRLGGOUHUPRBB-VIFPVBQESA-N	405.189	4.854	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc3oc(=O)oc3c2)c(C)n1C1CCCCC1	799418268	DUYUDEDFDAERHY-GZTJUZNOSA-N	406.438	4.822	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3n2CC(F)(F)F)c(Cl)c1	802048717	XTLCBPZFJGIZJG-UHFFFAOYSA-N	424.810	4.632	50	20	HJGD	
Cc1nc(Cl)ccc1NC(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	806497474	JEQAFBWTDRXKGS-UHFFFAOYSA-N	422.798	4.668	50	20	HJGD	
N#C/C(=C/c1c(Br)cncc1Br)c1ccc([N+](=O)[O-])cc1	806565227	KIYDDJVVGCFKBQ-YHYXMXQVSA-N	409.037	4.579	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)cc2)n1	810686723	LQUGKNUFKOMNRS-UHFFFAOYSA-N	403.851	4.514	50	20	HJGD	
Cc1ccc(-c2[nH]ncc2C=NNC(=O)COc2ccccc2-c2ccccc2)cc1	812387738	QVNSQUUAVUWFDM-UHFFFAOYSA-N	410.477	4.581	50	20	HJGD	
C[C@H](CC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(F)c(Br)c1	812538566	SGGZHOLUNLCIJK-SNVBAGLBSA-N	417.225	4.827	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc(CC(C)C)no2)c(C)n1C1CCCCC1	861781243	RDCKXYOTGWFPBD-XDHOZWIPSA-N	410.518	4.842	50	20	HJGD	
CCCCN(C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C)[C@H](C)c1ccc(C)o1	914517855	BEWJTBGLLKKJPR-INKLHFNDSA-N	411.546	4.950	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc3ccccc3nc2N2CCCCC2)c1	915842887	LVKOHUMZFIQSNE-HKWRFOASSA-N	412.493	4.779	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(-c2ccccc2)n1	916140995	UITDWJFJMIKUGX-ATVHPVEESA-N	401.857	4.663	50	20	HJGD	
O=C(NN=Cc1cccc(OC2CCCC2)c1)c1ccc(F)cc1Br	917549828	GPNVKEYLMBWERP-UHFFFAOYSA-N	405.267	4.674	50	20	HJGD	
CCOc1cccc2cc([C@H](C)NC(=O)NNC(=O)c3ccc4ccccc4c3)oc12	918013548	KRWPXMILTNMQRA-HNNXBMFYSA-N	417.465	4.690	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc1	918581702	QMOLUTRHOSVJIR-VUODPORTSA-N	413.315	4.502	50	20	HJGD	
COc1ccccc1CC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1	920375928	JDARGSNMFPWDTO-UHFFFAOYSA-N	424.504	4.549	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2csnn2)c(C)n1-c1cccc2ccccc12	1321693192	HUERHOQUSHTDKO-YBFXNURJSA-N	414.490	4.749	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1	1325811471	VVRZTJNPCJABLX-JXAWBTAJSA-N	424.501	4.647	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(CCCc3ccccc3)o2)c(C)n1C[C@H]1CCCO1	1328432929	JRYGENJUCCTGGG-UAPYWLNTSA-N	416.525	4.906	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccco3)CCC2)cc1	1790488349	MIXFJHQVLCPVQO-DNVCBOLYSA-N	402.922	4.610	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)cc(C)cc2C)[nH]n1	1820860023	IQNSSZXPHVICEQ-AEFFLSMTSA-N	416.953	4.658	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1	1824015335	YYZAYNREGRMGDY-IHPCNDPISA-N	411.030	4.697	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccccc2-c2ccc(C)cc2)C1	1845442770	IGIUKRMPLPCFGN-JOCHJYFZSA-N	424.972	4.887	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1C	10872040	RQLCVXWYLQTBOE-XMHGGMMESA-N	416.481	4.906	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)n1C1CCCCC1	20670275	AMESMZCMSBRQAJ-RCCKNPSSSA-N	418.541	4.858	50	20	HJGD	
O=C(/C=C\c1cccnc1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	96988883	JHHPKXDXFRHTSB-XGICHPGQSA-N	423.925	4.502	50	20	HJGD	
N#Cc1ccc(NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1Cl	726435268	DJSPFULDCSNRAJ-UHFFFAOYSA-N	421.334	4.711	50	20	HJGD	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1)O[C@H](C)C2	730588407	XZWVRZXMBCLUHV-PUECVXPYSA-N	420.431	4.674	50	20	HJGD	
CC(C)(C)n1cc(/C=C(\C#N)C(=O)Nc2nccs2)c(-c2ccccc2Cl)n1	731155786	SVBGRITWZBETEO-JLHYYAGUSA-N	411.918	4.961	50	20	HJGD	
COc1cccc(NC(=O)NNc2ccc(Br)cc2C(F)(F)F)c1	731487258	HWQMNPKMYNEBHR-UHFFFAOYSA-N	404.186	4.625	50	20	HJGD	
CCOC[C@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)C1	733763493	XPGDJFLOICUKSK-KUOTXRDYSA-N	405.542	4.585	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc1	734815434	NAWDUDKOQLGJCR-SSQLKXLMSA-N	410.539	4.678	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2cccc(C(F)(F)F)n2)c(C)n1CCC(C)C	740127994	IFBZEKWKLZUMRV-GZTJUZNOSA-N	419.451	4.615	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F	741658797	GLGOZVJPYWHANV-SNVBAGLBSA-N	419.230	4.967	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1c(F)cc(F)cc1Br	741981557	PMXNDSILQMCEMD-UHFFFAOYSA-N	420.257	4.798	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C)Sc2ccccc2)c1C	742788698	VOWOOWFSJFOWET-NLGBDXGFSA-N	411.571	4.516	50	20	HJGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cc(Cl)ccc2Br)c1C	743427945	FYHKYZSOERENRX-ZDUSSCGKSA-N	409.711	4.637	50	20	HJGD	
O=C(NN=C1CCCc2nc(-c3ccccc3F)sc21)Nc1ccc(C(=O)O)cc1	743444753	SVIYPXJUERSZKV-UHFFFAOYSA-N	424.457	4.510	50	20	HJGD	
CCC(=NNC(=O)c1ccc(CN(CC)CC)o1)c1cc(Cl)cc(Cl)c1O	746491014	XYVICRCHBZUKCA-UHFFFAOYSA-N	412.317	4.678	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(OC)cc2)cc1	746883076	ORGNODRAZPMITN-UHFFFAOYSA-N	412.493	4.867	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Br)s1	746895614	WXTPFGVXCCDQDJ-QMMMGPOBSA-N	418.238	4.648	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	747609169	MWDCBEUIEVFDAV-UHFFFAOYSA-N	409.408	4.738	50	20	HJGD	
Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NNc1c(F)cccc1F	748171332	NQPIMQXPWGUHAB-UHFFFAOYSA-N	405.788	4.529	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(Br)cc2F)cc1Oc1ccncc1	748173917	MYYVYTDTEWXCCK-UHFFFAOYSA-N	416.250	4.841	50	20	HJGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNc1ccc(Br)cc1F	748202895	BZHWXCKGNZZAJY-UHFFFAOYSA-N	420.307	4.701	50	20	HJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1	748570921	OFVAOIKFIUDYQA-UHFFFAOYSA-N	415.515	4.683	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(CN2CCCC2=O)cc1	748669653	KIBTXBQYQWTSFQ-UHFFFAOYSA-N	407.539	4.759	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccccc1C(=O)c1ccccc1	748744436	SDLODXVRNUWFDH-UHFFFAOYSA-N	409.283	4.745	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccc(-n2nccc2C(F)(F)F)c1	752813123	RHWVHFSVUZWOJN-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(C#N)c(Cl)c2)cc1NC(=O)c1ccccc1F	753316361	BTPLBCYFGQDJFZ-UHFFFAOYSA-N	422.847	4.668	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)CCCSC(C)(C)C)cc2)cc1	754454009	YSYXOLMNZLOIIT-UHFFFAOYSA-N	420.600	4.583	50	20	HJGD	
CC[C@@H](C)Oc1cccc(NC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1	756212644	GVIADYLIJRQJTO-MRXNPFEDSA-N	423.469	4.502	50	20	HJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc(C#N)cc2)cs1	765980916	FHVRICARQPEMLF-VIZOYTHASA-N	403.379	4.562	50	20	HJGD	
Cc1ccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1C(N)=O	766548448	PUXXKJJXPOWTNC-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ccccc2C(F)(F)F)c1C	768750632	ZCHPTLAKQBKJGH-SMLKNPDNSA-N	420.431	4.982	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)O[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(-c2ccccc2)n1	771011657	UCGDURZKOVJNSD-AZIXPQMFSA-N	414.509	4.883	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Br)c(F)c2)ccc1OC1CCCC1	771682281	MGTLITQZIYEWOP-UHFFFAOYSA-N	423.282	4.675	50	20	HJGD	
CC(C)(C)Cc1nc(-c2ccc(C(=O)NNc3ncc(Cl)cc3Cl)cc2)no1	775266585	XNVZJPYEOSVMHX-UHFFFAOYSA-N	420.300	4.784	50	20	HJGD	
O=C(NNc1ncc(F)cn1)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1	775564918	AYXHBGOYMGZABM-UHFFFAOYSA-N	407.327	4.575	50	20	HJGD	
Cc1cccc(C(=O)NNc2ccc3ccccc3n2)c1NC(=O)c1ccccc1F	777465082	BJLADIRGHBKFGC-UHFFFAOYSA-N	414.440	4.692	50	20	HJGD	
N#C/C(=C\c1ccc2cnccc2c1)c1nc(O)c2cc(Br)ccc2n1	780003921	AKRUIBRSZLSATJ-OVCLIPMQSA-N	403.239	4.710	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccccn1	780843898	KENCIGWDSFTRHI-QFIPXVFZSA-N	404.514	4.803	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)C(=O)Nc1ccc2oc3ccccc3c2c1	783368477	WVVCHEGZEWHJAK-UHFFFAOYSA-N	414.248	4.975	50	20	HJGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)c1nc(O)c2c3c(sc2n1)CCCC3	787170422	YRRAKHIQKOXVCH-FLIBITNWSA-N	411.870	4.691	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(c2ccccc2)c2nc(C)cs2)c1C	790035567	GYQKKGIKZWUGSL-DEDYPNTBSA-N	420.538	4.788	50	20	HJGD	
Cn1nccc1[C@H]1CCCC(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)C1	790290604	QTMHDZPJRBPCTP-INIZCTEOSA-N	413.481	4.672	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(F)c3c2C(=O)C[C@H]3C)c1C	790444021	UCKRPTCIGFSTFW-WBVWMSPBSA-N	424.472	4.654	50	20	HJGD	
C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792883840	ZDLAFMJNZYEEBE-FQEVSTJZSA-N	418.698	4.894	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(F)cc(C(=O)OC)c2F)c1C	794237080	DDUWSFUPINXDPZ-CXUHLZMHSA-N	415.440	4.516	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)[C@H]1CCCOC1	794955180	YXZZUTKZZNWXQU-LPGQDOADSA-N	403.507	4.563	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)c(C)n1C1CCCCC1	813501582	DXZVZDDLCJIQGC-FNYFCEIWSA-N	407.558	4.877	50	20	HJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)Nc1nc(-c2ccncc2)cs1	814188199	WREMHLZTDCYAJS-LOXJZLIVSA-N	416.506	4.843	50	20	HJGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1OC	864926221	FYTBMOKBCGMIMO-KPKJPENVSA-N	421.678	4.665	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)CC(C)C)c(C)n1C[C@H]1CCCO1	914516836	CSOFBTXBTRULOS-TZPPZLRXSA-N	419.569	4.876	50	20	HJGD	
O=C(Nc1cccc(-c2nnc3n2CCC3)c1)NN(Cc1ccccc1)c1ccccc1	915340866	DNIVOZVRZSZRNC-UHFFFAOYSA-N	424.508	4.635	50	20	HJGD	
COc1ccc([C@H](CNC(=O)NNc2ccc(F)cc2)c2c[nH]c3ccccc23)cc1	915891951	ZMVKYFSEJQUJAS-NRFANRHFSA-N	418.472	4.774	50	20	HJGD	
O=C(NN=Cc1sc(Oc2ccccc2)nc1Cl)c1cc2c(s1)CCC2	915947394	SHEPMJMCVHFTQF-UHFFFAOYSA-N	403.916	4.903	50	20	HJGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2cc3cccc(C)c3nc2Cl)cc1	916338353	UIEXJIBLFWGGLP-OAHLLOKOSA-N	411.889	4.513	50	20	HJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1ccccc1C(F)(F)F	917040324	LDJNDMCFVIXWIN-GHXNOFRVSA-N	408.763	4.676	50	20	HJGD	
O=S(=O)(Nc1ccc(SCc2cccnc2)cc1)c1ccc(CCCl)cc1	917732367	SXJUEUJKOLARHD-UHFFFAOYSA-N	418.971	4.956	50	20	HJGD	
CN1CCC(N(C)c2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)CC1	918356586	HLZJKYCEZDUQSJ-FQEVSTJZSA-N	407.649	4.870	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ccccc3)cn2)c1C	918673577	LNZSOCOHWSJBOC-XNQWGTPPSA-N	414.509	4.920	50	20	HJGD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	921241475	QAQYEFJBBYAZPJ-XKZIYDEJSA-N	423.557	4.734	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCN(c3cccc(F)c3)CC2)c(C)n1CC(C)C	1116105242	VDJSMTKZUJKSLF-BKUYFWCQSA-N	422.548	4.592	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(F)c(F)c1	1341431746	LSWHPICSPGNEDA-NSHDSACASA-N	422.357	4.687	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(O)c3)CCC2)cc1	1790489163	SZNWMFNYQPYRKE-ACGJQVIASA-N	412.917	4.557	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1	725726272	SSNHPRAINLOVQH-LGDHNJMOSA-N	400.400	4.683	50	20	HJGD	
O=C(NN=Cc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)s1	727255986	GCXJIDYFRAHJOX-UHFFFAOYSA-N	411.630	4.947	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2CCc3c(Br)cccc32)cc1	727740703	ISLKBNAQIZZUEX-LFDGNKEFSA-N	411.299	4.558	50	20	HJGD	
COc1ccc(NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1	729273887	JKCWWJFPVJPQEU-UHFFFAOYSA-N	404.495	4.621	50	20	HJGD	
Cc1ccc(C2CC(=NNC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)C2)cc1	729817189	WFXIVBSEHDOPCO-UHFFFAOYSA-N	421.504	4.906	50	20	HJGD	
COc1ccc(/C=C\C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1	731478056	YOZKCNTUJFMRMH-WTKPLQERSA-N	415.209	4.633	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(C)(C)C)CC(F)(F)F)c1C	731990788	IQEPZGZOPVBODZ-FNMPFJKNSA-N	413.484	4.656	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C)c1ccccc1	732241587	AZDMNNXEQNRZRQ-LPHOPBHVSA-N	422.554	4.704	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)C(=O)Nc2ccccc2)c(C)n1C1CCCCC1	732542313	KMUZOUDSHDWSRS-ISPGYRLHSA-N	418.541	4.661	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3cccnc3)c(C)c2)cc1	732714468	UJFGQUTVEVFERI-UYRXBGFRSA-N	412.449	4.686	50	20	HJGD	
CCn1cc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cn1	733785056	PGLCDVQVUHDIKA-JMIUGGIZSA-N	421.932	4.530	50	20	HJGD	
C[C@@H](CCC(C)(C)C)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	736258812	PKGZTNIJHIKLCN-XTFSCAMASA-N	403.530	4.702	50	20	HJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cn(-c4ccccc4)nc3-c3cccnc3)nc12	741472933	MABNSRQBRWJUJQ-PDGQHHTCSA-N	403.449	4.578	50	20	HJGD	
O=C(NNc1cnccn1)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	743412792	SDKGYMAYUPVBMJ-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(OCC3CC3)CC2)c1C	743789354	ZLJFJWNNBCMQRX-HZHRSRAPSA-N	417.553	4.727	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1cc(-c2cccc(Cl)c2)on1	748076509	GXBGGCOICREXHS-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
COC(=O)c1ccoc1CSc1ccccc1C(=O)NNc1cc(C)ccc1F	748786872	QYPBYSQPPOVKJH-UHFFFAOYSA-N	414.458	4.563	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3nc(C)cs3)cc2)c1C	751235565	CEOBDBIPACVBTE-NDENLUEZSA-N	420.538	4.729	50	20	HJGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1	755777909	QLSCTJQNAMPAOF-QGZVFWFLSA-N	423.538	4.758	50	20	HJGD	
O=C(Nc1ncc(C2CCCCC2)s1)C(=O)NN(c1ccccc1)c1ccccc1	756173306	HHBVXXCNXVLZAT-UHFFFAOYSA-N	420.538	4.999	50	20	HJGD	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NNc1cc(F)c(F)cc1F	757140240	BQTMQBVNDBSICJ-UHFFFAOYSA-N	414.309	4.578	50	20	HJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1	757390061	UQJXHRPBCFKYAQ-UHFFFAOYSA-N	412.371	4.830	50	20	HJGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@H]1C	758098284	CCNHFBIQXNEDES-CXAGYDPISA-N	402.491	4.639	50	20	HJGD	
CC1(C)CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@H]1C(=O)O	766329023	RSVHFDCRMSCDCP-LBPRGKRZSA-N	423.425	4.608	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(Br)c(Cl)c1F	768092944	AZGMXIZWNZLYMX-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CC[C@H](C)n1c(SCC(=O)NNc2c(C)cccc2F)nnc1-c1ccccc1	771700343	HHNBTJNKWFLVMR-HNNXBMFYSA-N	413.522	4.599	50	20	HJGD	
O=C(NCc1ccc(F)c(F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772971549	MJYGAYPCMHNCLQ-UHFFFAOYSA-N	416.318	4.877	50	20	HJGD	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNc1nc3ccccc3cc1C)O[C@@H](C)C2	777479533	ZEUBQDFWKWAPJL-QSFXBCCZSA-N	417.509	4.512	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3sc(C)nc3c2)c1C	781203506	RJKSKENGRVYVLK-RMNBPEERSA-N	408.527	4.776	50	20	HJGD	
O=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc2c(c1)OCCO2	781660220	LYTSAJCJVRVYKG-UHFFFAOYSA-N	417.377	4.916	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1	782451968	XJVRNNNMXSPRSH-BRYHAGSVSA-N	421.428	4.794	50	20	HJGD	
N#C/C(=C\c1csc(COc2ccccc2)n1)C(=O)NCc1cccc(Cl)c1	786044050	FCUMZRDAURCUDO-MHWRWJLKSA-N	409.898	4.599	50	20	HJGD	
CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)/C(C#N)=C\c1ccc(O)cc1	787048538	HTLMLTODWLYVRS-PGMHBOJBSA-N	414.509	4.561	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1	787315852	YSAUOOIOTGQJMY-LICLKQGHSA-N	406.388	4.795	50	20	HJGD	
N#C/C(=C\c1cscc1Br)C(=O)Nc1nc(-c2ccncc2)cs1	794688093	WQKCFNMYTQTTRX-VZUCSPMQSA-N	417.313	4.575	50	20	HJGD	
CC(C)c1nnc2ccc(NC(=O)NN(Cc3ccccc3)c3ccccc3)cn12	801741583	RJVWGRBWXQDBSK-UHFFFAOYSA-N	400.486	4.596	50	20	HJGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)c1cccc(C(=O)c2ccccc2)c1	802021896	CVYUZKOUSKTEHE-HNNXBMFYSA-N	421.884	4.527	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2ccoc2C)cc1OC	810208131	SHNHBNLDHPMBFY-ZSOIEALJSA-N	402.244	4.714	50	20	HJGD	
COCC1(CCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCC1	815822413	HARHGRNCLICJBH-UHFFFAOYSA-N	416.412	4.606	50	20	HJGD	
N#C/C(=C/c1ccccc1OCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1	819841897	FRAJNFNEKLGUFS-MOSHPQCFSA-N	410.882	4.652	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C	843130995	WBSCXMQBIFCSCI-FVTUNSQFSA-N	421.328	4.747	50	20	HJGD	
CC(C)n1ncc2cc(C=NNC(=O)c3cc4c(s3)CCCCC4)c(Cl)nc21	874091279	YFSUDJLWKZWHQR-UHFFFAOYSA-N	415.950	4.760	50	20	HJGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc(-c2ccccc2Cl)nc2ccccc12	915919830	IVQOQKUSHNBXEQ-UHFFFAOYSA-N	420.812	4.820	50	20	HJGD	
O=C(CC(F)(F)F)NNC(=O)c1oc2ccccc2c1CSC1CCCCC1	918363625	AGLZJJGUGSWSBF-UHFFFAOYSA-N	414.449	4.712	50	20	HJGD	
Cc1csc(Sc2ccc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)cc2)n1	918630222	PSDZQMNWBNMPGG-PXNMLYILSA-N	419.535	4.667	50	20	HJGD	
CN(N=Cc1cc(Br)ccc1OCc1ccccn1)C(=O)OC(C)(C)C	920377538	BLVLZFJBECUXAQ-UHFFFAOYSA-N	420.307	4.624	50	20	HJGD	
Cc1csc(CCC(=O)NC2(c3ccc(NC(=O)[C@@H](F)Cl)cc3)CCC2)c1	1788582134	AOSOJOMHOYVWOH-GOSISDBHSA-N	408.926	4.658	50	20	HJGD	
C[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1)c1ccccc1	1788587793	NKGMEQFHQNLUEK-QRWLVFNGSA-N	402.897	4.849	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)[nH]n3)cc2)CCC1	1790126466	GYFXMUXLCLDHSS-KRWDZBQOSA-N	416.953	4.688	50	20	HJGD	
CC(C)(C)CCCCCC(=O)N1CCC2(CCCN(C(=O)[C@@H](F)Cl)C2)CC1	1810912953	NVWYIMUDCSCIAN-GOSISDBHSA-N	402.982	4.749	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)[nH]n1	1815315010	RKOISGHOMQGOFZ-WDYCEAGBSA-N	420.916	4.520	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1	1818453382	NTKNYURSLOWDOM-AZUAARDMSA-N	424.932	4.886	50	20	HJGD	
Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	7633977	FDDRYMROFNVEAS-CNSRZQHFSA-N	421.541	4.855	50	20	HJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCC2)cc1	58536741	JWVLPUWCNPKINW-CYVLTUHYSA-N	412.493	4.514	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1	97135735	HXWDXJOLZXUMQA-HAHDFKILSA-N	412.489	4.888	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCCO2	727264253	PIAPTOYJXGMXOV-KPKJPENVSA-N	408.763	4.676	50	20	HJGD	
N#C/C(=C\C1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)N(CC(F)(F)F)C1CC1	732714549	AFZBAIRIKPILAG-UUILKARUSA-N	417.214	4.772	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cc3c(Cl)cccc3s2)c1C	734257027	ZAAVQDKENZJNGK-UHFFFAOYSA-N	409.902	4.780	50	20	HJGD	
N#C/C(=C\c1ccc(-c2c(F)cccc2F)o1)C(=O)N1CCn2c1nc1ccccc12	734484393	WRTHASUPSRFBCY-WYMLVPIESA-N	416.387	4.528	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](CC)C(=O)c2ccc(OC)cc2)c1C	738590400	IPZUTOKHKRGABY-FGGAIWKESA-N	408.498	4.635	50	20	HJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)ccc1OC(C)C	741620909	XWIJOKIGCZPAEH-RQLGBQGVSA-N	421.541	4.925	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c1C	741974769	YQWLJRVPGNBOQC-WOTVISPRSA-N	419.569	4.872	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc(Cl)cc(Br)c1	747580470	QFSSKQMYPFEUCN-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NNc1ccc(OC(F)F)cc1	748654190	GHFVBYHVGRCZMV-AWEZNQCLSA-N	413.424	4.589	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H](C)c1ccc(Br)s1	748736882	JKUXTILMDKEUPA-VIFPVBQESA-N	418.154	4.828	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H](Cn2ccnn2)C1	752981565	SDBSPCUPVMTIMC-LBPRGKRZSA-N	411.400	4.880	50	20	HJGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1c(Cl)cc(Br)cc1Cl	754053728	VRBDSRQOUNNOPR-SSDOTTSWSA-N	421.122	4.998	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1ccccc1Oc1cccc(F)c1	756164712	BATHBYDDMBTWIJ-UHFFFAOYSA-N	416.412	4.633	50	20	HJGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1sccc1C(N)=O	762408813	FSAWOWLYWINOQG-QMMMGPOBSA-N	415.409	4.944	50	20	HJGD	
CS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762663808	FQNTULMRIWBBBJ-MNOVXSKESA-N	404.426	4.683	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(Cl)c(F)c2)c1C	762722122	CCYMJFLCLJBNAY-RPJLVFAOSA-N	417.912	4.670	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)c1C	763609906	DCRVFNGWKFMMAA-YBEGLDIGSA-N	407.440	4.511	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1cc2sc(Nc3ccccc3)nc2s1	766671414	KPDYZSHJHMGGRD-UHFFFAOYSA-N	424.536	4.863	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@H](CCO)c1ccccc1	773368543	SWUDJZNFUFALOT-OAHLLOKOSA-N	424.391	4.522	50	20	HJGD	
CC(C)Cn1cc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cn1	777633940	ZDMUGWXQBUNPAF-UHFFFAOYSA-N	405.414	4.997	50	20	HJGD	
COc1ccc2nc(NNC(=O)c3ccccc3C(=O)c3cccs3)c(C)cc2c1	778475399	CVXGBIUEODIQMW-UHFFFAOYSA-N	417.490	4.601	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	787051379	XGWQRSZBPQCZFY-BRBKRDGESA-N	406.844	4.997	50	20	HJGD	
C[C@@H]1OCC[C@]12CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CCO2	791863087	RVWAIEABNGJFCX-NHYWBVRUSA-N	402.385	4.756	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	792636141	PRNFRDDOEZFNBD-LICLKQGHSA-N	423.947	4.560	50	20	HJGD	
C[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@]2(CCOC2)O1	797645643	SNOADGSSMLBJPI-ABAIWWIYSA-N	402.385	4.756	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	798142116	HJOPNPDYRXHVPZ-UHFFFAOYSA-N	418.888	4.621	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc(Oc2ccccc2)cn1	799415181	WATPAUYALCSNJN-UHFFFAOYSA-N	406.511	4.629	50	20	HJGD	
COc1cc(C)c(Br)cc1C(=O)NNc1cccc(C(F)(F)F)c1	802823501	RZDWDTIGEJXAQK-UHFFFAOYSA-N	403.198	4.542	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc(OC)c1OCC(F)F	809145557	AEPDAKHSJOTVGJ-MKMNVTDBSA-N	407.800	4.791	50	20	HJGD	
C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(N2CCCOC2=O)cc1	814356162	UAPISJYAFAICFC-QAPCUYQASA-N	408.589	4.925	50	20	HJGD	
C[C@@H]1CC(=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC[C@@H]1C(=O)O	814714148	SXHQKXQBONTZHK-KDOFPFPSSA-N	419.456	4.648	50	20	HJGD	
CC(CCc1ccc(OCCC(=O)O)cc1)=NNC(=O)c1ccc(C(C)(C)C)cc1	814742027	WSFIVAGTIOGBOP-UHFFFAOYSA-N	410.514	4.576	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cccc(F)c1Br	815855609	AYMWDEIOSAEEAK-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc([C@H](C)CC)cc2)cc1	849205057	MZHNSOCLSZFDFM-HDAKKWKLSA-N	406.482	4.688	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(N3CCCCC3)nc2)c1C	915707071	DGZZJXRVKFBFFA-HZHRSRAPSA-N	419.573	4.514	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c2ccccc2n1	916518115	IOMKILIFIKFZOJ-NRFANRHFSA-N	422.504	4.804	50	20	HJGD	
Cc1ccc(OCc2nc(C=NNC(=O)[C@@H](C)Oc3cccc(C)c3C)cs2)cc1	920369122	SOTUDHMUQSAHLB-GOSISDBHSA-N	423.538	4.565	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)CN(CC)CC)cc2)CCC1	1791060604	AFTFEUHYYVZKND-XLIONFOSSA-N	422.013	4.506	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1815317847	KFHIBCXUSRUISP-FUHWJXTLSA-N	408.974	4.780	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2C)CC1	1830314953	QVHKYDYIMUHYTH-RTWAWAEBSA-N	404.982	4.554	50	20	HJGD	
CCCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC	69009101	GGRXGFCFGGFHTK-GDNBJRDFSA-N	400.862	4.692	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cs2)cc1	141397112	KLYCRQOWPUANND-BOPFTXTBSA-N	419.506	4.893	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCc2cccc(OC3CCCC3)c2)c(C)c1	727864620	PUGXHMSAPUDCCC-UHFFFAOYSA-N	411.571	4.575	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)Cc2ccccc2C)c1C	728183830	UHVOCKRJBILFAS-VFOSSOBBSA-N	407.558	4.665	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1csc2ccccc12	730021226	BPHQAFHPFWHNQO-OLZOCXBDSA-N	413.568	4.793	50	20	HJGD	
Cc1cccc(Oc2ccccc2CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)c1	730224590	WZXHAHPDRXAUDL-CIAFOILYSA-N	410.477	4.529	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cccc2cccnc12	731479034	NYWYUUAECDCJIM-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)CCCCc1ccc(Br)cc1)c1ccccc1	731996779	FDGWGZWDHCCTJW-IBGZPJMESA-N	417.347	4.503	50	20	HJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3cccc(C(F)(F)F)n3)s2)cc1	740132423	GJBLYMCMQPVYHB-UHFFFAOYSA-N	422.432	4.688	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1cccc(C(F)(F)F)n1	740139956	AYERITHKMVIYLI-UHFFFAOYSA-N	414.746	4.613	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	743484721	ALXFQYOCPAFXHG-UHFFFAOYSA-N	411.305	4.942	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc(F)c(Br)c2)cc1	743819975	AGGRQTBQOWXLEC-UHFFFAOYSA-N	424.339	4.562	50	20	HJGD	
COc1ccccc1[C@H](NC(=O)NNc1ccc(Cl)nc1)c1ccccc1Cl	745842980	WIRRORWQHKMHEY-LJQANCHMSA-N	417.296	4.813	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C(=O)NNc3ccc(Cl)c(F)c3)c2Cl)cc1	746698439	GLWCIZWRTPJWAM-UHFFFAOYSA-N	407.276	4.751	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccccc3)on2)c1C	747987512	KSJPUDQWMWJOCU-VBNMEBLOSA-N	404.470	4.513	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2coc(-c3ccc(C)cc3)n2)c1C	749885754	FSSTYGBDXYPQOC-LICLKQGHSA-N	403.438	4.562	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC#N)c(C)n1-c1cc(Cl)ccc1Cl	751393332	SJTOBCJDTHCIHZ-GFQQVXNGSA-N	401.297	4.726	50	20	HJGD	
CCCCc1nc(C=NNC(=O)c2ccc(Br)cc2Cl)c(Cl)[nH]1	755701898	UEGOGMQFXDLHSG-UHFFFAOYSA-N	418.122	4.586	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OC2CCN(CC(F)F)CC2)c(C)n1C1CCCCC1	755862021	LJRHYXZQSVYXQA-CPNJWEJPSA-N	419.516	4.790	50	20	HJGD	
O=C(O)c1ccc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	762456613	KMFOZVDYQJHHIS-UHFFFAOYSA-N	403.350	4.843	50	20	HJGD	
O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)Nc1ccc(-c2ccccc2)cc1	763265789	MIUIQPCAZIYYHZ-UHFFFAOYSA-N	422.435	4.673	50	20	HJGD	
CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C(\C#N)c1nnc2n1CCCCC2	763289807	KFCQAADIGUOMKV-XMHGGMMESA-N	400.530	4.611	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCCC(=O)O	763373051	HZYLEAVPPJBXCJ-QGOAFFKASA-N	407.466	4.636	50	20	HJGD	
N#C/C(=C\c1cc(Br)cc2c1OCC2)C(=O)Nc1ccccc1Cl	764889049	VARUAYZMZAQQQB-NTUHNPAUSA-N	403.663	4.583	50	20	HJGD	
O=C(NNC(=O)c1c(F)cccc1Sc1ccc(Cl)cc1)c1ccccc1F	764956584	WNEAOCSWSMEFEC-UHFFFAOYSA-N	418.852	4.844	50	20	HJGD	
C[C@@H]1CCC[C@@H]1CC(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	769315825	SHFFVSVYYSCYEF-GHMZBOCLSA-N	407.426	4.975	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@]3(C2)OCc2ccccc23)c(C)n1CCC(C)C	770036871	DKOIFZKLDIGVKP-ARLGEPFESA-N	417.553	4.716	50	20	HJGD	
C[C@@H](CBr)CN1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1	770666515	MFGBTUGSFALVLN-AWEZNQCLSA-N	407.318	4.633	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cccc(NC(=O)c2ccccc2)c1	775512975	VACHEXPKMUPFKF-UHFFFAOYSA-N	415.375	4.501	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)C1(c2ccc(Br)cc2)CC1	779200422	CCIKKRCUOAEJSQ-UHFFFAOYSA-N	415.209	4.523	50	20	HJGD	
O=C(NNc1ccnc(F)c1)c1ccccc1Oc1cccc(Br)c1	781361120	QMLFJPINQJPXQD-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
CN(Cc1ccc(O)cc1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782979155	HQIFJQOEMUUCHL-UHFFFAOYSA-N	403.394	4.870	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1c(F)ccc(Br)c1F	784546731	MTYBINBXBNPFGY-UHFFFAOYSA-N	414.008	4.930	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Cl)cc2Cl)cc(Br)c1OC	786426547	ISBJGDIUZJUDMD-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H]2CCOc3c(C)cccc32)c1C	789500347	QEGDJDDPTPNALB-NOIBUUJFSA-N	408.498	4.595	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1C	789999833	STUFXBWYHRYMEV-DHDCSXOGSA-N	423.847	4.552	50	20	HJGD	
COCc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)no1	794860524	NWMJZWQSOVEKFZ-UHFFFAOYSA-N	415.902	4.531	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1c(F)cc(C(F)(F)F)cc1F	810687376	MDVORBHYRVVTAX-UHFFFAOYSA-N	409.152	4.811	50	20	HJGD	
CCOC(=O)c1csc([C@@H]2CCCN2Cc2ccc(OCCCCl)cc2)n1	811495097	CLLHNPFQEHXSAM-SFHVURJKSA-N	408.951	4.665	50	20	HJGD	
O=C(CCSc1ccccn1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016031	CMIMCQFJFWLBKX-UHFFFAOYSA-N	409.355	4.745	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)OC2CCCCC2)cc1OC	834751653	QGOIFWLZHHNARE-GDNBJRDFSA-N	420.303	4.805	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1	857500398	QPNWLQHYMYJHAF-JOCHJYFZSA-N	421.928	4.961	50	20	HJGD	
Cc1ccccc1C(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1cccs1	916361928	NKSRHBAPDTUGNS-UHFFFAOYSA-N	400.507	4.732	50	20	HJGD	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=O)c2ccccc2C)cs1	916361996	NOGLTYXAMJJZEB-UHFFFAOYSA-N	406.511	4.517	50	20	HJGD	
CC(C)CCN(C(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CC1	918434744	XFGXECFGCLVSFP-QGZVFWFLSA-N	422.900	4.882	50	20	HJGD	
CCCCOc1ccc(-c2nnc(COC(=O)/C(C#N)=C\c3ccc(C)cc3)o2)cc1	918880364	JPFZIQOAWJHOTH-ZHZULCJRSA-N	417.465	4.874	50	20	HJGD	
C[S@](=O)c1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	1320281970	JBRMZHIJHFHWAC-QHCPKHFHSA-N	421.434	4.882	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N(C)C)cc3)CCC2)cc1	1790488348	AWFFTZOLQLGFCQ-HXUWFJFHSA-N	413.949	4.518	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCCn3cccc3)cc2)CCC1	1791899582	DAXYZYQAPAFDDN-HXUWFJFHSA-N	415.965	4.810	50	20	HJGD	
C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCCCl)C2	1804185889	WPJGQCSEXWFIGP-WKCHPHFGSA-N	409.014	4.788	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1	1815321387	VTUFERVXMCJCRG-WBVHZDCISA-N	423.344	4.777	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1	1824618614	KDBBJJSWQLMSIH-NXWZEKHHSA-N	423.041	4.984	50	20	HJGD	
COc1ccc(C(=O)NNC(=S)Nc2cccc(C)c2C)cc1-c1ccccc1	51342298	CAXUFLQTCKRASE-UHFFFAOYSA-N	405.523	4.610	50	20	HJGD	
Cc1ccc(-c2ncc(C(=O)NNC(=S)Nc3cccc(C)c3C)s2)c(C)c1	61620590	FRZDRUKZASKWHD-UHFFFAOYSA-N	410.568	4.675	50	20	HJGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3c(C)cccc3C)o2)cc1	98067978	OQMFFEBWDUDWOY-UYRXBGFRSA-N	400.434	4.896	50	20	HJGD	
N#Cc1cccc(OCc2ccoc2C(=O)NNc2cccc(C(F)(F)F)c2)c1	728717082	RJKKXRODEVSQAK-UHFFFAOYSA-N	401.344	4.506	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)cc(C#N)n1C	729360830	WJJWIEDJHXCBPP-XKZIYDEJSA-N	417.472	4.966	50	20	HJGD	
N#C/C(=C\c1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)Nc1ccc(F)cc1	732713439	DEUJZGDBMCZXPB-UKTHLTGXSA-N	411.234	4.524	50	20	HJGD	
O=C(NNC(=O)C1CCSCC1)c1ccc(CSc2ccc(Cl)cc2)cc1	732931749	FPWARWJTAGUEMT-UHFFFAOYSA-N	420.987	4.537	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCCO[C@@H]2CCCc3ccccc32)cc1	733779073	FLKKGDCHTXVYAB-FGNRIPBJSA-N	404.510	4.593	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1sccc1Br	733808297	NFKOSEYYIJSPAE-UHFFFAOYSA-N	410.518	4.683	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)c1nc2c(C)ccnc2[nH]1	741469143	IZAHZPWHGBKTOP-LICLKQGHSA-N	402.889	4.846	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2C)c1C	746343941	GDNYHWUMOZZYOD-LICLKQGHSA-N	405.420	4.624	50	20	HJGD	
O=C(CCCCc1nc2ccccc2s1)NNc1ccccc1Br	748059754	BWVHMEIFCRGYIO-UHFFFAOYSA-N	404.333	4.915	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc(-c2cccnc2)nc2ccccc12	748059976	IERYAEKGFYPQDK-UHFFFAOYSA-N	419.282	4.816	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1C(=O)NNc1ccc(F)cc1Br	748077229	KARACNXLMHASHQ-UHFFFAOYSA-N	424.270	4.692	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)NC(=O)OCc1ccccc1	748670851	XCJYRAKBDHHRCO-HNNXBMFYSA-N	411.527	4.638	50	20	HJGD	
Cc1c(NNC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cccc1[N+](=O)[O-]	748673724	PAQGNFZWQKXCTN-LSDHHAIUSA-N	408.483	4.706	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)c1C	749536781	XHBGLSCKBZHMLR-IBGZPJMESA-N	409.921	4.692	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1cc2ccccc2o1	749822935	FSUZVEFEYQQQJO-UHFFFAOYSA-N	413.264	4.998	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1	752055994	BAWRQTKEYFFDEO-QGOAFFKASA-N	412.424	4.598	50	20	HJGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	756166570	WLUMHSGJJJEZNR-UHFFFAOYSA-N	400.866	4.593	50	20	HJGD	
Cc1ccc(CNC(=O)CCCC[C@H]2CCSS2)c(OC[C@@H]2CCCO2)c1	758160910	AYSJUHHFHCIJFV-OALUTQOASA-N	409.617	4.883	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@H]1C[C@H]1c1ccccc1	762642492	SQQDAIKJFLVATD-GJZGRUSLSA-N	406.376	4.955	50	20	HJGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	762976247	PADQJTBDIRCQSB-UHFFFAOYSA-N	406.336	4.682	50	20	HJGD	
CN(C)c1ccc(-c2cncc(C(=O)NNc3c(Cl)cccc3Cl)c2)cc1	763616758	ZONMCFZRALRHGI-UHFFFAOYSA-N	401.297	4.878	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2c(F)cccc2Cl)nn1-c1ccccc1Cl	770198458	SWLLGYPHXZRFHT-UHFFFAOYSA-N	408.264	4.594	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)NNc2nccnc2C(C)C)cc1F	770265406	JSTKPEWANPVFNU-UHFFFAOYSA-N	411.437	4.689	50	20	HJGD	
O=C(CCOc1ccccc1-c1ccccc1)NNc1ccc(C(F)(F)F)cn1	775242994	DUSWFTKTGRPROQ-UHFFFAOYSA-N	401.388	4.680	50	20	HJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	775483848	DWABGIOXMQPZGQ-UHFFFAOYSA-N	412.342	4.881	50	20	HJGD	
COc1ccc2nc(NNC(=O)CCc3nc(C)c(-c4ccccc4)o3)c(C)cc2c1	778481406	LOKSMMCAMRHTHZ-UHFFFAOYSA-N	416.481	4.591	50	20	HJGD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NNc1ccc([N+](=O)[O-])cc1Br	779135929	INRUFGPVXLIRQT-UHFFFAOYSA-N	423.654	4.557	50	20	HJGD	
N#C/C(=C\c1cccn1Cc1ccccc1C#N)C(=O)c1ccccc1OC(F)F	782196539	BQBVTKHQWPDFTB-LDADJPATSA-N	403.388	4.799	50	20	HJGD	
CN1CCCC[C@H]1CCN(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981468	QALMUUGCNBUUMF-ZDUSSCGKSA-N	422.485	4.839	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)ccc1OC(F)F	786055098	ARYAXFUPKRANBI-OVCLIPMQSA-N	406.816	4.563	50	20	HJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccncc2)cc1	788349253	HGHHFCWZEWCVBU-CQHJRZBDSA-N	424.508	4.918	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)c(-c2ccncc2)n1	788353993	DFZMKBNRRYSRKQ-LZYBPNLTSA-N	422.275	4.955	50	20	HJGD	
Cn1ccnc1[C@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1	790128882	FKCOXDHXCDTVPU-MRXNPFEDSA-N	424.719	4.796	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)O[C@H]2C=CCCCCC2)c(-c2ccccc2)n1	793398362	IYRZWJHMVHFPHL-IEGWWLFISA-N	400.482	4.803	50	20	HJGD	
CN(C)c1ccc(C=NNC(=O)CCSc2ccc(F)cc2)c(C(F)(F)F)c1	794481515	OZMJNGBCBLOSGB-UHFFFAOYSA-N	413.440	4.543	50	20	HJGD	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)[C@H]1CCCOC1	794955179	YXZZUTKZZNWXQU-IZILLXMLSA-N	403.507	4.563	50	20	HJGD	
O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)NN(c1ccccc1)c1ccccc1	799259967	HZAIGEAJEXNKAR-UHFFFAOYSA-N	418.255	4.941	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C	799757562	ZGOFCDIGZJTIMW-UHFFFAOYSA-N	402.420	4.827	50	20	HJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	800683404	VCXOPDGDUCHNBX-GFCCVEGCSA-N	400.210	4.905	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(F)c(C(F)(F)F)cc1F	804468601	UCADUBMJOQVOJB-UHFFFAOYSA-N	414.252	4.682	50	20	HJGD	
Cc1c(NC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)ccnc1Cl	810294413	ZRBSSXPXYKSCLC-UHFFFAOYSA-N	422.798	4.668	50	20	HJGD	
C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1ccc(OCCCCl)cc1	811497895	XRHAGAOBZHEXCY-KRWDZBQOSA-N	402.922	4.844	50	20	HJGD	
COC(=O)c1nc([C@H]2CCCN2Cc2ccc(OCCCCl)cc2)sc1C	811498053	JMCHYRQQNZXFIS-QGZVFWFLSA-N	408.951	4.583	50	20	HJGD	
COc1ccc(NNC(=O)c2cccc(Oc3ccncc3)c2)c(C(F)(F)F)c1	816702321	IVUUMBYNJRCSHY-UHFFFAOYSA-N	403.360	4.658	50	20	HJGD	
O=C(CCC(=O)c1cccs1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015905	WOIQGWHMQIOYPI-UHFFFAOYSA-N	410.339	4.892	50	20	HJGD	
COCCN(Cc1ccco1)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	914744887	RPXGXOHXUPYCQU-QNGOZBTKSA-N	409.530	4.785	50	20	HJGD	
CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccccn1	915908779	OFMXTVKXMBAOGU-UHFFFAOYSA-N	420.472	4.549	50	20	HJGD	
COc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1OC1CCCC1	917736394	LBOUWIOETWUIDB-UHFFFAOYSA-N	409.935	4.599	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccccc1C(F)(F)F)c1nc2ccccc2n1C(F)F	918199555	HBNUDJJAKQDVQK-SNVBAGLBSA-N	413.350	4.838	50	20	HJGD	
CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCCC[C@@H]1CCSS1	918703468	ZNZOOBFCSQTNFJ-VQTJNVASSA-N	407.649	4.609	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2cccc(C(=O)O)c2)c1)C(=O)Nc1ccccc1F	1251693349	DBSQCUJWBHLCDO-YBFXNURJSA-N	416.408	4.649	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc([S@](C)=O)cc2)c(C)n1C1CCCCC1	1339532554	GNGPROCGQWIBKJ-SYWJLKIRSA-N	409.555	4.893	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2)CCC1)[C@H](F)Cl	1786030477	WJBYMJJDDQUNBV-QRVBRYPASA-N	418.871	4.598	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1	1815324705	UXDPRYIDORUOGR-WJPUGNRLSA-N	406.958	4.556	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2ccc(C)cc2)n[nH]1	1822064151	BQXDORNAWZKNNR-HHXXYDBFSA-N	416.953	4.531	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccncc2)cc1	7907163	UZBBVYADKOARRN-HMMYKYKNSA-N	405.461	4.788	50	20	HJGD	
CC(/C=C(/C#N)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1)=C\c1ccccc1	212641066	CZSVWLZUIHJZOW-CCJRVLTRSA-N	403.463	4.713	50	20	HJGD	
COc1ccc([C@H](CNC(=O)CCCC[C@H]2CCSS2)N2CCCC2)cc1	302709084	MEUWAXSBLAGUET-PMACEKPBSA-N	408.633	4.662	50	20	HJGD	
O=C(NN=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2ccc(F)cc2)s1	725841760	GKHFEWAMUWTPOR-UHFFFAOYSA-N	404.470	4.563	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc3c(s2)COCC3)c(C)n1C1CCCCC1	727719892	CDEFXUZCEVTBCZ-GZTJUZNOSA-N	410.543	4.685	50	20	HJGD	
CC[C@H](CC(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1	728962384	RLRGYVHGRMDZHG-LJQANCHMSA-N	422.550	4.855	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccc(Cl)cc2)n1)C(=O)N(CC(F)(F)F)C1CC1	732715115	LEQSTYVMQPLIKO-KPKJPENVSA-N	411.836	4.924	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2ncccc2Cl)cc1	734247664	UYMUYIIEIIWVMS-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NNc1nccc2sccc12	734248881	ZUIFOBWYPMPRRI-CQSZACIVSA-N	404.495	4.597	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@@H](SCc2ccccc2)C(C)C)c1C	734255498	CKXIJFHURSUGAS-FQEVSTJZSA-N	421.570	4.557	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)c1C	735020076	VQFOHGMBAARGCF-UCQKPKSFSA-N	420.557	4.818	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1Cl)NNc1c(F)cc(F)cc1Br	741979018	WYVQBUITFBLZRI-UHFFFAOYSA-N	410.045	4.720	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1oc(C(C)C)nc1C#N	746298855	KVHYQOBYRIZCDY-UHFFFAOYSA-N	401.879	4.512	50	20	HJGD	
CC(C)Oc1cc(Br)ccc1C(=O)NNc1ccc(Cl)c(F)c1	746701368	WFGNBBWBWGYSPE-UHFFFAOYSA-N	401.663	4.786	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cnc2c(cnn2Cc2ccccc2)c1	748008752	XSMRRXIMDAFNIN-UHFFFAOYSA-N	412.280	4.543	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(OC)c(O[C@@H](C)CC)c1	749454008	XFICALKMHWJPEO-BGARDKSCSA-N	424.497	4.784	50	20	HJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	755406289	AJRBLBVOAHLPAC-XGICHPGQSA-N	415.833	4.559	50	20	HJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC(=O)c2cc3c(s2)CCC3)c1	759648744	PRAFMVJJFWBEPS-UHFFFAOYSA-N	422.554	4.628	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cnn(-c2ccccc2)c1C(F)(F)F	763617478	LYRATKKJTLVRIK-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1c[nH]nc1-c1c(F)cccc1F	768008231	YJHYCURVZTZGNH-UHFFFAOYSA-N	401.175	4.558	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc(Br)c1O	774557345	DKVKGTQJROBMMJ-VGOFMYFVSA-N	403.232	4.834	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](CC(F)(F)F)c1ccccc1C)c1ccccc1	775181578	PBVJUSYKBYOBPP-SJLPKXTDSA-N	407.436	4.513	50	20	HJGD	
Cc1cccc(C=NNC(=O)c2ccc(Br)cc2Cl)c1OC(F)F	777886549	ZMJLICBJHQZWLG-UHFFFAOYSA-N	417.637	4.776	50	20	HJGD	
Cc1nc(-c2cccs2)c(CC(=O)NNc2ccccc2OC(F)(F)F)s1	779209712	QQCGLGGDFMJHDP-UHFFFAOYSA-N	413.446	4.764	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1	781553760	XEXGFVTYPGJBPW-ODLFYWEKSA-N	406.438	4.849	50	20	HJGD	
COc1ccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1F	782984131	QUVINKONUWYBID-UHFFFAOYSA-N	421.384	4.970	50	20	HJGD	
O=C(CCc1ccsc1)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783463973	XOPJMCXTXMYQAW-UHFFFAOYSA-N	421.434	4.843	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)C(=O)Nc1ccc(Cl)cc1-c1ccccc1	785989058	RIGDZDHZSPOJAV-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(NC(=O)NCC)ccc2C)c1C	785991651	FKUFOQVLOJOQMH-UNOMPAQXSA-N	407.518	4.510	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccc(OCc2ccc(F)cc2)cc1	787313425	COEFMXQGFWLGIL-XESZTULISA-N	416.452	4.895	50	20	HJGD	
CCCCOc1ccc(C(=O)NN=Cc2c(F)cccc2Br)cc1OC	794479277	DVDYVVLCEHSGJR-UHFFFAOYSA-N	423.282	4.540	50	20	HJGD	
Cc1noc([C@H]2CCCN2S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1	796255777	OJNLPDJJYCIJCH-GFCCVEGCSA-N	419.397	4.561	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799717930	WWHOVQIWUVZMMA-UHFFFAOYSA-N	400.847	4.551	50	20	HJGD	
O=C(NNC(=O)c1cncc(-c2ccccc2)c1)Nc1ccc(Cl)cc1Cl	802090599	GDIAKEXOVZMWDU-UHFFFAOYSA-N	401.253	4.522	50	20	HJGD	
ClCCCOc1ccc(CNCCc2nc(-c3ccc(Cl)cc3)no2)cc1	811477783	DICUOHVAQALQSL-UHFFFAOYSA-N	406.313	4.730	50	20	HJGD	
Cc1c(C(=O)NNc2cccc(F)c2[N+](=O)[O-])sc2ccc(Br)cc12	814320775	DQQIDDRJRGDBCH-UHFFFAOYSA-N	424.251	4.776	50	20	HJGD	
Nc1c(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cnn1-c1ccccn1	816113620	XDNIPDNJQHYRRO-UHFFFAOYSA-N	405.352	4.759	50	20	HJGD	
COC(=O)c1cc(NNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)ccc1C	816687826	QIDASWVJSOXELN-UHFFFAOYSA-N	421.522	4.702	50	20	HJGD	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cs1	917561939	RMOPIWRWLGUXDR-XNTDXEJSSA-N	408.414	4.939	50	20	HJGD	
O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(CCCl)cc1	917721067	OXRQSQNMGGSGJO-UHFFFAOYSA-N	417.943	4.645	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCCC3(F)F)cc2)CCC1)C(Cl)Cl	1786464498	CCSUUDWEAJMRQY-AWEZNQCLSA-N	419.299	4.750	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)s3)cc2)CCC1	1787059380	LFSHJKHBCQTJIX-HNNXBMFYSA-N	406.935	4.522	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccco3)cc2)CCC1	1791908822	FEMHWBGZEUAWCL-OXJNMPFZSA-N	416.949	5.000	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC)cc2)[nH]n1	1815322176	MFLWUBQUXAGJGY-MJGOQNOKSA-N	416.953	4.686	50	20	HJGD	
CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(Cl)Cl)CC1	1831468420	OCFGNUFPNVQFRT-DOTOQJQBSA-N	405.410	4.626	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1C	10403477	YWJMKTGQYPSESB-FBJMNJBLSA-N	416.319	4.621	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1OCCCC#N	64367289	IZISRUWCKTWDEJ-MOSHPQCFSA-N	403.482	4.849	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2)cc1	201752570	YIQFRWYKSYTIEZ-QNGOZBTKSA-N	412.445	4.598	50	20	HJGD	
O=C(NNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1Cl	727366638	OSLVVMNGMJSYMB-UHFFFAOYSA-N	417.214	4.505	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H](Sc1cc(F)ccc1F)c1ccccc1	730205242	GFPCOMUOKXYCEW-LJQANCHMSA-N	415.421	4.850	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@H](CC(C)C)c2ccccc2C)c2ccccc2n1	732894885	RYDZLUFHQIVLDD-JOCHJYFZSA-N	404.514	4.583	50	20	HJGD	
CCSc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	733769125	YUCMAIHFMZWNFG-SRKIZSPNSA-N	409.555	4.942	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c1C	734401344	DPNIEPSAWCITIH-HWGVJAQFSA-N	417.962	4.593	50	20	HJGD	
CC(C)[C@@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl	734534932	IEYLGTNYPXVWRY-FRXJQHJJSA-N	403.954	4.584	50	20	HJGD	
Cc1cccc([C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1	737339243	KPLZLZKQSAHMMY-OMNSNBSWSA-N	410.477	4.984	50	20	HJGD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	740511062	XFIOLYAVVHWORP-XSLLRJJBSA-N	422.900	4.785	50	20	HJGD	
C#CCOc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1	742006642	UFBSGWLRLWTKBY-UHFFFAOYSA-N	414.086	4.525	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3sc(C)nc3C)c2C)cc1	742088102	HMUZWBUBNCNCNG-RGVLZGJSSA-N	404.539	4.699	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Oc1ccccc1Cl)c1ccccc1F	742473222	XPXYBZVKRWYXDC-UHFFFAOYSA-N	419.239	5.000	50	20	HJGD	
CC(C)(C)n1cc(C(=O)NNc2cc(F)c(F)cc2F)c(-c2ccc(F)cc2F)n1	743415301	VFBHNGKKIYUNAZ-UHFFFAOYSA-N	424.373	4.758	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(C)c1	743764386	GLNRAQMWTBPWJK-UHFFFAOYSA-N	403.486	4.954	50	20	HJGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)C2CCC(c3ccccc3)CC2)cc1	743821211	YSEGEYDIKWBGIZ-UHFFFAOYSA-N	411.571	4.765	50	20	HJGD	
CC(C)C(CCc1ccc(Cl)cc1)=NNC(=O)c1nn(-c2ccccc2)cc1O	748243959	HXHVRWDQNUWFGR-UHFFFAOYSA-N	410.905	4.606	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(CN2CCCCC2)cc1	748740161	AGJIBYZISJSKPR-UHFFFAOYSA-N	402.336	4.500	50	20	HJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1csc(-c2cccc(Cl)c2)n1	754469933	JMAFQASNKLUABV-UHFFFAOYSA-N	407.886	4.677	50	20	HJGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1ccc(-c2ccccc2)cc1F	755738680	BBKDQDYFIURHFV-UHFFFAOYSA-N	400.413	4.507	50	20	HJGD	
COc1ccc(CCC(=O)NNC(=O)Nc2ccc(SC3CCCC3)cc2)cc1	755739229	WADYDUQNXWGCEO-UHFFFAOYSA-N	413.543	4.515	50	20	HJGD	
COc1cccc(Nc2ccccc2C(=O)NNc2nc(C(F)(F)F)cs2)c1	755859133	DFGJQBLRGIFGIA-UHFFFAOYSA-N	408.405	4.671	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c1C	760833255	LJDCAUPHYOUOET-JPOGYNCRSA-N	417.513	4.739	50	20	HJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)cc2OCc2cccnc2)cc1	766486035	XQZUXQOBEJQJLG-BKUYFWCQSA-N	413.477	4.777	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	769998352	GEGIYMHWIIQAKV-UHFFFAOYSA-N	420.376	4.514	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)C(=O)Nc1ccccc1Sc1ccccc1	770811921	XYKSQKLEULYIHQ-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
C#CCOc1ccc(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	773666054	UUNXKBPVUFQZRF-UHFFFAOYSA-N	420.359	4.933	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc2ccccc2n1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	777462268	JPPQPKCGEXRACR-IERDGZPVSA-N	420.513	4.580	50	20	HJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccccc3OC(F)(F)F)o2)cc1	779209660	NOICYKFRQZQWGI-UHFFFAOYSA-N	405.376	4.625	50	20	HJGD	
CC[C@]1(CO)CCCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	779393482	UNYCVSNQHOOVMD-ZBFHGGJFSA-N	410.889	4.922	50	20	HJGD	
Cc1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1C(N)=O	782911664	YEOROTALGWFUJI-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
O=S(=O)(Nc1cnn(CC(F)F)c1)c1ccc(S(F)(F)(F)(F)F)cc1	782912969	MZYFWUFGXZHQRC-UHFFFAOYSA-N	413.340	4.606	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	785343169	BNFDNRIZXZKAFU-ZMTLZGASSA-N	422.790	4.836	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Br)cnc2Cl)c1C	787954770	GEGDQUMEOARPSZ-VGOFMYFVSA-N	421.726	4.872	50	20	HJGD	
CCOC1CC(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	788918959	WWUJORYKLAKIEK-UHFFFAOYSA-N	409.442	4.828	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H]2CCOc3c(C)cccc32)c1C	789501083	QEGDJDDPTPNALB-ZRJHTQTMSA-N	408.498	4.595	50	20	HJGD	
COc1cc(NNC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)ccc1Cl	790170766	BQGHWMIVZMZLPV-UHFFFAOYSA-N	413.301	4.802	50	20	HJGD	
O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NNc1cc(Cl)cc(Cl)c1	791713989	DVTFBGZJDJOXAM-CQSZACIVSA-N	416.717	4.593	50	20	HJGD	
CCCN(N=Cc1cc(Br)c(O)c(OCC)c1)C(=O)OC(C)(C)C	794992532	CNUXGFFGBOEPIO-UHFFFAOYSA-N	401.301	4.534	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc3c2CCCC3)c(C)n1C[C@@H]1CCCO1	854931959	UKSJPSPZRXWGNE-BHJKQYKASA-N	403.526	4.708	50	20	HJGD	
Cc1csc(CC(=O)NN=Cc2ccc(-c3cccc(Br)c3)s2)n1	914599336	FWBMGSGAEDZCPH-UHFFFAOYSA-N	420.357	4.635	50	20	HJGD	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	915984535	JHVQCFBVJDSCCE-MHWRWJLKSA-N	423.314	4.986	50	20	HJGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1C	916546489	UPMFAILYJLGIGD-UHFFFAOYSA-N	410.477	4.541	50	20	HJGD	
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)[C@@H]1C	918239364	FEEJMMXNDOQNPC-YXPOGWMNSA-N	422.900	4.785	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1C	919854893	YDWYCOQCHFZSJZ-KGENOOAVSA-N	415.541	4.704	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c1C	919936359	LAGFFDBPMAWUOY-IDCRMVTHSA-N	422.548	4.594	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nnc(C(C)(C)C)o2)c(C)n1-c1ccccc1F	920492977	IRBBKAZFAYYBTR-GZTJUZNOSA-N	422.460	4.564	50	20	HJGD	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NNc3ccc(C(C)(C)C)nn3)s2)cc1	1251943560	NOSQJXDUDOTLCU-OAHLLOKOSA-N	424.574	4.902	50	20	HJGD	
Cc1ccc(Cn2ncc3c(C(=O)NNc4c(C)cc(C)cc4C)cc(C)nc32)cc1	1318853450	MKHILQHSIMXZRM-UHFFFAOYSA-N	413.525	4.779	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1C	1321612837	XPHJJWDTYDWLOQ-CJLVFECKSA-N	422.573	4.528	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1830313955	UYVGKUSHMGWIJJ-ZIBCJSCZSA-N	411.030	4.840	50	20	HJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OCC	6432559	YNHRCTVJIQELDM-QGOAFFKASA-N	422.481	4.581	50	20	HJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC	7165201	ZOTSXHKDUCHXHV-RVDMUPIBSA-N	415.276	4.950	50	20	HJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=S)Nc3ccccc3F)cc2C1	8145722	BOZVHTNPFLHWCB-ZDUSSCGKSA-N	405.564	4.670	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC	11291616	WILWFPFYLFHGDU-XNTDXEJSSA-N	413.271	4.568	50	20	HJGD	
O=C(NNC(=O)c1ccccc1COc1ccccc1)c1ccc(Cl)cc1Cl	15811149	ABXGUYZXJTZLAX-UHFFFAOYSA-N	415.276	4.647	50	20	HJGD	
COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCC(=O)Nc1ccccc1Cl	23217084	HHMPHBAPDBSGDV-SFQUDFHCSA-N	419.868	4.825	50	20	HJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	33524125	BFPDKYRNKZZJGA-ZHZULCJRSA-N	409.445	4.993	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2Br)c1C	727094900	MFJGKQTVAFIBOK-MHWRWJLKSA-N	416.319	4.832	50	20	HJGD	
CC[C@@H](C(=O)NNC(=S)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccccc1	727172477	GDZQUVGYOVVJOY-SWLSCSKDSA-N	410.370	4.744	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(Cl)cccc1Cl	727781362	KRAZHBRCFZXSKX-UHFFFAOYSA-N	404.209	4.926	50	20	HJGD	
COc1cc2c(cc1NC(=O)NNC(=O)CCCc1ccccc1)oc1ccccc12	727840366	ASCWKKRQRHDHCC-UHFFFAOYSA-N	417.465	4.770	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(N(C)C(C)C)c2)c(C)n1C[C@H]1CCCO1	731585984	VHFUIWSMHBUDDY-NIQJEMAJSA-N	420.557	4.674	50	20	HJGD	
CC[C@H](NC(=S)NNC(=O)c1cc2c(s1)CCCCCC2)c1cccs1	734372138	WRYDXCLISQBYAX-AWEZNQCLSA-N	407.630	4.729	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)c1C	735024790	XNZCXFYHBQKDFT-BKUYFWCQSA-N	422.529	4.695	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)c3nc4c(C)ccnc4[nH]3)c2Cl)cc1	741472460	JHYHMXDBSYMXHZ-LICLKQGHSA-N	402.889	4.846	50	20	HJGD	
Cc1c(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cccc1N1CCOC1=O	743789193	JXVNYBKVDVBDKV-NDENLUEZSA-N	420.513	4.572	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	743818894	REUVVXCLZRQWBU-UHFFFAOYSA-N	409.902	4.661	50	20	HJGD	
CC(C)[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)c1ccc(C(F)(F)F)cc1	747975993	PDTZHUIWPSHQRY-SFHVURJKSA-N	419.403	4.793	50	20	HJGD	
O=S(=O)(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(CCCCl)cc1	751268054	SPWAQLSOTSIKLO-UHFFFAOYSA-N	407.919	4.700	50	20	HJGD	
Cc1ccnc(NNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1	755838102	KCXDTJNXLLTRAB-UHFFFAOYSA-N	415.280	4.706	50	20	HJGD	
O=C(CCCc1ccccc1)NNC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	756447421	WLTSGEKVCULPRJ-UHFFFAOYSA-N	415.362	4.516	50	20	HJGD	
COc1ccc(-c2ccccc2)cc1/C=C(/C#N)C(=O)Nc1ccc(NC(C)=O)cc1	756789520	YIXHMFUNBWSRQK-QNGOZBTKSA-N	411.461	4.866	50	20	HJGD	
C[C@H](CC(=O)NNc1c(Cl)cc(Br)cc1Cl)c1ccncc1	759075810	NUUOYSGZYRVSDP-SECBINFHSA-N	403.107	4.788	50	20	HJGD	
CCCC1(CNC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	760121343	RWTFIBJBUMLAKE-HNNXBMFYSA-N	408.873	4.541	50	20	HJGD	
CCSc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	763838041	LZEOFRYOTQDEBP-UHFFFAOYSA-N	403.718	4.834	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(Br)cc1[N+](=O)[O-]	767718379	UQADGCLDZQBQFC-MDWZMJQESA-N	410.227	4.937	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)O[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(-c2ccccc2)n1	771011662	UCGDURZKOVJNSD-KRFAHYQDSA-N	414.509	4.883	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3cnc4ccccc4n3)oc2c1	774791174	XASMJKFKCNSFKB-UHFFFAOYSA-N	410.433	4.809	50	20	HJGD	
CC(C)(C)[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	776571873	YBOVAYBNYCQDEZ-LLVKDONJSA-N	411.414	4.512	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cccc(C)c1OC(F)F	777869324	HWKIRYXMENYIFW-OQLLNIDSSA-N	402.397	4.508	50	20	HJGD	
O=C(CCCc1cccs1)Nc1cccc(C(=O)NNc2cc(Cl)ccn2)c1	778448732	JYEHVYJFTCJKJJ-UHFFFAOYSA-N	414.918	4.515	50	20	HJGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNc2ccc(Br)cc2C(F)(F)F)C1(C)C	780639044	FPYQUHYNMGWGTN-KOLCDFICSA-N	421.257	4.552	50	20	HJGD	
Cn1ccnc1[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1	780816286	BOIDUFMZAAMGRV-IBGZPJMESA-N	411.937	4.787	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)c(C)n1CC(C)C	781060421	UWKITWUKDFYRDP-PIZZFGTGSA-N	407.562	4.639	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nccnc1C	783508275	UONPSKANTDPBRC-UHFFFAOYSA-N	410.930	4.885	50	20	HJGD	
CCOc1ccc(C(C)(C)C(=O)NNc2ccc(OC(F)F)cc2)cc1OCC	783590148	UXMAGKGMBQZUSU-UHFFFAOYSA-N	408.445	4.506	50	20	HJGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	785347545	YKIDOOTUGOETNN-RILMWAFASA-N	412.445	4.956	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(Cc1cccc(Br)c1)CC1CC1	787573474	NABFBOHFUYBDDL-ZDLGFXPLSA-N	411.299	4.500	50	20	HJGD	
CCn1c(SCC(=O)NN=C2CCC23CCCC3)nnc1-c1ccc(Cl)cc1	788718409	RFGARZDCXNVLAT-UHFFFAOYSA-N	417.966	4.537	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H]1[C@@H]1CCCO1	790404578	SDAMINRGXHGGMZ-KBPBESRZSA-N	407.426	4.676	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790558425	HXWNDQMWOJFPKT-JSGCOSHPSA-N	419.298	4.726	50	20	HJGD	
C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	797842275	XEKOFLHPYBGYNQ-SMDDNHRTSA-N	407.426	4.604	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F	799760497	JECIJLQNARFBAH-UHFFFAOYSA-N	423.826	4.567	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(C(F)(F)F)cc(Cl)n2)c(C(F)(F)F)c1	816703712	PYYPPLDUEUEXEI-UHFFFAOYSA-N	413.705	4.538	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-c2ccc(Br)cc2)s1	817011854	MEUKSFNISKIVDV-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc1	817896103	PEBIRCALBQJMJS-UHFFFAOYSA-N	402.454	4.662	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccccc2NC(=O)OCc2ccccc2)cc1	817921011	FXYHZDRJAGVPBG-UHFFFAOYSA-N	405.454	4.591	50	20	HJGD	
CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	852997504	FRVNDTWRYLNURJ-FDVYSGEASA-N	413.562	4.754	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1	901388446	XTNRYZRCMIQKDT-LGMDPLHJSA-N	418.522	4.841	50	20	HJGD	
CCCCSCC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1	914460350	LROIFGFFJJEKQV-UHFFFAOYSA-N	420.600	4.619	50	20	HJGD	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	915293264	HGCDMNICSFLVML-MRVPVSSYSA-N	422.095	4.529	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)c1ccc(Cl)cc1Cl	916359122	KNGRBTRWYHOCLJ-UHFFFAOYSA-N	401.297	4.619	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CCCc3ccccc32)c(C)n1C[C@@H]1CCCO1	916560036	LMRXZQLABXHKLQ-LWCUEARXSA-N	417.553	4.727	50	20	HJGD	
O=C(NCCC1CCCC1)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918264045	VKDOGFRVYPGFPX-MRXNPFEDSA-N	408.873	4.541	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H]2CCSc3ccccc32)c1C	1344597019	RKNMKFJMMWBIFW-SKEXYRMPSA-N	410.539	5.000	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3F)CCC2)cc1	1786011415	NNDOQRACXRMDOD-UHFFFAOYSA-N	416.924	4.767	50	20	HJGD	
C[C@H](CBr)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C)cc2)CCC1	1789207063	VOCZGSLJXDLMCJ-HDMKZQKVSA-N	421.379	4.588	50	20	HJGD	
CCc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1	1789811676	FQIQBXXMUDGJBK-UHFFFAOYSA-N	417.937	4.558	50	20	HJGD	
CCOc1ccccc1C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1790240976	YXNNQKHGQMPHHT-UHFFFAOYSA-N	421.324	4.637	50	20	HJGD	
Cc1ccc(F)cc1C(=O)NC1(c2ccc(NC(=O)C(Cl)Cl)cc2)CCC1	1791605295	CSIVUJHPTGMHHE-UHFFFAOYSA-N	409.288	4.686	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)c(Cl)c1	1792112518	MAUZQVSWUMAUIY-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(C)(C)C)s1	1797150930	XGCNDTPNRBLKPZ-FZKCQIBNSA-N	411.011	4.705	50	20	HJGD	
CCc1cccc(C)c1NC(=S)NNC(=O)Cc1csc(-c2cccc(C)c2)n1	26959512	JLGVAMYJLROPDY-UHFFFAOYSA-N	424.595	4.550	50	20	HJGD	
Cc1cccc(NNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1	215779146	AYZLBIPOCJIKFX-UHFFFAOYSA-N	400.485	4.576	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2c(c1)C[C@@H](C)O2	727744164	LJIZSUOLEPHYFJ-DKTFCQPKSA-N	403.265	4.871	50	20	HJGD	
CC(=O)c1csc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	742005370	VGRAPWDKGSQEEI-UHFFFAOYSA-N	408.104	4.777	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1	744569491	CWWXNKZCGBVXIL-UEIJICEPSA-N	403.438	4.655	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc2c(F)cc(Br)cc2[nH]1	746695750	LCVBQDHBAFTICX-UHFFFAOYSA-N	400.610	4.619	50	20	HJGD	
N#Cc1ccc(NNC(=O)C2(c3ccc(Br)cc3)CC2)cc1C(F)(F)F	746889213	LLXYVPMZQITGDE-UHFFFAOYSA-N	424.220	4.514	50	20	HJGD	
Cc1ccc(OCc2nc(CC(=O)NNc3cccc4c3CCCC4)cs2)cc1	748573607	FLLYWFGFQCBORB-UHFFFAOYSA-N	407.539	4.595	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccccc1SC1CCCC1	755721659	QEXAMLYJHIZKBG-UHFFFAOYSA-N	408.527	4.598	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C/c2cnc(C3CCC3)s2)cc1	760212397	SGGYZZSJIFNRTF-GZTJUZNOSA-N	403.511	4.759	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccccc1SCc1ccco1	761585737	SATDWIIETSUGJR-UHFFFAOYSA-N	417.943	4.857	50	20	HJGD	
O=C(O)Cc1ccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	766569009	BBTJMRBCZHQKIJ-UHFFFAOYSA-N	417.377	4.772	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	772893539	QJKGCUASYYNJSQ-IBGZPJMESA-N	414.481	4.855	50	20	HJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)cn1)c1ccccc1	775276056	ZRQRVQABYIOKTA-GFCCVEGCSA-N	403.269	4.680	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1	776669018	LBCTXFBZPCDANV-LICLKQGHSA-N	405.841	4.565	50	20	HJGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	778448623	DKJYGNXBGNSVHD-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1	779209159	IUZDDRINTXJWJV-UHFFFAOYSA-N	411.380	4.689	50	20	HJGD	
O=C(NNc1ncccn1)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	782083618	SICSIDNJTQQZFR-UHFFFAOYSA-N	412.862	4.681	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)c1	783362026	IXOGNMAIESIGQL-UHFFFAOYSA-N	423.900	4.618	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1	787143801	CJABZAFSXKSQAT-OBHPCNEJSA-N	414.259	4.532	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2ncc(C(C)(C)C)s2)c1C	790885022	AZSWUELKJUDETN-FNMPFJKNSA-N	415.559	4.717	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2c(F)cncc2F)c(C)n1-c1ccccc1F	804825616	AVEIZWNQNQWGEV-DUPVFGOHSA-N	424.426	4.691	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(-c3nnco3)c2)c(C)n1CCC(C)C	914573765	YAHDAWRJNYHDSG-JAIQZWGSSA-N	403.486	4.747	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1	917518150	WKQRSTNTZDQUTD-PDGQHHTCSA-N	406.482	4.920	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@@H]1CC(=O)N(C2CCCC2)C1	918559318	OMAUDUOMHJSMQO-PIGZYNQJSA-N	420.884	4.636	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(-c3nnco3)cc2)c(C)n1CCC(C)C	918579832	PNEOHOSTAVNCMH-NDENLUEZSA-N	403.486	4.747	50	20	HJGD	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NN(C)C(=O)OC(C)(C)C)cs1	920381431	RGKHCBRDGMWELN-UHFFFAOYSA-N	402.520	4.645	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2cc3ccccc3s2)c1C	920473740	WQNFXNILMOMKGW-HSGPEQJXSA-N	407.539	4.750	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ccc(-c2cccc(C#N)c2)cc1	1320005604	SBYBNCYARHDYQB-HNNXBMFYSA-N	418.884	4.584	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC2(CCN(C(=O)c3cccc4ccoc34)CC2)C1	1805264392	LWXAIWVTDKIAGW-UHFFFAOYSA-N	416.949	4.543	50	20	HJGD	
CCCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](Cl)CC)n[nH]2)cc1	1820858144	KIRXTFMUYSONOW-IEBWSBKVSA-N	416.953	4.686	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1	1830307510	BWDXGTKBZKHFBE-RTBURBONSA-N	416.949	4.684	50	20	HJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)OC1CCCCC1	14178812	MENHEIRKECQIDE-KGENOOAVSA-N	412.493	4.776	50	20	HJGD	
Cc1nnc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)n1-c1ccccc1	207283140	LSLHYXWKUBRKOQ-BPHPCYGNSA-N	419.535	4.578	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCn2c1nc1ccccc12	727432505	JDNCRGLHLBORTE-UKTHLTGXSA-N	416.790	4.662	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2c(c1)C[C@@H](C)O2	727744425	HEENUPRZWXCWLJ-IWTIEGKHSA-N	402.372	4.583	50	20	HJGD	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727847071	QMDYBHDZFVMOPA-JTQLQIEISA-N	400.693	4.694	50	20	HJGD	
Cc1cc(CNC(=O)NNC(=O)c2c(Cl)cccc2Cl)c2[nH]c(C)c(C)c2c1	727940886	FXWLJNSCPBOASS-UHFFFAOYSA-N	419.312	4.544	50	20	HJGD	
Cc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2)oc1C(=O)O	729937044	KZWYEEYFAGMREQ-WJDWOHSUSA-N	420.396	4.550	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cc2c(s1)CCC2	731479228	QFXIJYQQGKYOEL-UHFFFAOYSA-N	405.239	4.775	50	20	HJGD	
CC[C@H](C(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1	731931929	ULNZLCLNLIPYRT-DEOSSOPVSA-N	423.520	4.637	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1ccccc1	731937723	KZYPTBRMTWZFRH-SWEABUAFSA-N	421.298	4.624	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1ccccc1	732713816	LJNMDXJMJJPRPH-FMNVXAMXSA-N	421.298	4.624	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@]2(C)CCOC2)c(C)n1-c1cccc2ccccc12	733116054	YHQJSOFJHMBHGZ-FLHQCDKJSA-N	413.521	4.697	50	20	HJGD	
C[C@H](NC1(CNC(=O)NNc2ccc(OC(F)F)cc2)CCCC1)c1ccccc1	733656498	BUKYVKARCRAJLP-INIZCTEOSA-N	418.488	4.578	50	20	HJGD	
COc1ccccc1-c1nc(C(=O)NNc2ccc(Br)c(C)c2)cs1	734251694	XUIPZGLIARUQEN-UHFFFAOYSA-N	418.316	4.647	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2nc3ccccc3n2C(C)C)c1C	735829855	NUILKVOPOATJBG-MOSHPQCFSA-N	403.530	4.669	50	20	HJGD	
O=C(Cc1cccc(C(F)(F)F)c1)Oc1ccc([N+](=O)[O-])cc1Br	739313868	JAWCZFGUEURLEK-UHFFFAOYSA-N	404.138	4.524	50	20	HJGD	
CCc1nc2ccccc2c(C(=O)NNc2c(F)cc(F)cc2Br)c1C	741978485	JVCMPTXHAQCCFK-UHFFFAOYSA-N	420.257	4.903	50	20	HJGD	
CC(COc1ccc2cc(Br)ccc2c1)=NNC(=O)c1cccc(C#N)c1	743439940	SCDWUPRRJAQFPO-UHFFFAOYSA-N	422.282	4.659	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	744470945	JGBSJAWOGOGWNQ-UHFFFAOYSA-N	421.309	4.892	50	20	HJGD	
COc1ccc(NNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1	746883934	ZTYZPOLYWMIKDJ-UHFFFAOYSA-N	403.413	4.913	50	20	HJGD	
Cc1cc(C)cc(NNC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1	748362772	SWOVIDWXAAQBCQ-UHFFFAOYSA-N	404.495	4.742	50	20	HJGD	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNC(=O)CC2CCCC2)cc1	749952148	XKZJBDLOUWIYOM-UHFFFAOYSA-N	419.525	4.504	50	20	HJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(CNC(=O)c2cccs2)cc1	752813446	WJLCNPQSFSZBCL-UHFFFAOYSA-N	420.321	4.742	50	20	HJGD	
O=C(NNc1ccc(Br)cc1Cl)c1c(F)cccc1Br	755777297	MXROPDZAKIJRSN-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	758715419	QYDQEAWQKNTUSS-WMLDXEAASA-N	415.362	4.530	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@@H](CO)c1ccccc1	761619868	ZWPZXEFTRJYAHT-DZGCQCFKSA-N	404.841	4.761	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)c1cc(-c2ccc(F)cc2)nc2ccccc12	766671412	KMMUPZHTFCMFQD-UHFFFAOYSA-N	415.453	4.803	50	20	HJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3ncnc4ccsc34)c2c1	766671444	LPBXCFOMLGYLEN-UHFFFAOYSA-N	411.490	4.972	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccccc1-c1ncc(-c2ccccc2F)o1	768507006	KBCYTOQNVKPYHQ-UHFFFAOYSA-N	413.412	4.781	50	20	HJGD	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OC[C@H](C)CBr	770411789	PDWVYPMGSMCKNN-SECBINFHSA-N	405.214	4.592	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	772823714	QKEPDFPISIDNPP-UHFFFAOYSA-N	407.861	4.674	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	772854092	OUNKQKFHCROMAJ-ONEGZZNKSA-N	418.341	4.794	50	20	HJGD	
O=C(Cc1nc(-c2ccc(F)cc2)cs1)NNc1ccc(Br)cc1F	773460484	XOXZRFGIIQOSMS-UHFFFAOYSA-N	424.270	4.537	50	20	HJGD	
CN1CCCC[C@@H]1CCN(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981467	QALMUUGCNBUUMF-CYBMUJFWSA-N	422.485	4.839	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	783714887	NXDDNMPLISTRBS-RAXLEYEMSA-N	411.870	4.554	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1C#N	787145687	RVVXFMXBDOLXPT-IYVNWDGISA-N	400.265	4.658	50	20	HJGD	
CCc1cnc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)o1	793834337	LYKPUDVQLGMWHF-LICLKQGHSA-N	408.889	4.521	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H]2C[C@@H](OCc3ccccc3)C2)c1C	802861378	HEQZYIUGNPRGOB-QPDQFGDQSA-N	422.525	4.510	50	20	HJGD	
CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NNc1ccc(F)cc1	806371886	JDMCJNOXRUFXFY-GOSISDBHSA-N	401.482	4.561	50	20	HJGD	
O=C(Nc1ccc(F)cc1)NC1CCN(Cc2ccc(OCCCCl)cc2)CC1	811456503	CBTDJKBBNXIHDK-UHFFFAOYSA-N	419.928	4.620	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1csc(NC(=O)c2ccccc2)n1	812769139	WJMKMWOAPCMQCU-UHFFFAOYSA-N	408.527	4.513	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccn(-c2ccccc2)n1	817016597	CKHVNXNZPLCZTI-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2cc(C(F)(F)F)ccn2)cc1	857514154	KQVVOFROCWJMBC-UHFFFAOYSA-N	406.433	4.527	50	20	HJGD	
O=C(NN=Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)C1CCCC1	914835643	PREYNAPEILCJOT-UHFFFAOYSA-N	406.917	4.892	50	20	HJGD	
O=C(CCCOc1cccc2ccccc12)NNC(=O)c1ccc(Cl)cc1Cl	915594457	POAXTZRPFDBPED-UHFFFAOYSA-N	417.292	4.767	50	20	HJGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1	915843098	PUUPBALLUIGBLN-GYXHFJGISA-N	421.884	4.678	50	20	HJGD	
CCOc1ccc(CNC(=O)NN(Cc2ccccc2)c2ccccc2)cc1OC	916391719	WGLGPGZRMIMHBC-UHFFFAOYSA-N	405.498	4.515	50	20	HJGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCO2)C(=O)c1c[nH]c2cc(F)ccc12	917621541	VTAWUXIFISSNON-JYOAFUTRSA-N	413.202	4.588	50	20	HJGD	
Cc1sc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1	919915071	RYZPHGKPGLRGRP-UHFFFAOYSA-N	417.878	4.506	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1	1324633114	AKYMOHHJBXSXRO-UHFFFAOYSA-N	419.413	4.538	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCCC(F)(F)F)cc2)CCC1	1786621687	SVTSQWWZOWKIDC-OAHLLOKOSA-N	404.860	4.871	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)CCC1	1791533517	NDYSBAVVUMDASH-HBMCJLEFSA-N	410.945	4.942	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	1824014973	HXCICRKPDXCOCZ-BVOGOJNSSA-N	423.041	4.697	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2)CC1	1824616384	KRWCHTPJVKCMLR-RTWAWAEBSA-N	404.982	4.636	50	20	HJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC	207929396	ADZHSZBOAJDWTK-RGEXLXHISA-N	421.497	4.768	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc3ccccc3nc2O)c1C	303539317	FYBNVEZORGTKHB-MOSHPQCFSA-N	403.482	4.809	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cc(F)ccc2Br)c2ccccc12	728435842	INAUNLGCYDJRQZ-UHFFFAOYSA-N	401.235	4.514	50	20	HJGD	
Cc1nn(C)c(Cl)c1COC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	731696137	JEOPHIODJMYZLK-WQRHYEAKSA-N	414.937	4.956	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc3ccccc3s2)c1C	734111980	OMKPUICDMRKGOR-DDMUGZQBSA-N	422.554	4.706	50	20	HJGD	
COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)NNC(=O)c1cccc(Cl)c1	739049733	MQJUBWUYTVSSIT-KRWDZBQOSA-N	424.328	4.733	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)OCCCC2CCCC2)c(-c2ccccc2)n1	744454776	IXORYAPFVWIPKJ-PGMHBOJBSA-N	402.498	4.884	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NNc1ccc(Cl)c(F)c1	746695854	MZSDPSBRZVHYSY-UHFFFAOYSA-N	421.856	4.997	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(C3SCCS3)cc2)cc1C(F)(F)F	746893018	BUXXCOBYKZVTSO-UHFFFAOYSA-N	409.458	4.813	50	20	HJGD	
Cc1c(NNC(=O)c2ccc(-c3nc4ccccc4s3)s2)cccc1[N+](=O)[O-]	748682509	FICXWDALHFPBDT-UHFFFAOYSA-N	410.480	4.998	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1	752403950	SODQSQQQVVVJHG-UHFFFAOYSA-N	415.896	4.643	50	20	HJGD	
Cn1ccnc1[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1	752839472	PRPPARXKIOLAJT-INIZCTEOSA-N	424.719	4.796	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)NNC(=O)CC(C)(C)C)ccc2OC(F)F)cc1	755535741	YWZVUTDDBJYPCR-UHFFFAOYSA-N	421.444	4.553	50	20	HJGD	
O=C(CNc1cccc(S(F)(F)(F)(F)F)c1)NC[C@H]1Cc2ccccc2O1	762534489	RFSZXZWTZRTEBN-CQSZACIVSA-N	408.392	4.876	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)cc1C	766555700	JYDGUYQCHAIXGH-OXJNMPFZSA-N	405.608	4.777	50	20	HJGD	
Cc1cn(-c2ccccc2Cl)nc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	767092601	ATSITQYEBUNKSK-UHFFFAOYSA-N	424.810	4.532	50	20	HJGD	
CCc1c(C(=O)NNc2cc(Cl)ccc2Cl)cnn1-c1ccc(OC)cc1	771432590	WJNYSDHUXQOHIY-UHFFFAOYSA-N	405.285	4.507	50	20	HJGD	
O=C(O)c1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c(O)c1	782911273	UXAXAWOURVBGTA-UHFFFAOYSA-N	419.349	4.549	50	20	HJGD	
COCC[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccco1	782983010	GWTHUFKNECMACM-CYBMUJFWSA-N	421.409	4.993	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cnc3c(C)cc(Br)cn23)c(C)c1	783698250	ZBZRDQQEIVUMCJ-NVNXTCNLSA-N	409.287	4.568	50	20	HJGD	
COc1cc(NNC(=O)Nc2nnc(SCc3ccccc3)s2)ccc1Cl	788549225	UABNLUZRJGBSNR-UHFFFAOYSA-N	421.935	4.641	50	20	HJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccs1	792633873	UYHKVTNEDKWDIP-UYRXBGFRSA-N	411.552	4.739	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccnn1-c1ccc(F)cc1	794870079	ROGHRYRTZKTNGD-UVTDQMKNSA-N	410.836	4.528	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1ccc2ccccc2n1	801504573	BNVKTVBHOIYNFY-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1nc2ccccc2cc1Br	809587412	OMYZBCYTFIYYMG-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
CCc1nnc(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)s1	810153939	HKXRLKWYAPJKEB-LBPRGKRZSA-N	410.874	4.642	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)c(F)c1)c1cccc(Br)c1	812548809	RZDJBFXQMXEKMX-SECBINFHSA-N	416.088	4.598	50	20	HJGD	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCCC[C@H]3CCSS3)CC[C@H]21	814150547	DFXYOSFWNFFOHU-IXDOHACOSA-N	414.637	4.558	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1csnn1	814702078	LKGKTTHYIFVWJV-UHFFFAOYSA-N	402.932	4.638	50	20	HJGD	
CC(C)[C@@H](c1ccccc1)S(=O)(=O)NC(=O)CCCC[C@H]1CCSS1	816108910	QOJGOOZRDZIAOD-WMZOPIPTSA-N	401.619	4.544	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(O)c3ccccc3n2)c(C)n1CC(C)C	849205563	KAVRXNHAMMKUCI-HPKGMJOESA-N	418.497	4.621	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H](c2cccs2)N(C)C)c(C)n1C1CCCCC1	863940538	IVSSMRCJTUUHQC-VOSMRYOYSA-N	424.614	4.998	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nccn2C(F)F)c(C)n1C1CCCCC1	912621067	KZYDKRVNUVCCAW-GZTJUZNOSA-N	402.445	4.852	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cccc4c3OCO4)n2)c1	915986074	UFIHODOMANJEIE-SXGWCWSVSA-N	403.463	4.701	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1sc(Nc2ccccc2)nc1Cl	916341099	XRYPOOXNJIYLCR-UHFFFAOYSA-N	409.902	4.714	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3oc(O)nc3c2)c(C)n1-c1ccccc1F	919707821	HZETWBHNQKYDHT-YBEGLDIGSA-N	416.412	4.626	50	20	HJGD	
O=C(NNC(=O)c1cc2sc(Nc3ccccc3)nc2s1)Nc1ccccc1	1321449835	VHTZKXVISMEMAL-UHFFFAOYSA-N	409.496	4.568	50	20	HJGD	
COc1cc(Br)c(OC)c(C(=O)NNc2c(C)cccc2C(C)C)c1	1343633682	AWNQGFJKYGRBTH-UHFFFAOYSA-N	407.308	4.655	50	20	HJGD	
Cc1cc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)cc(C)c1O	1791607180	KZOYNYMFCZSUCE-UHFFFAOYSA-N	421.324	4.560	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCC=C3F)cc2)CCC1	1792379179	GRJJMMZMVPXSAR-IIBYNOLFSA-N	410.892	4.884	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)C(C)C)C2)CC1	1805624031	YGXMKUFVNSXHGS-SFTDATJTSA-N	419.009	4.675	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2C)n[nH]1	1814599954	XCOADMXWTBRNHJ-RHSMWYFYSA-N	423.344	4.695	50	20	HJGD	
CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](F)Cl)CC2)CC1	1827614609	PZRKJUOBOSDHOD-LEAZDLGRSA-N	414.993	4.603	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1	1830308881	AFMLEPBVWLCENF-LEWJYISDSA-N	404.982	4.554	50	20	HJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3OC)o2)cc1	33286239	XMTVCSABPRZRTD-JXAWBTAJSA-N	416.433	4.678	50	20	HJGD	
CC(C)(C)OC(=O)N[C@H](CCC(=O)NNc1cccc(Cl)c1)c1ccccc1	729310426	JUXVGJNENUXZPG-GOSISDBHSA-N	403.910	4.829	50	20	HJGD	
Cc1ccsc1-c1nnc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)o1	730151361	TUGMHDXQHAGJET-BOPFTXTBSA-N	412.521	4.721	50	20	HJGD	
O=C(NNc1ccc(Br)nc1)c1ccc(-c2ccc(Cl)cc2)s1	732837197	BABLZDUSMMFJDT-UHFFFAOYSA-N	408.708	4.983	50	20	HJGD	
O=C(NN[C@H](Cc1ccccc1)c1ccccc1)c1ccc(F)cc1Br	732916954	BMTIRHSMCJFQKN-HXUWFJFHSA-N	413.290	4.807	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1C	734396963	IIUUNGHRQYLHNH-KCDOPAPYSA-N	423.532	4.797	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC2(C(F)(F)F)CCCCC2)c1C	735249147	NKRQNLUIOLDNSJ-JQFNYASXSA-N	411.468	4.601	50	20	HJGD	
Cc1ncsc1C=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	743423608	SXESDXOELHNAGL-UHFFFAOYSA-N	401.491	4.948	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)ccc2n1-c1ccccc1	748726725	NYIYJHMRIRNQRT-UHFFFAOYSA-N	421.844	4.652	50	20	HJGD	
O=C(Nc1ccccc1C(=O)NNc1cc(F)c(F)cc1F)c1ccc(Cl)cc1	748800450	OFCZKFYWEAVEON-UHFFFAOYSA-N	419.790	4.767	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1ncnc2ccsc12	766668953	AFNGNLFHOPNKIR-UHFFFAOYSA-N	401.904	4.534	50	20	HJGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1cccc(NC(=O)c2ccccc2)c1	767032386	LKGOIZFOHWQZLV-KDOFPFPSSA-N	417.347	4.926	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CCCCC1	767143896	DJTMTPVIFFIDEJ-UHFFFAOYSA-N	415.559	4.537	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)[C@H](Br)C(C)(C)C)cc1	768252893	NJUQXAUVOTUGJW-HNNXBMFYSA-N	413.356	4.502	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	769970701	MIIMXJSOAFOOCJ-UHFFFAOYSA-N	421.457	4.836	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NN=c1cc[nH]c2ccccc12	770408368	INDDAZAKUPYGFR-UHFFFAOYSA-N	402.523	4.504	50	20	HJGD	
CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)CBr	770648700	VEFBWLTYXPMPCV-OLZOCXBDSA-N	409.290	4.775	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	772830917	PBXFQWGDABYERT-UHFFFAOYSA-N	417.391	4.563	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1OC	774557362	DYUJJZZUZSGIBQ-VGOFMYFVSA-N	403.232	4.747	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(C[S@@](=O)c2ccccc2)c1	775624163	TURVMHIOKUHUCJ-SSEXGKCCSA-N	416.506	4.691	50	20	HJGD	
C[C@@H](CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)C(=O)c1ccc(Cl)cc1	777425809	KUCDIYGMBUIRMH-NSHDSACASA-N	409.795	4.583	50	20	HJGD	
COC(=O)c1cccc(NNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1	780795712	APPJNXUANBBVCD-UHFFFAOYSA-N	413.433	4.552	50	20	HJGD	
Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782984085	XGGACYHLOQCSPS-VIFPVBQESA-N	420.425	4.858	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCC4(CCCO4)CC3)cc12	788015639	FINJDPXQNGJBDI-UHFFFAOYSA-N	408.527	4.604	50	20	HJGD	
N#Cc1cc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])ccc1Oc1ccccc1	790527549	FSTNZUJGMXBLEM-UHFFFAOYSA-N	407.361	4.546	50	20	HJGD	
Cc1cccc([C@@H](C)C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1	804209957	NTQPXAIOPNQVBF-CQSZACIVSA-N	400.404	4.718	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1nc(Br)sc1C1CC1	807392331	YZHFNICQOUTHKH-UHFFFAOYSA-N	407.120	4.847	50	20	HJGD	
C[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@H](O)c1ccccc1	808339617	VDTYAYJNHRTVNE-ABAIWWIYSA-N	417.421	4.744	50	20	HJGD	
COCc1ncc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)s1	814002027	PIPQVRIFALPYBA-VXLYETTFSA-N	421.522	4.656	50	20	HJGD	
Cn1ncc(C=NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)c1Cl	814702292	POELKWDXGNVDQI-UHFFFAOYSA-N	418.884	4.570	50	20	HJGD	
CCC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1cccc(N)c1	814702422	RXGHUWYAKNIZHV-UHFFFAOYSA-N	419.554	4.512	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)Cc1cccc2ccccc12	839425380	RYAITOWUEPZWTF-UHFFFAOYSA-N	416.912	4.739	50	20	HJGD	
Cc1ccc(NCC(=O)NN=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)cc1	914554877	YCCASYAGZJDAAC-UHFFFAOYSA-N	409.921	4.520	50	20	HJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)o1	915847332	CCCYMEORMRXNPZ-LGMDPLHJSA-N	400.434	4.896	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1	916113365	LOVTVKNLFPLEOL-UHFFFAOYSA-N	423.513	4.653	50	20	HJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1	916245564	JDDGWIJLVWMLAM-UHFFFAOYSA-N	415.862	4.521	50	20	HJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)N[C@H]3CCCc4occc43)cc2C1	916577307	XHPLWIUIBGSERA-HOCLYGCPSA-N	415.559	4.514	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1	916614022	SOGCLGGACRYZPX-TYXWNHGCSA-N	407.510	4.709	50	20	HJGD	
CC(C)(C)C[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1	1317915689	BGJAWTBRVUUQFO-KRWDZBQOSA-N	418.335	4.571	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3ccc(C)c(Cl)c3)s2)cc1OC	1321204745	QTMOKBMFOZLESY-UHFFFAOYSA-N	403.891	4.546	50	20	HJGD	
Cc1cnn(CC2CC2)c1NC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	1324460655	RSRUEVNWYNKNOK-UHFFFAOYSA-N	421.345	4.788	50	20	HJGD	
COc1ccccc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1	1786012572	KXVQUXWXCLTJKP-UHFFFAOYSA-N	414.933	4.708	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3csnc3C)CCC2)cc1	1786444612	VOZNRYMEWMWLLH-KRWDZBQOSA-N	405.951	4.607	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1	1790707867	RCAGJYICGRMUER-HXUWFJFHSA-N	409.917	4.518	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC)cc2)[nH]n1	1815322177	MFLWUBQUXAGJGY-PKOBYXMFSA-N	416.953	4.686	50	20	HJGD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)CCCCCCCCCCCl)C2)no1	1845124346	DDXRZASNJQHQCQ-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1	15654192	NOPJGEFQSIOEIT-LDADJPATSA-N	419.456	4.796	50	20	HJGD	
CCCn1c(C)c(C(=O)NNC(=S)Nc2cccc(C)c2C)c2cc(OC)ccc21	28615872	ILHMANOVMADNCJ-UHFFFAOYSA-N	424.570	4.617	50	20	HJGD	
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NNc1ccccc1	96952775	GMYWAFMGIOVZAZ-UHFFFAOYSA-N	402.885	4.879	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc([C@@H](C)O)cc3)c2C)cc1	726193162	JWZIUJDDFCGQIH-LSCMLXDISA-N	413.521	4.679	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)C(C)(C)c2ccccc2)c1C	728002714	GLJFMPBMBSKMDQ-NEHQXMDYSA-N	407.558	4.702	50	20	HJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2C#N)c1)c1ccccc1	731320370	YXSMAHMKYXZZMW-ANRKENSESA-N	407.473	4.922	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CCc2ccc(F)cc2)C2CC2)c1C	735017011	UGHMNYHRAJGMER-SDLXJUDFSA-N	423.532	4.592	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCOC[C@H]2c2ccco2)c(C)n1C1CCCCC1	735026126	YIYVOJJMRADXBB-FGGAIWKESA-N	407.514	4.710	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cnc2ccc(Cl)cn12	737444101	NWXJRLMGMOTLTA-SDQBBNPISA-N	401.253	4.504	50	20	HJGD	
CCc1ccc(-c2nc(CC(=O)NNC(=O)c3cccc4ccccc34)cs2)cc1	741575851	PANVQVCEGMTVGT-UHFFFAOYSA-N	415.518	4.529	50	20	HJGD	
CCCOc1c(Br)cc(C(=O)NNc2c(C)cc(C)cc2C)cc1OC	743765419	NZZZESAQEJTMLW-UHFFFAOYSA-N	421.335	4.929	50	20	HJGD	
COc1cccc(F)c1C(=O)NNc1c(Cl)cc(Br)cc1Cl	746315817	OCGJAJYEJVYSCG-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
CN(C(=O)CCCC[C@@H]1CCSS1)C1CCC(NC(=O)OC(C)(C)C)CC1	749441540	FXWKCUMZYFICKZ-OFLPRAFFSA-N	416.653	4.995	50	20	HJGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3ccc(Br)cc3)c2c1	752143070	XYNYUBKXBYEQPE-UHFFFAOYSA-N	412.287	4.640	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C	754565667	FGMWKHBGXPDHPP-ISFBZNNMSA-N	409.505	4.598	50	20	HJGD	
Cc1ccnc(NNC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1	755854650	XSLXNPYVFXSZSD-UHFFFAOYSA-N	418.881	4.562	50	20	HJGD	
N#C/C(=C\c1ccc(Br)c(Br)c1)c1nnc2n1CCCCC2	757528801	ZKLCKFRBFOWYGN-XYOKQWHBSA-N	422.124	4.594	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1F	766262326	VYDDTTPSQTUMIW-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1	767305333	PLCNIRCFMUJDTE-KRWDZBQOSA-N	421.310	4.504	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1	772968995	JGTRKCJBGFXJPE-HUUCEWRRSA-N	406.376	4.955	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c(-c2ccc(C#N)cc2)n1	777869799	ODAITKYSMAIKKR-MOSHPQCFSA-N	403.445	4.658	50	20	HJGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1C	778266646	SSIWQEQKUYAOHR-SECBINFHSA-N	419.245	4.701	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC(CCCO)CC1	782552696	RYVBJIWOGHAUKN-HNNXBMFYSA-N	410.889	4.922	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCC2(CCOCC2)C1	782981625	RLEMZABTIYQAIQ-UHFFFAOYSA-N	421.453	4.925	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1OCCC(=O)O	784961572	GZFQZCYABRUDTK-BOPFTXTBSA-N	406.463	4.736	50	20	HJGD	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)/C(C#N)=C/c3ccc(O)cc3)s2)cc1	787370370	QADHMLAFCSCWNZ-QCUKBLKESA-N	419.506	4.617	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3CCC4(CCCO4)CC3)cc2)n1	788016082	IQZYZNXDVSKMLU-UHFFFAOYSA-N	424.570	4.595	50	20	HJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1cccc(CSc2ccccn2)c1	790505408	YWLYOHZLGMCGSW-UHFFFAOYSA-N	413.434	4.570	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(-c2ccccc2)cc1	792441356	ODQGWRQAIKLYEP-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cncc(N2CCOCC2)c1	792547958	DTEDMJZZOZKZLV-UHFFFAOYSA-N	409.380	4.828	50	20	HJGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21	793074215	WXJPHNADGCWILW-NBVRZTHBSA-N	412.470	4.966	50	20	HJGD	
O=C(NNC(=S)NCCCCC(F)(F)F)Nc1ccc(-c2ccccc2)cc1	794982123	LMUQWMSEYYSAEC-UHFFFAOYSA-N	410.465	4.587	50	20	HJGD	
O=C(NNc1ncccc1F)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	796588642	WKWAJDXUIJRHGY-UHFFFAOYSA-N	412.277	4.723	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(-c3ccnn3C)ccc2C)c1C	798558879	RXQJQPSENAJRPU-FYJGNVAPSA-N	401.514	4.770	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccccc1Oc1ccncc1	801190863	XVGFUONVAHGNQX-UHFFFAOYSA-N	412.287	4.956	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1sc2ccccc2c1Br	811162575	FSPIEPYUVHFVLC-UHFFFAOYSA-N	416.222	4.835	50	20	HJGD	
C[C@@H](OCc1ccccc1)C(=NNC(=O)c1cccc(OC(F)F)c1)C(F)(F)F	811641826	RYJHMEXSIUZKDG-GFCCVEGCSA-N	416.346	4.541	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016996	STHDSSMKEZIIFP-UHFFFAOYSA-N	401.310	4.891	50	20	HJGD	
Cc1cccc(NNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1	912635919	UIFDDRYGEAOLLV-UHFFFAOYSA-N	411.571	4.541	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(C#N)cc2)c(C)n1-c1ccccc1F	914498219	VHINOVWXXDCSKN-XKZIYDEJSA-N	412.468	4.671	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(-c2ccccc2)n1	916140670	FRRDCBAZUMIKTH-WJDWOHSUSA-N	419.847	4.802	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NNC(=O)Cc1ccc(F)cc1	916351083	ADNJEGRPQAOFRY-UHFFFAOYSA-N	412.468	4.680	50	20	HJGD	
CN(C(=O)COC(=O)CCCC[C@@H]1CCSS1)[C@H]1CCCc2ccccc21	917231136	XZWSNQDQNRQCLP-MJGOQNOKSA-N	407.601	4.780	50	20	HJGD	
C[C@H](Sc1ccc(Br)cn1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	919676609	IKSIOELSPGDIJV-JCROAMGPSA-N	418.341	4.847	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCCN1Cc1cccnc1	1327476223	WNVCPRJKIWPJPZ-MRXNPFEDSA-N	413.736	4.540	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(C)C)C(C)C)CCC2)cc1	1786444251	RIBMVUQYLZVKHT-UXHICEINSA-N	422.013	4.551	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc4ncccc4[nH]3)CCC2)cc1	1786446458	FGSMRBONGAFSOK-KRWDZBQOSA-N	424.932	4.718	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3F)CCC2)cc1	1790488193	WDBRVOUOEYLXPO-OAHLLOKOSA-N	424.303	4.639	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)[C@@H](C)CC)C2	1793680359	VQIJWHJIHJDGIL-BGOZWBLRSA-N	419.009	4.862	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1	1820852216	AJGUZJFNLHKISJ-AZUAARDMSA-N	424.932	4.886	50	20	HJGD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)CCCCCCCCCCCl)C3)no1	1842497595	JZXZRQDPXCCJSU-UHFFFAOYSA-N	423.985	4.550	50	20	HJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)C(=O)N1CCCC1	16437996	ASFOULJLGUDYGZ-QGOAFFKASA-N	402.885	4.722	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)[C@@H](C)CC)cc(Br)c1OC(F)F	726428417	LTWOJYCEWJADJX-PQTFEYQYSA-N	402.235	4.971	50	20	HJGD	
Cc1ccc(Cl)c(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1Cl	728443035	OTEUDZIUHYGWNR-UHFFFAOYSA-N	420.321	4.792	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc(C)c1	728785527	GBRIUEVRKIAPEN-CXUHLZMHSA-N	406.873	4.901	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cnccc3C)c2C)cc1	729404630	IOAKIFFLKOGACU-DEDYPNTBSA-N	400.482	4.742	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)cc1OC(F)F	730437145	ZROOXDOHPCLGLD-POHAHGRESA-N	414.227	4.910	50	20	HJGD	
CSc1ccc(N(C)C(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	732939104	KLMCZJIXOMVKMS-UBXANZILSA-N	409.555	4.576	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1	733776547	LIUNWYRLKDFAQW-RCCKNPSSSA-N	422.488	4.852	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCOC[C@@H]2c2ccc(CC)o2)c1C	736059174	UWCYLGCSCGGULK-FBHQFGEZSA-N	409.530	4.568	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3nn(C(C)C)cc3c2)c1C	736117605	ZZWXIWHGSAPLLJ-MZYRPWKCSA-N	419.529	4.789	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c1C	736493663	YBHHQROHNRWTGG-MLPWYGTASA-N	420.557	4.676	50	20	HJGD	
Cc1nccn1CCCCNC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	741708735	JTYMFPUQUBPSBP-JWGURIENSA-N	407.562	4.619	50	20	HJGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1ccc(SCC(F)(F)F)cc1	741762712	QWLLMBHFDMVCQV-UHFFFAOYSA-N	420.416	4.545	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(c3cccc(F)c3)CCOCC2)c(C)n1CC(C)C	744378128	VJUKAFRMKJFWNJ-FYJGNVAPSA-N	423.532	4.629	50	20	HJGD	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)NNc1cccc3c1CCCC3)C2	748573752	JOCMJKVHWLZHDC-OALUTQOASA-N	413.562	4.577	50	20	HJGD	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NNc1cc(F)c(F)cc1F	748796326	VMKWQWZWZRDIPU-UHFFFAOYSA-N	401.388	4.609	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(OC)c(O[C@H](C)CC)c1	749454013	XFICALKMHWJPEO-XWAFYUISSA-N	424.497	4.784	50	20	HJGD	
CN1C(=C(C#N)C(=O)CCC(=O)Nc2cccc3ccsc23)N(C)c2ccccc21	752474307	FTZRIDXUKFGBCL-UHFFFAOYSA-N	416.506	4.510	50	20	HJGD	
O=C(NCCCCN1CCC[C@H]1CO)Nc1ccc(S(F)(F)(F)(F)F)cc1	752976946	IBLYZLLXPGDMEG-AWEZNQCLSA-N	417.444	4.702	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(C(F)(F)F)ccc1F)c1ncc(-c2ccccc2)o1	754648089	YUGPVZDKLYLJMB-LLVKDONJSA-N	408.355	4.887	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2cc(CCC(C)=O)ccc2OC)c1C	756027791	BSVIXJSOWPQLND-KGENOOAVSA-N	408.498	4.558	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)c1	759326243	NLNCRTSYZRHINM-UHFFFAOYSA-N	410.405	4.511	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(Br)c(F)cc1F	760478051	XPWDNDXHDYRNNA-UHFFFAOYSA-N	413.115	4.642	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(OC)c1	760807525	PXNDKXIXXVVCBP-KPKJPENVSA-N	411.255	4.737	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1	762011702	CTMNIUUJQSCHKJ-QIYXJHPLSA-N	414.509	4.583	50	20	HJGD	
O=C(NCC[C@@H](O)c1ccccc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762663095	BROQMJWQVAVVCZ-OAHLLOKOSA-N	424.391	4.522	50	20	HJGD	
O=C(NCCCOC[C@H]1CCOC1)Nc1cccc(S(F)(F)(F)(F)F)c1	762978222	JNJXRAWCBVBRPF-GFCCVEGCSA-N	404.401	4.909	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(F)cc(C(C)=O)c(F)c2F)c1C	763537523	FXBBPULZEMIOEI-NVNXTCNLSA-N	403.404	4.681	50	20	HJGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	766444074	YMAJJLNNYWGMBB-GJZGRUSLSA-N	415.361	4.910	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(F)cc1Br	767760713	ZPJNRRGMBPSNEX-UHFFFAOYSA-N	418.291	4.784	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2C)c([N+](=O)[O-])cc1OCc1ccccc1	767915495	FZNDBECCIPYOFZ-ZDLGFXPLSA-N	418.405	4.874	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(C(=O)NC2CCCC2)cc1	769971003	LTKWVZXYQCEEIO-UHFFFAOYSA-N	406.408	4.526	50	20	HJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1ccc(C(F)(F)F)cn1	775257594	OOQXDILFEUXKGX-UHFFFAOYSA-N	412.824	4.943	50	20	HJGD	
COCCn1c(C)c(C)c2cc(C(=O)NNc3nc4ccccc4cc3C)ccc21	777481447	ILJUIIPVPNCENZ-UHFFFAOYSA-N	402.498	4.518	50	20	HJGD	
Cc1c(I)cccc1C(=O)NNc1ccc(C(C)(C)C)cc1	780808578	IWLRGHVMAXNOFJ-UHFFFAOYSA-N	408.283	4.654	50	20	HJGD	
N#C/C(=C\c1cc(C(=O)O)cs1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	782200269	KZWAGLPPURURBY-BJMVGYQFSA-N	415.883	4.769	50	20	HJGD	
O=C(Nc1cccc(CC(F)(F)F)c1)C(=O)NN(c1ccccc1)c1ccccc1	782821273	JAESDLWRMGHIFE-UHFFFAOYSA-N	413.399	4.599	50	20	HJGD	
O=C(Nc1ccc(F)cc1C(F)(F)F)C(=O)NN(c1ccccc1)c1ccccc1	782821655	URTSSELCBMXXCL-UHFFFAOYSA-N	417.362	4.653	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)CCCC[C@@H]2CCSS2)C1	783844144	HRDRYKQVVHEPJB-BZUAXINKSA-N	402.626	4.653	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc(Oc2ccc(Cl)cc2)nc1	806233722	VJMMIFDHQWUBDG-UHFFFAOYSA-N	410.865	4.733	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1cccnc1Oc1cccc(Br)c1	808248662	PZRORHTYAGOSJZ-UHFFFAOYSA-N	404.091	4.512	50	20	HJGD	
ClCCCOc1ccc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1	811496022	UEDFSWDHYQJPMA-HXUWFJFHSA-N	419.953	4.699	50	20	HJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812245967	ZNUFJVMHEMWHMB-KPKJPENVSA-N	400.225	4.855	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(Cl)ccc2OC(F)F)c(C(F)(F)F)c1	816703310	YTXSEBYWBSXRHI-UHFFFAOYSA-N	410.726	4.726	50	20	HJGD	
CN(C(=O)c1cccs1)c1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1	841249208	LRVNQSFLYXEQDO-UHFFFAOYSA-N	419.428	4.800	50	20	HJGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)Nc1ccccc1Br	868714187	CPXRUQNRSAPDQK-VBKFSLOCSA-N	421.298	4.797	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1	912593984	FWNZJLQRFGRETQ-UHFFFAOYSA-N	410.861	4.926	50	20	HJGD	
CCOc1ccc(C(=O)c2ccccc2C(=O)NNc2ccc(F)cc2)cc1OCC	912709931	SHXLNRWWPGNJPA-UHFFFAOYSA-N	422.456	4.611	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	916308592	NMJPNLPBOYDULY-UHFFFAOYSA-N	414.912	4.640	50	20	HJGD	
COC(=O)c1ccccc1-c1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)o1	916359876	FIWUTCVSKDRGMW-UHFFFAOYSA-N	417.248	4.804	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2Br)c1C	916401399	QLNCOMSEKWUQQQ-DHDCSXOGSA-N	404.283	4.962	50	20	HJGD	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)CCCC[C@H]1CCSS1	918954812	GLYSGHLPMRLPKH-HIFRSBDPSA-N	417.543	4.742	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(F)cc2F)c(C)n1CCC(C)C	919862131	GNKLJHPNWMUNJV-ZDLGFXPLSA-N	414.452	4.762	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2noc(C3CC3)n2)c(C)n1-c1cccc(Cl)c1	920490980	BUWLHTNVWABRQW-RQZCQDPDSA-N	422.872	4.658	50	20	HJGD	
Nc1cnnc(NNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)c1Cl	1116297870	FIGBPKICBQTBFL-UHFFFAOYSA-N	424.675	4.568	50	20	HJGD	
O=C(NNc1cccnc1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1	1319104033	MBQSOVMTGWLDOB-UHFFFAOYSA-N	408.820	4.953	50	20	HJGD	
Cc1ccsc1C(=O)Nc1ccc(C2(NC(=O)CCBr)CCC2)cc1	1787277489	TVLMEFNRSGQNRD-UHFFFAOYSA-N	421.360	4.589	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc4sccn4c3)cc2)CCC1	1788412374	UUHJYSHXJUPSBV-QGZVFWFLSA-N	415.946	4.766	50	20	HJGD	
CCCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)CCl)[C@H]1c1cccnc1	1812694536	UNEVEBAZFGJETD-SXLOBPIMSA-N	422.013	4.569	50	20	HJGD	
CCCCCc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](Cl)CCC)cc1	1847867390	CHDBDXZCNJKNRD-FKBYEOEOSA-N	419.009	4.571	50	20	HJGD	
COC(=O)Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1	26850442	PDAJAAYETONPRW-RCCKNPSSSA-N	419.525	4.871	50	20	HJGD	
Cc1ccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(C)c1	213736816	UXDFORMPXDBMAW-YOYPMJMESA-N	421.541	4.855	50	20	HJGD	
COc1ccc2cc([C@H](C)C(=O)NNC(=S)Nc3cc(C)ccc3C)ccc2c1	725907638	NZANBEGWHAHGMV-INIZCTEOSA-N	407.539	4.587	50	20	HJGD	
CN(C[C@H]1CCCO[C@@H]1c1ccccc1)S(=O)(=O)c1ccc(CCCCl)cc1	726975110	VQIJXHIATLZXBZ-IFMALSPDSA-N	421.990	4.646	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccccc1-c1ncc(-c2ccccc2)o1	728080355	FIQRSNVNZKFKSR-UHFFFAOYSA-N	423.432	4.816	50	20	HJGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1ccc(Br)cc1Cl	728782866	TWODLXSVCZCNNM-UHFFFAOYSA-N	423.694	4.570	50	20	HJGD	
CC(C)Cc1ccc([C@H](NC(=O)NNC(=O)c2cccc3ncccc23)C2CC2)cc1	730125715	QWCSZWZCSWZJEV-QHCPKHFHSA-N	416.525	4.529	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F	730205318	MBHCZJOZNLYFER-UHFFFAOYSA-N	421.859	4.631	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1cc2oc3ccccc3c2cc1OC)c1ccccc1	732233116	OBYGEEHNESVYMW-MRXNPFEDSA-N	417.465	4.941	50	20	HJGD	
O=C(Cc1ccc(Cl)cc1Br)NNc1ccccc1C(F)(F)F	733213180	WLVJJJDTBBNJOT-UHFFFAOYSA-N	407.617	4.807	50	20	HJGD	
O=C(NNc1ncccc1Cl)c1cccnc1Oc1ccc(Cl)cc1Cl	734247475	MDKIRACYWOXLBX-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
O=C(NCc1ccc(-c2nc3ccccc3s2)o1)NNc1c(F)cccc1F	735756289	PXODODUSZVPZQY-UHFFFAOYSA-N	400.410	4.661	50	20	HJGD	
CC1(C)Cc2cccc(C=NNC(=O)c3cc(-c4ccncc4)nc4ccccc34)c2O1	737417019	WJYYCPVYACWOHA-UHFFFAOYSA-N	422.488	4.774	50	20	HJGD	
CCO[C@H]1CC(=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)C12CCC2	741163593	NAQDYDDIBRCWOR-KRWDZBQOSA-N	403.935	4.716	50	20	HJGD	
CCN(CC)C[C@H]1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)C1	742868171	QEXCJCZPJTVSFW-FYYJVHHASA-N	410.606	4.707	50	20	HJGD	
O=S(=O)(Nc1cccc(Oc2ccccn2)c1)c1ccc(CCCCl)cc1	743268640	BUZNVYCLZLOSMB-UHFFFAOYSA-N	402.903	4.846	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2nccc3sccc23)c1	743416062	KODGSJFYUVNPSK-UHFFFAOYSA-N	402.907	4.691	50	20	HJGD	
O=C(NN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cccc2ccccc12	743477272	HXFPMZSREUOMJP-QHCPKHFHSA-N	413.452	4.593	50	20	HJGD	
C[C@@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1	746518057	KIYFUPKVBCOXRC-MRVPVSSYSA-N	406.096	4.865	50	20	HJGD	
Cc1noc(C)c1COc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cc1	747588574	NMCJIGVPOWOFLS-UHFFFAOYSA-N	405.376	4.646	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	748660887	FEIJWGDRJKTOGS-UHFFFAOYSA-N	415.352	4.745	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cnc(-c2ccccc2F)s1	748703508	SWSLFIKTPNSOKA-UHFFFAOYSA-N	411.380	4.647	50	20	HJGD	
O=C(NC1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1)C1CC1	752984238	HREQSTLHHKSXFC-UHFFFAOYSA-N	413.412	4.867	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C	754568615	NHEDDQVKHPMELN-CHNNHVQOSA-N	423.532	4.988	50	20	HJGD	
CC[C@@H]1CC(=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CCO1	756821559	VZUBBGIXMSKQRN-GOSISDBHSA-N	408.527	4.530	50	20	HJGD	
CN1C(=C(C#N)C(=O)CCc2nc(C3CCCCCCC3)no2)N(C)c2ccccc21	762355878	BCIDEJGHFUOIIC-UHFFFAOYSA-N	419.529	4.721	50	20	HJGD	
O=C(NNc1ncnc2ccsc12)[C@H](Sc1ccccc1F)c1ccccc1	766678602	INOWZHOPOVYXCV-QGZVFWFLSA-N	410.499	4.807	50	20	HJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Br)c1)C(=O)Nc1ccccc1F	768268933	JZYZXQUEWIKSLV-XFFZJAGNSA-N	411.177	4.735	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2cc(C#N)cc(Cl)n2)cc1C	768709182	WQGHSELURYTACX-UHFFFAOYSA-N	409.902	4.527	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H](Cn2cnc3ccccc32)C1	773107331	VEXMLJRYCQUBMA-ZWKOTPCHSA-N	403.617	4.989	50	20	HJGD	
CSCC[C@H](C)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773292451	FRMVUBRVDGKVCQ-JTQLQIEISA-N	406.442	4.883	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2cnc3ccccc3n2)c(C)n1C1CCCCC1	774786192	SRJDPGQETKBBFN-UYRXBGFRSA-N	414.513	4.604	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cccc2[nH]c(-c3cccs3)nc12	779216182	BBNXEHVPBJVORU-UHFFFAOYSA-N	418.400	4.947	50	20	HJGD	
Cc1ccccc1CNc1ccccc1NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	779444413	WWSXFSTVZMVCSS-CIAFOILYSA-N	409.493	4.671	50	20	HJGD	
O=C1Cc2cc(NS(=O)(=O)c3ccc(S(F)(F)(F)(F)F)cc3)ccc2N1	782913011	OXSVBZJKMDMLMK-UHFFFAOYSA-N	414.377	4.639	50	20	HJGD	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	783685482	CFWUVVKMMBHASA-NSHDSACASA-N	422.325	4.557	50	20	HJGD	
COc1cc(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)ccc1OCc1ccccc1	785058462	OFKHLGOHOCWUFE-FYJGNVAPSA-N	416.452	4.637	50	20	HJGD	
N#C/C(=C\c1c(-c2ccccc2)nc2sccn12)C(=O)NCc1ccc(F)cc1F	786114743	QOACZLBBZQTZKX-MHWRWJLKSA-N	420.444	4.564	50	20	HJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2csc(-c3ccc(F)cc3)n2)cc1	787154024	IIUQKJOOXNCGGG-SWEABUAFSA-N	407.470	4.742	50	20	HJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)sc2c1	788687036	CTVAGRYRSIOVQI-GHXNOFRVSA-N	413.886	4.821	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1c[nH]cc1-c1ccc2c(c1)OCCO2	791725905	AULLWBIWDLCLIF-UHFFFAOYSA-N	404.253	4.517	50	20	HJGD	
CO[C@]1(C)CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	795293981	VMVPJMTWFNJDDU-CQSZACIVSA-N	409.442	4.924	50	20	HJGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)c3c(Cl)cccc3Cl)cc2)cs1	799329572	DUNSIIVSFXMDRI-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
Cc1cccc(CCCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	807293405	WEXIOJPVZHQLCL-UHFFFAOYSA-N	423.407	4.735	50	20	HJGD	
COC(=O)c1cc(NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C	816688362	OEQIVXIYHGVDMK-UHFFFAOYSA-N	420.309	4.576	50	20	HJGD	
CCOc1ccc(NNC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)cc1	817915834	VGDFJVJDMYEKRI-UHFFFAOYSA-N	404.392	4.560	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(CC(F)(F)F)cs2)c(C)n1CC(C)C	819307212	SAARPWINKBGAFI-GIDUJCDVSA-N	410.465	4.868	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2)c1C	915850564	CXFNGVCMXHPCEB-RGEXLXHISA-N	405.498	4.588	50	20	HJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccccc1I	915851248	HTQBRUGBJRFSRN-UVTDQMKNSA-N	412.230	4.871	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C/C2=Cc3cc(Br)ccc3OC2)c(C)c1	917400174	RQELBLRPBITFKN-RQZCQDPDSA-N	409.283	4.930	50	20	HJGD	
O=C(NN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc2ccccc2c1	917939054	NIRPGRDTGCGFGX-QHCPKHFHSA-N	413.452	4.593	50	20	HJGD	
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NNc1c(Cl)cc(F)cc1Cl	1341475864	GLMUKPUNNNHTIA-UHFFFAOYSA-N	413.667	4.943	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccccn3)CCC2)cc1	1786446031	FLVDFYJYOUFCQW-LPHOPBHVSA-N	413.949	4.727	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)CCC1	1787761773	DXLVEHFBHGLEIG-IBGZPJMESA-N	402.897	4.520	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(F)c3)cc2)CCC1	1787792756	QYQOJQLOBBYVCU-KRWDZBQOSA-N	420.887	4.659	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)CCC1	1790298910	KQKMXNWUHNDPHX-FQEVSTJZSA-N	413.949	4.518	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3Cl)CCC2)cc1	1790484537	QBSDDKRHGZZUHF-INIZCTEOSA-N	406.313	4.500	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1	1790488917	OJOJEYLQVBCKRB-AXVVYFOYSA-N	402.966	4.964	50	20	HJGD	
CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)CCC)[C@@H]1c1cccnc1	1812692371	CSYBYEZXMTYSKD-ZIBCJSCZSA-N	422.013	4.711	50	20	HJGD	
O=C(c1cccc2ccccc12)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)Cl)CC1	1827612600	FNZCGXQBTSITMY-SFTDATJTSA-N	416.924	4.608	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)CC1	1832366862	FNYAWQJJNOURFM-VMXMFDLUSA-N	411.030	4.840	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1	8200901	SZDYVIOIKSGQIG-GZTJUZNOSA-N	404.378	4.565	50	20	HJGD	
Cc1ccccc1-c1nc(C(=O)NNC(=S)Nc2ccccc2C(C)C)cs1	727486682	JOJZYFMFRWZDQR-UHFFFAOYSA-N	410.568	4.873	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c(C)n1C1CCCCC1	727738900	PPLLIRNAHNVDLC-ORTNRGLGSA-N	405.546	4.646	50	20	HJGD	
O=C(NN=Cc1cccc(OCc2ccccn2)c1)c1c(Cl)cccc1Cl	727778531	AGPAJWQZFZLCRW-UHFFFAOYSA-N	400.265	4.731	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nccn2Cc2ccccc2)c(C)n1CC(C)C	728602851	RDDHAHOVHQJESF-LPYMAVHISA-N	401.514	4.551	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cccc(C(F)F)c3)cc2)cc1	729516839	HOZMUDOLCTXHAB-UHFFFAOYSA-N	416.449	4.522	50	20	HJGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H](Oc1ccc(F)cc1Cl)c1ccccc1	730515350	UKPVFFWXQHLKPX-LJQANCHMSA-N	415.808	4.651	50	20	HJGD	
CCOc1cccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c1	731479291	YBZLDOYNPDGNCO-UHFFFAOYSA-N	403.198	4.624	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)c(C)n1CC(C)C	736490068	AGNHCPIKXZDGLG-MEGCXXLRSA-N	420.557	4.532	50	20	HJGD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NNc1ncccc1C(F)(F)F	740093058	GWYQRGOCXBXZMQ-UHFFFAOYSA-N	418.853	4.625	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(Cl)ccc2OC[C@H]2CCCO2)cc1	743058734	LQZMDKCIWLUISH-BDBXIWDTSA-N	417.914	4.545	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2cc(Cl)ccc2OC(F)F)cc1	744778019	HXCSTKUTPLIMII-ZROIWOOFSA-N	406.816	4.563	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1OC	746894690	AZQQSZCKOXCWLX-UHFFFAOYSA-N	407.392	4.521	50	20	HJGD	
C/C(=C/C(=O)NNc1ccc(Br)cc1F)c1ccccc1OC(F)F	748174045	TTZKKJLQDIKEMX-NTMALXAHSA-N	415.209	4.736	50	20	HJGD	
Cc1ccc2nc(COc3ccccc3C(=O)NNc3ccccc3Cl)cn2c1	748317151	DIVDFNRYRSSPCO-UHFFFAOYSA-N	406.873	4.632	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	748796170	FJHFVMZVOMDPPB-NEPJUHHUSA-N	403.429	4.907	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(F)(F)F	750896572	QXIGHORIMRWITN-CXUHLZMHSA-N	404.388	4.799	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1	752303054	BHPGOTNYKHEKOB-LBPRGKRZSA-N	419.230	4.967	50	20	HJGD	
O=C(NCc1ccc(-n2cncn2)nc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752988476	VMKFLDPDMQAZBD-UHFFFAOYSA-N	420.367	4.641	50	20	HJGD	
O=C(CCc1ncc(-c2ccccc2F)o1)NNc1cc(C(F)(F)F)ccc1F	754154194	SVBTZWRJEWFFEF-UHFFFAOYSA-N	411.330	4.715	50	20	HJGD	
CCOCc1cccc(NC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1	756308720	DIFHNQQQAREHNA-UHFFFAOYSA-N	413.474	4.557	50	20	HJGD	
CC[C@H](NNC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccc(Br)cc1	760461887	GIOFARXAEKMHPV-KRWDZBQOSA-N	421.335	4.631	50	20	HJGD	
Cc1cc(Cl)ccc1NC(=O)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	766262285	UDHRSFODPYTVDD-UHFFFAOYSA-N	407.084	4.690	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1	767007719	ONVPOTMPDJOETK-ROUUACIJSA-N	400.320	4.578	50	20	HJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNc3nc4ccccc4s3)cn2)cc1	769959400	LLXSFORUFLLNTA-UHFFFAOYSA-N	402.439	4.504	50	20	HJGD	
O=C(NNc1ccccc1)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	770032486	OIOOKYLZCPRRIO-UHFFFAOYSA-N	416.268	4.789	50	20	HJGD	
Cc1cc(C(=O)NNc2c(F)cccc2Cl)c2cc(Br)ccc2n1	770203196	GKHDNJNPSZMHEE-UHFFFAOYSA-N	408.658	4.855	50	20	HJGD	
C[C@@H](CBr)COC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1	770345058	OAEUWVUTXSAWLS-LBPRGKRZSA-N	421.316	4.556	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C	772428901	OUPVRGGALDAKRR-UHFFFAOYSA-N	420.853	4.661	50	20	HJGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCO2)C(=O)c1ccc(Cl)cc1F	773152357	ZLSXKASGVFRFOG-XCVCLJGOSA-N	408.610	4.760	50	20	HJGD	
C[C@@H](CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)Oc1ccccc1	773251013	HEWKIRGVLAQOES-LBPRGKRZSA-N	424.391	4.866	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2sc(CCOC)nc2C)c1C	773915775	VJBZIUHNLVZVRZ-UEXNTNOUSA-N	415.559	4.680	50	20	HJGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1	782708862	TZDMSLWVVZJTKY-UHFFFAOYSA-N	415.877	4.712	50	20	HJGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	790024100	MSSCMBCJRYXQES-JTQLQIEISA-N	414.318	4.986	50	20	HJGD	
COc1cc(NNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1Cl	790166134	QGTNQBQLTXAGGS-UHFFFAOYSA-N	413.817	4.806	50	20	HJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl	794869011	FGKSVQOMPXWZSB-XFXZXTDPSA-N	401.228	4.864	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(C3CCOCC3)cs2)c(C)n1CC(C)C	804820799	PSJOHXWNXWSEOA-GRSHGNNSSA-N	412.559	4.657	50	20	HJGD	
CC(=O)Nc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C	817015384	ZTFAGAKKZZMHDY-UHFFFAOYSA-N	419.325	4.748	50	20	HJGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	912776691	SOGYLJSMEYCURW-HYARGMPZSA-N	411.505	4.860	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cn3cccn3)c2)c(C)n1CC(C)C	914736400	KRDBHEMDURRVFP-LPYMAVHISA-N	401.514	4.551	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3C)cc2C=NNC(=O)c2ccncc2)cc1	916243120	KCQKOCUMHLKRMF-UHFFFAOYSA-N	409.493	4.569	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	916309433	CHFDBSKHNGMTGG-UHFFFAOYSA-N	424.976	4.868	50	20	HJGD	
O=C(NNc1ccc(F)cc1)c1ccc(COc2ccccc2Br)cc1	917004519	XOYYCYYJICIKJY-UHFFFAOYSA-N	415.262	4.924	50	20	HJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(-n3cnc4ccccc43)cc2)cc1	917603419	KKHOYJWJWAIOAO-RGEXLXHISA-N	421.460	4.530	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2-c2ccccc2)c1	917618820	FDMMKDDVOQBQKS-XDHOZWIPSA-N	414.461	4.925	50	20	HJGD	
N#CCOc1cccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1	917622585	DKSUVASFRIOSGR-GDNBJRDFSA-N	420.881	4.912	50	20	HJGD	
COCCOc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1F	919914201	JWLYBJNTPZHNJH-UHFFFAOYSA-N	409.461	4.594	50	20	HJGD	
Cc1cc(NC(=O)NN(Cc2ccccc2)c2ccccc2)ccc1N1CCCC1=O	1115845074	OZUNFZVVLKBQEZ-UHFFFAOYSA-N	414.509	4.865	50	20	HJGD	
COc1ccc(-c2cc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)ccc2OC)cc1	1321068230	LVGJVHJBPIECEH-AQTBWJFISA-N	400.434	4.622	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(COc3ccccc3OCC)o2)c1C	1322698988	LNXPBDFZZKVYSX-UYRXBGFRSA-N	406.486	4.940	50	20	HJGD	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824013706	QILOBFJZSSYTBF-VQTJNVASSA-N	409.014	4.640	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1	1827982442	RJEJJRVYNBAHEV-JKSUJKDBSA-N	415.361	4.574	50	20	HJGD	
Cc1occc1-c1nnc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)o1	209285643	MTIAYXNFJYVINM-SHTJFRFBSA-N	410.480	4.641	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	727785062	BHFWKTHJGZZMOC-ZWKOTPCHSA-N	413.304	4.640	50	20	HJGD	
CC(C)[C@H](SCc1ccccc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	727791523	LBNFJSFWKAERQD-KRWDZBQOSA-N	411.354	4.712	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCCc3nccs3)c2C)cc1	728966954	GANMDTXLFUGUTI-XSFVSMFZSA-N	404.539	4.515	50	20	HJGD	
O=S(=O)(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc(CCCl)cc1	733251816	WORRBYFIODKXFP-UHFFFAOYSA-N	424.309	4.504	50	20	HJGD	
O=C(CCCc1cccs1)Nc1cccc(C(=O)NNc2ncccc2Cl)c1	734246226	FLFQJHZGSAAIPD-UHFFFAOYSA-N	414.918	4.515	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)C[C@H](C)c3ccccc3C)cc2)cc1	734863313	RUIIWYUSFNIPSE-IBGZPJMESA-N	422.550	4.773	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3nccc4ccccc34)cc12	740759855	BDGHGWSAQZFVKQ-UHFFFAOYSA-N	411.490	4.708	50	20	HJGD	
COc1ccc2oc([C@H](C)NC(=O)NNC(=O)c3cccc4ccccc34)c(C)c2c1	743596219	MXCHONROVDBUSH-HNNXBMFYSA-N	417.465	4.608	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNc3cc(F)c(F)c(F)c3)cc12	746701237	JMWHITBSYKKRLB-UHFFFAOYSA-N	420.391	4.709	50	20	HJGD	
Cc1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1I	748012706	PRYGDJIDOXCNNK-UHFFFAOYSA-N	421.065	4.663	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Br)cc2C)cnn1-c1ccc(C)cc1	748737009	MYVJOODVVUVXIR-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NNc3ccc(Cl)c(F)c3)c12	748875949	ABKNONVABGVHJY-UHFFFAOYSA-N	414.799	4.887	50	20	HJGD	
Cc1nnc(SCc2c(C(=O)NNc3cccc(F)c3)oc3ccccc23)s1	749267461	IEWAIXLEMSCMJP-UHFFFAOYSA-N	414.487	4.781	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3ccc(F)cc3)CC2)c1C	752455822	FMZUKILRGRSBAW-PVFDWLMNSA-N	423.532	4.765	50	20	HJGD	
CCn1nccc1/C=C(\C#N)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1	753683526	STUQCGBUHOXUMX-KPKJPENVSA-N	418.309	4.879	50	20	HJGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccccc1-c1cccs1	755582386	MHGZMZYKQDPYAV-UHFFFAOYSA-N	403.463	4.740	50	20	HJGD	
COc1cc(C)ccc1Oc1ccc(NC(=O)NNC(=O)CC(C)(C)C)cc1F	756213393	WGPGLRYYCQQNCK-UHFFFAOYSA-N	403.454	4.524	50	20	HJGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1	756466938	RKIPLLWOMKGRTE-UHFFFAOYSA-N	422.488	4.811	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2(C#N)CCSCC2)c(C)n1-c1ccc(Cl)cc1	757988171	CBTZCIPPBRFTNE-PDGQHHTCSA-N	424.957	4.560	50	20	HJGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccccc1Oc1ccc(Cl)cc1Cl	759284960	CPKUNPLVSRQTKI-UHFFFAOYSA-N	419.224	4.846	50	20	HJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(COc2ccccc2)cc1	761581465	RUOIBXZJEPRHMP-UHFFFAOYSA-N	402.372	4.921	50	20	HJGD	
Cc1nn(-c2ccc(C(=O)NNc3ccc(OC(F)(F)F)cc3)cc2)c(C)c1Cl	761600567	ZDTWSILUJHTVHW-UHFFFAOYSA-N	424.810	4.798	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1nc(C(C)C)n2ccccc12	762604137	MRNDJABXCNEDJI-GDNBJRDFSA-N	408.889	4.974	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCc2ccccc2CC1	762660546	XTQBAOZOLPXAOG-UHFFFAOYSA-N	420.403	4.910	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(Cl)c2ccccc12	765919111	NAXMQEFMVHLSRX-AWEZNQCLSA-N	420.900	4.609	50	20	HJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(C)n1Cc1ccccn1	768011563	CCSCAJFEWSWLSG-UHFFFAOYSA-N	407.276	4.751	50	20	HJGD	
COc1ccc(C(=O)Nc2ccc(C(=O)NNc3c(F)cccc3Cl)s2)cc1	770197386	MTTBOUXDHHNUPF-UHFFFAOYSA-N	419.865	4.558	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc3ccc(Br)cc3n2)n1	771521606	UBDDFKMPUOVNID-KPKJPENVSA-N	414.284	4.695	50	20	HJGD	
CC(C)C[C@H]1COCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777947005	GTCBTSAGPGBGKY-LBPRGKRZSA-N	409.442	4.780	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1coc(-c2ccc(Br)cc2F)n1	778931838	FXNCJNAJJBXHDS-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2cc(Br)ccc2[nH]1	779206765	CYUZKEPGHDZBBP-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccccc1C(=O)c1ccc(F)cc1	779209340	LCELTUPUHRWZQI-UHFFFAOYSA-N	418.346	4.712	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)n1CCC(C)C	780149578	OTSCXOSMNCTBHR-LANLRWRYSA-N	404.514	4.988	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(Oc3ccccc3F)nc2)ccc1Cl	788687598	LUDOAXADGCTOKN-UHFFFAOYSA-N	402.813	4.824	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2c(F)cccc2Cl)c1C	790094549	UBHINRDXGGNQPC-YQYFLZKSSA-N	417.912	4.670	50	20	HJGD	
O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccsc1Cl	790143236	DBANLHBXNNVDDE-UHFFFAOYSA-N	400.887	4.510	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1	792533988	HXRWHYBHUYRTLB-GDNBJRDFSA-N	408.458	4.597	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cscc1Br	794877356	FIMLKVGEQCYACG-UHFFFAOYSA-N	406.330	4.706	50	20	HJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(C#N)cc1C(F)(F)F	807473972	PNCGCNVOEMNSCS-UHFFFAOYSA-N	415.371	4.520	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc1OC	810217539	GUEWLYQENXXYPS-MLPAPPSSSA-N	406.663	4.910	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC(F)F	915985239	RKYSHPHXBGECQJ-NTUHNPAUSA-N	422.815	4.853	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc(C)n(Cc2ccco2)c1C	916348740	FWHURMIDOFLTCC-UHFFFAOYSA-N	418.522	4.942	50	20	HJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cnn(-c2ccc(Cl)cc2Cl)c1	919881306	RMFRVWKMAAJUSP-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H]2CCSc3ccccc32)c(C)n1C[C@H]1CCCO1	1344018987	YPFKTKNFNSKQQU-ZZFKQEHHSA-N	422.550	4.971	50	20	HJGD	
Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)cc1F	1786331997	ULNKLTZPNNWMQB-FQEVSTJZSA-N	420.887	4.735	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCCC(F)(F)F)CCC2)cc1	1790488288	ZDIBXOQIKDUWHH-HNNXBMFYSA-N	404.860	4.871	50	20	HJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(C)c(OCc3ccccn3)c(C)c2)cc1	36834873	WDKCQNUHCXHCPB-OEAKJJBVSA-N	418.518	4.924	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc(Br)c1O	63412581	RCXPEZSGOQALTH-MLPAPPSSSA-N	414.284	4.746	50	20	HJGD	
CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1	110211024	FPZNYPVRPDTMGV-UHFFFAOYSA-N	408.951	4.643	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(N(C)CCC#N)cc2)c(C)n1CC(F)(F)F	212176138	QTVCHZSPBAJSOP-PDGQHHTCSA-N	414.431	4.807	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)[C@H](C)CC)cc(Br)c1OC(F)F	726428414	LTWOJYCEWJADJX-GWHHBTOMSA-N	402.235	4.971	50	20	HJGD	
O=C(NNC(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1c[nH]c2ccccc12	729966590	MNVKGUWJYZHUFU-OAQYLSRUSA-N	419.481	4.602	50	20	HJGD	
O=C(NNc1ncccn1)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1	730210248	MBSHTGSJZXKMOY-INIZCTEOSA-N	405.310	4.760	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1	730227167	VWXWPSJSROTDTJ-SAPNQHFASA-N	418.522	4.808	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc1	732175943	DGQAAYQRRGJBNI-VUODPORTSA-N	402.416	4.758	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2F)ccc1OC(=O)c1cccs1	732576900	BEACPFJJVGZUGH-PTNGSMBKSA-N	407.422	4.905	50	20	HJGD	
Cc1ccc(-c2nc(C(=O)NNc3ccc(Br)cc3Cl)cs2)o1	733808328	NUIUXSBIYZYXNX-UHFFFAOYSA-N	412.696	4.884	50	20	HJGD	
O=C(NNc1nccc2sccc12)c1cc(-c2ccccc2)nn1-c1ccccc1	734246723	JNRFMQURFRGCMT-UHFFFAOYSA-N	411.490	4.906	50	20	HJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cccc(Nc2ccccc2)c1	735656415	OYVDABVWRZUXNT-UHFFFAOYSA-N	400.265	4.812	50	20	HJGD	
CC[C@H](NNC(=O)c1ccc(OCCC(C)C)c(OC)c1)c1ccc(F)cc1F	738418633	YUWSEXWPVZPQFA-IBGZPJMESA-N	406.473	4.784	50	20	HJGD	
CCc1cc(NNC(=O)[C@H](SCc2ccccc2)C(C)C)nc(-c2ccccn2)n1	738531791	MLZFKLHGYHALHT-OAQYLSRUSA-N	421.570	4.502	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)cc1C	738555770	JVJMMFSENQYNTD-CQSZACIVSA-N	409.477	4.519	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2ccncc2)c(C)n1-c1ccc(F)cc1	743723253	QNTRBAULTSWCCI-JPOGYNCRSA-N	402.473	4.755	50	20	HJGD	
N#Cc1cccc(NNC(=O)c2ccccc2OCc2cccc(Br)c2)c1	748029840	XQFWJXJEDWRALN-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)c1cc2ccccc2o1	749824042	VGLHPEMXCNNATG-UHFFFAOYSA-N	406.873	4.712	50	20	HJGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1C1CC1	757816939	BOMQPQJBTICNKF-JTQLQIEISA-N	410.305	4.505	50	20	HJGD	
C[C@@H](C(=O)NNc1ccccc1Br)c1cccc(C(=O)c2ccccc2)c1	761996868	SIEJEJJHYSIBCZ-OAHLLOKOSA-N	423.310	4.927	50	20	HJGD	
N#C/C(=C\c1cc(Br)cc2c1OCC2)c1nc(-c2ccncc2)cs1	764914699	HXTBXZJPJMTUQP-VIZOYTHASA-N	410.296	4.967	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(F)cn1	770594667	MYZRTMUUBPCDLO-UHFFFAOYSA-N	419.485	4.543	50	20	HJGD	
COc1ccc(-c2cc(C(=O)NNc3ccnc(Br)c3)sc2C)cc1	771542528	YWGSEOHHVWKICO-UHFFFAOYSA-N	418.316	4.647	50	20	HJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1nccnc1C(C)C	772892182	ZJNMBZBUNKZZNR-UHFFFAOYSA-N	412.497	4.518	50	20	HJGD	
CC1(C)CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	774341350	NAPYTNQKZMXWNI-LBPRGKRZSA-N	407.426	4.975	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc2c(F)cc(Br)cc2[nH]1	775269349	JVLPMMVIPLCSFI-UHFFFAOYSA-N	418.053	4.528	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@H](N2CCCCC2)C1	777939154	LVQNWSDXIGKOCW-ZDUSSCGKSA-N	420.469	4.593	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(C2SCCS2)cc1	779201899	QJSUYDZOMKQBKO-UHFFFAOYSA-N	400.447	4.821	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cccc(Br)c1Cl	780344002	NZMKQZMMHWLBNG-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
COC(=O)COc1c(C)cc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1C	780526023	AANBQVLRBLKWEX-RQZCQDPDSA-N	417.383	4.664	50	20	HJGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl	786678894	HZSXNJKEKLPZLY-BAQGIRSFSA-N	408.068	4.642	50	20	HJGD	
CCc1c(C(=O)NNc2c(F)cc(F)cc2Br)cnn1C(CC)CC	790677694	WQOKFUXCLIEBSF-UHFFFAOYSA-N	415.282	4.604	50	20	HJGD	
CSSCCNC(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21	790880160	RCNVIRZRFUSCRD-INIZCTEOSA-N	411.593	4.721	50	20	HJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNC(=O)c1ccc2ccccc2c1	793102679	FDJTZZPRRWVLON-UHFFFAOYSA-N	419.481	4.570	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3ccc(F)cc32)c1C	794056709	AUGCMSWBBKFKCU-KKHMMVPKSA-N	409.505	4.552	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(O[C@H](C)C(=O)O)cc3)n2)cc1	794690219	HMELHTWVRKFMLN-RQNDZEIBSA-N	406.463	4.735	50	20	HJGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)c1cc(Br)c[nH]1	799475137	XMKWUJVKMUQPBF-UHFFFAOYSA-N	401.308	4.732	50	20	HJGD	
O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1	804877141	DVBDUUHIDDWHFM-ZWKOTPCHSA-N	414.637	4.750	50	20	HJGD	
C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	805110647	CCLLFWLZNNOVEQ-WFASDCNBSA-N	420.469	4.591	50	20	HJGD	
CSCC(C)(C)C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	810667356	IBDAXGKKMSGLJM-UHFFFAOYSA-N	413.455	4.538	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)CCOc2ccccc2-c2ccccc2)cc1C	915598258	PJMABCWUZPNBLC-UHFFFAOYSA-N	419.550	4.757	50	20	HJGD	
C[C@H](CNC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1	915904159	PPNULVOHKFFNAV-GOSISDBHSA-N	424.504	4.650	50	20	HJGD	
Cc1cccc(NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1	916162941	UHKCXPIOUVPNNO-UHFFFAOYSA-N	424.298	4.767	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1ccc2ccccc2n1	916243177	YTMYECLKXDRNKA-UHFFFAOYSA-N	424.291	4.800	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(O)c3c(C)c(C)sc3n2)cc1	916615292	RDYXQCKKXUEHRZ-ATTDUZETSA-N	423.494	4.624	50	20	HJGD	
COc1ccccc1/C=C(\C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	918595379	PEJKMDPXFPYPDX-AQTBWJFISA-N	423.856	4.941	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1cccc(N2CCOC2=O)c1	920928833	GZLBBLVPRPAKKC-UHFFFAOYSA-N	415.664	4.752	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OC)c1C	921259073	IQINGKMBWHIYHM-MLPAPPSSSA-N	421.280	4.914	50	20	HJGD	
O=C(NNc1cncc(Br)c1)/C(=C/c1ccc(F)cc1)c1cccs1	1319527645	VUGCIZCEVVXHHE-LZYBPNLTSA-N	418.291	4.729	50	20	HJGD	
Cc1sc(C(=O)NNc2cncc(Br)c2)cc1-c1ccc(F)cc1	1319632201	YSSIKVYXODHSCE-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)Oc1ccccc1	1791143654	MVYRBOXSEVKMJB-QRWLVFNGSA-N	418.896	4.513	50	20	HJGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)CCCCCCCCc2ccccc2)C1	1847026955	KTHIMCPPRDJSIP-NRFANRHFSA-N	422.972	4.698	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	7918962	NOMJPZFINLHBIL-NTCAYCPXSA-N	406.829	4.893	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C	10408004	STVSQIFQVFJBBZ-FBJMNJBLSA-N	421.419	4.757	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1	725726274	SSNHPRAINLOVQH-LUTBZEOJSA-N	400.400	4.683	50	20	HJGD	
CCCC1C/C(=C/c2cnn(CCCl)c2)C(=O)/C(=C\c2cnn(CCCl)c2)C1	728695370	VDASSLYNLWOJLU-PZRYXVKFSA-N	421.372	4.803	50	20	HJGD	
CC(C)(C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccccc1	731477316	CZNWAMNAWVGBJR-UHFFFAOYSA-N	401.226	4.889	50	20	HJGD	
CSc1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1	731478981	LXQQYHXOKUWULQ-UHFFFAOYSA-N	405.239	4.947	50	20	HJGD	
CN1CCC[C@@H](CN(C)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	735864743	VHATYQJTIDRASJ-DOMZBBRYSA-N	409.905	4.711	50	20	HJGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	743310706	CXWJGHNLZCNQTD-UXHICEINSA-N	413.304	4.640	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(Oc2ccncc2)c(Cl)c1	748637019	FHJDBBHEQZHERW-UHFFFAOYSA-N	405.788	4.886	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc2c(C(C)C)nn(C)c2s1	748731392	KEBMQBDSPXJRKR-UHFFFAOYSA-N	407.337	4.586	50	20	HJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)c3ccc4ccccc4n3)s2)cc1	749809554	GDVCIJSTHTUZKV-UHFFFAOYSA-N	416.506	4.708	50	20	HJGD	
Cc1cccc2[nH]c(COC(=O)/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)cc12	754705782	XVTHOSIXYRJDFN-JGZDWKDESA-N	417.509	4.724	50	20	HJGD	
CCCCSc1ccc(Cl)cc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	754846513	QWOAAZACXIITNQ-UHFFFAOYSA-N	415.946	4.717	50	20	HJGD	
O=C(NNC(=O)c1cccc(Cl)c1)Nc1ccc(Oc2ccc(Cl)cn2)cc1	756787981	AIMVUTFQRMYNHO-UHFFFAOYSA-N	417.252	4.647	50	20	HJGD	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NNc1c(Cl)cccc1Cl	763617827	SQMJGQQDOHOLKH-UHFFFAOYSA-N	410.282	4.966	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)cc1	764411991	PHHHPJZTOJQLJR-RGEXLXHISA-N	402.425	4.959	50	20	HJGD	
N#C/C(=C\c1n[nH]c2cc(C(=O)O)ccc12)C(=O)Nc1ccccc1Oc1ccccc1	765501087	USJUZCMHYSRUCP-DTQAZKPQSA-N	424.416	4.599	50	20	HJGD	
COc1ccccc1CN(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772926334	BGJRZAMQUPIASC-UHFFFAOYSA-N	424.391	4.950	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1cccc(C(F)F)c1Cl	773696610	GPMJFUCFZCHIOI-UHFFFAOYSA-N	408.619	4.666	50	20	HJGD	
N#C/C(=C\c1ccc(Br)cc1[N+](=O)[O-])C(=O)c1ccc(OC(F)F)cc1	776259219	FNPOVCLKCDSPME-KPKJPENVSA-N	423.169	4.749	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)c1OC(F)F)c1ccccc1	776725293	ITRMHSWJFUZLDX-XBUHWIKASA-N	421.241	4.835	50	20	HJGD	
CN(C(=O)/C(C#N)=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1CCCCC1	777466594	AQDQMYCOOPTGIW-WQRHYEAKSA-N	416.447	4.648	50	20	HJGD	
C[C@]1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCO[C@@H]1C1CC1	778071681	IFDBSTWHRZDFSJ-HUUCEWRRSA-N	421.453	4.828	50	20	HJGD	
Cn1c([C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c2ccccc2)nc2ccccc21	781080124	LUAABSLFNIBWSC-ZWKOTPCHSA-N	414.347	4.589	50	20	HJGD	
COc1cc(C(=O)NN=C(C)CCc2n[nH]c3ccccc23)ccc1OCCC(C)C	782222892	GIKASOCMJIAFPF-UHFFFAOYSA-N	422.529	4.735	50	20	HJGD	
Cc1ccc(Br)cc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782821512	LRFNXNQKBGYKSU-UHFFFAOYSA-N	424.298	4.566	50	20	HJGD	
COc1ccc([C@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)c2ccccc2Cl)cc1	787383040	ZIJHJHOBCRKQAH-OTRAAIJSSA-N	418.880	4.867	50	20	HJGD	
COc1ccc2c(c1)CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H](c1ccccc1)C2	787422854	AICFOOLTSILKHD-BCHRQABDSA-N	410.473	4.634	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(Br)cc2)c1C	789930895	JCPWFOUYKAVXDL-FBJMNJBLSA-N	417.303	4.587	50	20	HJGD	
CC(C)(C)C(=O)Cn1cc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)nn1	792550056	MIPBTMDSMUFEEN-UHFFFAOYSA-N	412.384	4.803	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NN=c1cc[nH]c2ccccc12	798109955	UKGQEFPRYGLLKJ-UHFFFAOYSA-N	413.264	4.684	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(-c3ccccn3)cs2)c1C	800341897	VPCIAPMNIGRCKK-WOJGMQOQSA-N	406.511	4.684	50	20	HJGD	
CCOCCC1(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)CCCC1	804210503	ZWZWTNPLVJJLKV-UHFFFAOYSA-N	422.451	4.593	50	20	HJGD	
Cc1ccc(Cl)cc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804211925	YXUBQRWDCRGSLH-UHFFFAOYSA-N	406.795	4.881	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCCC(F)(F)C2)c(C)n1C[C@H]1CCCO1	814131736	KPADZBZURIFTTG-XXIZSCBISA-N	419.516	4.523	50	20	HJGD	
CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCCO1	815111775	YSTQKENNLDFZHO-AWEZNQCLSA-N	409.442	4.780	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)nc(C)n3C2CC2)c1C	819727234	CFTHKUABGRYMJJ-BKUYFWCQSA-N	415.541	4.731	50	20	HJGD	
CCOc1ccc(N(CC)C(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)cc1	914520104	WMSHUVQAIXCXRH-SBGXLDQMSA-N	409.530	4.671	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(OC(C)C)c(OC)c2)c1C	914841907	ABENSTBEHCLKBG-BKUYFWCQSA-N	409.530	4.534	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)Cc1ccc2ccccc2c1	915976608	OVOPWLDNNREYIN-UHFFFAOYSA-N	416.912	4.739	50	20	HJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cccc4c3OCO4)n2)c1	915986073	UFIHODOMANJEIE-CXUHLZMHSA-N	403.463	4.701	50	20	HJGD	
Cc1ccc(SCC(=O)NN=Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1	916345817	NLEMUEPYULOKRH-UHFFFAOYSA-N	416.909	4.524	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCCCC(=O)Nc2c(C)cc(C)cc2C)cc1	916599427	QHWKBIITIWAFTM-RCCKNPSSSA-N	420.509	4.880	50	20	HJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1csc(COc2ccc(Cl)cc2)n1	918713110	KSMRMODCDBGPHR-HBIGULSDSA-N	415.946	4.977	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc([S@](C)=O)cc3)c2C)cc1	1252189335	BWAYOUDRCQEFNL-UBYRCBJFSA-N	417.534	4.686	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cn[nH]c2-c2ccc(Cl)cc2)c1	1317711418	JHYWHSQCJNJPHG-UHFFFAOYSA-N	410.905	4.691	50	20	HJGD	
COc1ccc(CNc2ccc(S(F)(F)(F)(F)F)cc2)cc1OCC(N)=O	1327204478	CYDOHBUHFVCPDH-UHFFFAOYSA-N	412.380	4.829	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831695658	DZXIPBZVKOMMSE-WLRLJWMZSA-N	411.030	4.840	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1	1832386654	UVYLFKYZAGXQKL-PLMQIDHYSA-N	423.041	4.984	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)c2ccoc2C)cc1OC	11294997	SHNHBNLDHPMBFY-RIYZIHGNSA-N	402.244	4.714	50	20	HJGD	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2ccccc2F)cc1OC	212677459	RUOSZGPQMSLWRJ-JYRVWZFOSA-N	404.235	4.785	50	20	HJGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1sc2cc(Cl)ccc2c1Cl	729450004	NHNKZUNDDVDOTP-UHFFFAOYSA-N	418.305	4.624	50	20	HJGD	
O=C(CC1CCCC1)NNC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	730033335	RYLLENJMGFPCSU-FQEVSTJZSA-N	404.482	4.526	50	20	HJGD	
Cc1ccc(Oc2ccccc2CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cc1	730224444	SKQIFNJCHKRJPF-CIAFOILYSA-N	410.477	4.529	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)c(Cl)c1OC	730433904	JXSJNADIDIZHNH-GHXNOFRVSA-N	401.875	4.749	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cc2ccccc2nc1N1CCCCC1)C1CCCCC1	732804661	VPKJHTBKCIQDQM-HEHNFIMWSA-N	402.542	4.923	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H](CN3CCCC[C@H]3C)C2)c1C	733779875	SLOVSJFIQQQCLA-BZQFHGMESA-N	410.606	4.535	50	20	HJGD	
O=C(NNc1cnccn1)c1cccc(CSc2cc(Cl)ccc2Cl)c1	734244951	AIZUZOSVUNWWTE-UHFFFAOYSA-N	405.310	4.833	50	20	HJGD	
COC1CCC(N(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)CC1	734353093	ZKVXPDUSMNEGNX-QNGOZBTKSA-N	405.542	4.726	50	20	HJGD	
O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NNc1c(F)cccc1F	735695918	LSQFBCSFEUILPU-UHFFFAOYSA-N	402.828	4.883	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)ccc1OCC(F)(F)F	741470479	SCWYQHLUWMOCGH-RIYZIHGNSA-N	402.376	4.670	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc(N3CC=CC3)c2)c(C)n1CCC(C)C	741949426	ZMDBHEWWHJUZSF-JLPGSUDCSA-N	416.569	4.751	50	20	HJGD	
Cc1ccc2nc(COc3ccccc3C(=O)NNc3ccc(Cl)c(F)c3)cn2c1	746697472	WEGXRXLHYYCDBL-UHFFFAOYSA-N	424.863	4.771	50	20	HJGD	
Cc1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1NC(=O)c1ccncc1	748009403	IUTITFNBJBUBJR-UHFFFAOYSA-N	415.280	4.706	50	20	HJGD	
CCc1c(C(=O)NNc2ccccc2Br)cnn1-c1cccc(Cl)c1	748059734	RDQYENRGXFFDLH-UHFFFAOYSA-N	419.710	4.608	50	20	HJGD	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)NNc1ccc(OCC(F)(F)F)cc1	748701794	BVZXBPPMJFYUPH-ODDCISTRSA-N	408.420	4.962	50	20	HJGD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCC[C@@H]2CCSS2)cc1	750874799	OLGWPJZAMSXSDU-LEWJYISDSA-N	422.660	4.974	50	20	HJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1	751787848	ASOPHPGWDVQISJ-OBGWFSINSA-N	406.461	4.779	50	20	HJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NNc1cc(Cl)ccc1Cl	752813453	WSORTDHHXHWGIP-UHFFFAOYSA-N	409.704	4.957	50	20	HJGD	
CC[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CC[C@H]1NC(=O)OC(C)(C)C	757365460	QTFALEMUJIWXSO-BRWVUGGUSA-N	416.653	4.852	50	20	HJGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1ccc2cc(Br)ccc2c1	757702592	HYECPQYIGCNXGB-UHFFFAOYSA-N	423.270	4.550	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ncco3)ccc2C)c1C	759849686	QDVKCHAISONSOE-BYINCCNUSA-N	418.497	4.821	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nnn(Cc2ccc(F)cc2)c1C	766389505	QRKPLWDEVSNMCF-UHFFFAOYSA-N	423.517	4.724	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(OC(F)F)c(Br)c2)c1	768269507	PYXVUGPOERJLMP-NTUHNPAUSA-N	408.198	4.849	50	20	HJGD	
COc1ccc(-c2ncc(C(=O)NNc3cc(Cl)cc(Cl)c3)s2)cc1OC	768282575	XINSEYVEWWIWLK-UHFFFAOYSA-N	424.309	4.891	50	20	HJGD	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1	769971762	VCFPHSFCNHPQKS-AWEZNQCLSA-N	420.435	4.869	50	20	HJGD	
COc1c(Br)cccc1/C=C(\C#N)C(=O)c1ccc(OC(F)F)cc1	773914081	BEYBTUJDKHBYTB-UKTHLTGXSA-N	408.198	4.849	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(Cl)cn2)c(C)n1C[C@H]1CCCO1	781717856	RUQIEJNMJQEDKI-TWARNOMTSA-N	413.905	4.544	50	20	HJGD	
CCNC(=O)Nc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	785994840	VWDOPSDSNHBGGM-JAIQZWGSSA-N	421.545	4.756	50	20	HJGD	
N#CCc1ccc(OCc2cccc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)c2)cc1	787046083	ZWLYDCYQVXFSHP-KGENOOAVSA-N	409.445	4.583	50	20	HJGD	
Cc1cncc(CCC(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	794354860	UCVLBNJXMHYPLD-UHFFFAOYSA-N	403.107	4.535	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)C1CCOCC1	794953876	PIVCRIFKIXZYPN-LFIBNONCSA-N	412.829	4.943	50	20	HJGD	
Cc1noc([C@H]2CCCN2S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1	796254946	MCTSQIKXTOVBGQ-GFCCVEGCSA-N	419.397	4.561	50	20	HJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2c(OC(F)F)ccc3ccccc23)cc1	797314438	NOMBSXSPIHDXQD-ATVHPVEESA-N	408.404	4.673	50	20	HJGD	
COCc1c(C(=O)NNc2ncnc(Cl)c2C(C)C)sc2cccc(F)c12	798142649	NXPDUKWXSUHXKE-UHFFFAOYSA-N	408.886	4.511	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1	807121883	MVTAUZXMFCYWAH-UHFFFAOYSA-N	413.868	4.984	50	20	HJGD	
C[C@H]1CN(c2ccc(CNCc3ccc(OCCCCl)cc3)cc2F)C[C@@H](C)O1	811474544	LDPAKDQUZDTPCQ-HDICACEKSA-N	420.956	4.737	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@H]1CCCCC12CCCC2	812869385	ZAFDVKJURGBZJA-KRWDZBQOSA-N	412.559	4.566	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1	813051063	HXPPPOQXOOFGNJ-UHFFFAOYSA-N	417.513	4.592	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1cc(Br)c2ccccc2c1	816156661	CGUCUVFDPQIZPG-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
O=C(NNc1ncccn1)c1oc2ccccc2c1CSc1ccc(Cl)cc1	913044043	LEYZHFJQGXDJEY-UHFFFAOYSA-N	410.886	4.925	50	20	HJGD	
COc1cc(C=NNC(=O)c2cc3c(s2)CCC3)c(-c2ccccc2)cc1OC	915271070	YXCAZWOKOCDFPX-UHFFFAOYSA-N	406.507	4.685	50	20	HJGD	
N#C/C(=C/c1ccc(Br)cc1F)S(=O)(=O)c1ccc(Cl)cc1	916152827	OEYIXECJIZHHGD-AUWJEWJLSA-N	400.656	4.580	50	20	HJGD	
CS(=O)(=O)c1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	918155725	IYHNNDCOBSZKDO-WQLSENKSSA-N	408.426	4.783	50	20	HJGD	
Cc1ccccc1NC(=O)NN=Cc1csc(COc2ccc(Cl)cc2)n1	918712347	LCKBJKVKQARAQC-UHFFFAOYSA-N	400.891	4.840	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)c1ccccc1OCc1ccccc1	919656973	LWZUTVXQZAZRDG-MRXNPFEDSA-N	423.900	4.624	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1OC	921138458	MDSWTTUCWVXARP-BASWHVEKSA-N	407.209	4.709	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OC	921259598	VFSYZBZAFPALOJ-AWNIVKPZSA-N	421.280	4.914	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCN(c3cccc(F)c3)CC2)c(C)n1CC(C)C	1116105243	VDJSMTKZUJKSLF-FYJGNVAPSA-N	422.548	4.592	50	20	HJGD	
Cc1ccc(NNC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)cc1Cl	1322457023	XPETZWUNDCKCEQ-UHFFFAOYSA-N	400.812	4.915	50	20	HJGD	
CCc1cc(NNC(=O)c2ccc(-c3ccccc3)s2)nc(-c2ccccn2)n1	1323071684	HLPZJDJYDJUKGS-UHFFFAOYSA-N	401.495	4.586	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1	1791360571	XJTAMBZYOZVTCS-GOSISDBHSA-N	421.379	4.874	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(C#N)/C(O)=N/c2nnc(CC(C)C)s2)c1C	24691381	SHTXHYUYRIVRPC-IREQLNLFSA-N	401.536	4.558	50	20	HJGD	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)NNC(=O)c3ccccc3F)o2)cc1	26457283	YFDWXEINPLQNHF-UHFFFAOYSA-N	415.424	4.531	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2)c(C)n1CCC(C)C	211244404	ZHGWACLHGFVMHA-BWCLHNGZSA-N	407.514	4.628	50	20	HJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	211684843	BDPDZNNPNZHCHQ-XGHPXPSOSA-N	409.442	4.671	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=NNC(=O)c2cccc(C#N)c2)cc1	728784836	LZQYAQOFTFDKOT-UHFFFAOYSA-N	423.451	4.622	50	20	HJGD	
Cc1nc2c(s1)[C@@H](N(C)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C)CCC2	732033070	AMTXFSNDLBGGMY-RZXXJPOTSA-N	410.587	4.969	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	732926388	OFTJPFPTGZKGNN-XYOKQWHBSA-N	412.314	4.861	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccn(-c4ccncc4)n3)c2C)c1	733769643	LKKVZEQREYSMFJ-RCCKNPSSSA-N	422.492	4.529	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cc(C(C)C)no2)c(C)n1-c1ccc(F)cc1	733944970	SBKAWADQUSIXLU-ZDLGFXPLSA-N	406.461	4.568	50	20	HJGD	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1ncccc1Cl	734246373	SHGMCSVKFQUEQR-NSHDSACASA-N	423.325	4.808	50	20	HJGD	
CCCCC[C@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1	745804401	AFGIOQWYJRSTHM-SFHVURJKSA-N	420.460	4.945	50	20	HJGD	
C[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccc(-c2ccncc2)cc1	746052419	CUMYXRRUVIOELT-KRWDZBQOSA-N	414.958	4.960	50	20	HJGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)c3cc4ccccc4o3)c2Cl)cc1	749822537	DRNDRASAGJOYJQ-UHFFFAOYSA-N	406.873	4.712	50	20	HJGD	
CCOC(=O)N1CC[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752975064	CGZSOSWCGMLCBQ-LLVKDONJSA-N	403.373	4.696	50	20	HJGD	
CCCc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)cnn1-c1cccc(F)c1	753398831	HRUBIOKCHFEPAE-UHFFFAOYSA-N	423.879	4.922	50	20	HJGD	
Cc1ccnc(Oc2ccc(NS(=O)(=O)c3ccc(CCCCl)cc3)cc2)n1	753980427	JUGKYSUHBLKLTM-UHFFFAOYSA-N	417.918	4.550	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc3c(C)cccc3[nH]2)c1C	754700145	LOKNSBFBFSXAPG-NAGKPISUSA-N	405.498	4.752	50	20	HJGD	
O=C(NN=Cc1cnc([C@@H]2CCCO2)s1)c1ccc(-c2ccc(F)cc2)s1	755598930	LZUGRGLCZPIKOA-HNNXBMFYSA-N	401.488	4.626	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1ccc(-c2ccc[nH]2)cc1	757891941	LZNYOCLGQPLZLH-UHFFFAOYSA-N	417.494	4.580	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1nc(-c2cccc(Cl)c2)ns1	758043035	DFECWRWWASJAFA-UHFFFAOYSA-N	402.892	4.617	50	20	HJGD	
O=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc2nc(O)oc2c1	766571793	UWJOYNIHGZOYSV-UHFFFAOYSA-N	416.349	4.992	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc([N+](=O)[O-])ccc1Br	767408763	FSSIRFBAHBHYCX-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cccc4ccsc34)cc2)cc1	768692304	ZTQXCIWZXRMDFP-UHFFFAOYSA-N	422.531	4.799	50	20	HJGD	
CN(CCC1CCN(c2ccncc2)CC1)C(=O)CCCC[C@H]1CCSS1	770865341	CVBOBTKJQYWQJI-FQEVSTJZSA-N	407.649	4.861	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1C	775558616	MVCLIOSYCQDIAS-OJSPLJLUSA-N	402.498	4.853	50	20	HJGD	
Cc1cc(NC(=O)NNc2ccc3ccccc3n2)ccc1NC(=O)c1ccco1	775566322	XWQUNXSRHUYIME-UHFFFAOYSA-N	401.426	4.537	50	20	HJGD	
C=CCCC[C@@H](C)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	776016219	MRQQJFXFWULPJP-GMYFBSLISA-N	421.932	4.885	50	20	HJGD	
COC[C@H](C)n1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	778243235	DOPPDFWJGJGOTF-NNIWKIFQSA-N	409.534	4.560	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1ccccc1OCC(F)(F)F	779390208	PAAJDTVEIBPALM-UHFFFAOYSA-N	409.286	4.675	50	20	HJGD	
O=C(O)c1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1O	782913295	PCVSVWMSOYRTQS-UHFFFAOYSA-N	419.349	4.549	50	20	HJGD	
CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NNc1nccc2sccc12	783436072	SAKSIZNIYLMDMX-UHFFFAOYSA-N	420.947	4.532	50	20	HJGD	
COc1cc(NNC(=O)CCSc2ncnc3sc(C)c(C)c23)ccc1Cl	790175740	QFVXPWQYYFFPOT-UHFFFAOYSA-N	422.963	4.596	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1Cl	790175780	QPMGIKHANYJSFD-UHFFFAOYSA-N	407.857	4.556	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NNc1c(F)cccc1Cl	790566141	AKSXCHHOQPWTEX-UHFFFAOYSA-N	407.873	4.902	50	20	HJGD	
O=C(Cc1csc2ccc(Br)cc12)NNc1ccc(F)c(F)c1F	792260442	XTYFGWLFSWVQDM-UHFFFAOYSA-N	415.234	4.767	50	20	HJGD	
Cc1cccc(C(=O)NN=Cc2sc(Nc3ccccc3Cl)nc2Cl)n1	794571534	DHIINYKULDCERA-UHFFFAOYSA-N	406.298	4.661	50	20	HJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1cscc1Br	794869272	VISMDCZQXFBHHJ-UHFFFAOYSA-N	415.312	4.707	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c1	798124049	FBQISGHGFAVAIY-UHFFFAOYSA-N	416.506	4.743	50	20	HJGD	
Cc1cccc([C@H](C)C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1	804209954	NTQPXAIOPNQVBF-AWEZNQCLSA-N	400.404	4.718	50	20	HJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)NNc1c(C)cccc1C(C)C	813047054	NUMHKTRSMDLVGO-UHFFFAOYSA-N	402.498	4.571	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)C1CCN(C)CC1	814703860	PWPRGHGDGBWGSR-UHFFFAOYSA-N	413.949	4.675	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1cccc(Cl)n1)c(C)n2Cc1ccccc1	817007253	SMRSHNJOMKJVNB-UHFFFAOYSA-N	420.900	4.812	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccccc2OC(F)F)c1C	913150039	KXUCMHNNBCUYTJ-RPJLVFAOSA-N	418.440	4.564	50	20	HJGD	
CNC(=O)c1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1C	915180911	ODKOONBRBRSKBO-ZHZULCJRSA-N	418.541	4.824	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(NC(=O)CCC)c2)c1C	916079595	YDPNWJGAJVGZSQ-PXLXIMEGSA-N	420.557	4.867	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OC(F)F	917145412	RXHZFCYWTQHSEF-KPKJPENVSA-N	423.213	4.605	50	20	HJGD	
COc1ccc(CCC(=O)NN(c2ccccc2)c2ccccc2)c(OC)c1OC	917529610	SAVASJDOBBGYAI-UHFFFAOYSA-N	406.482	4.515	50	20	HJGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)CCSc1ccc(F)cc1)c1ccc(F)cc1	918218720	NBXAVTVQTLKSEF-IBGZPJMESA-N	421.513	4.565	50	20	HJGD	
CCCCNC(=O)NNC(=O)c1oc2ccccc2c1CSCc1ccccc1	920766613	LNSGLQRFKZTGTE-UHFFFAOYSA-N	411.527	4.610	50	20	HJGD	
COc1ccc(C(=O)Nc2ccc(C(=O)NNc3ccc(C)c(Cl)c3)s2)cc1	1116255383	WYMNAURQANHMDI-UHFFFAOYSA-N	415.902	4.728	50	20	HJGD	
CC(C)(CCl)C(=O)Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1	1786013516	MFYKXLOJRFUOGJ-UHFFFAOYSA-N	402.966	4.966	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(C)s2)n[nH]1	1822736391	YXWPOOMYKDWEFN-AMMZPXFLSA-N	420.966	4.503	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2)CC1	1824614291	LGYPQTIAVXTSGA-JSJGNVMISA-N	416.993	4.727	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cccc3ccccc23)c1C	96491585	AVRMZSSLTUMSTE-STZFKDTASA-N	415.493	4.757	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(F)ccc2OCCOC)c1C	727321876	UHYKGAGKWBYHBJ-CPNJWEJPSA-N	413.493	4.615	50	20	HJGD	
CC1(C)Cc2cc(/C=C(/C#N)c3nc(O)c4cc(Br)ccc4n3)ccc2O1	729151552	XSNCLRZNEWXHDY-ZSOIEALJSA-N	422.282	4.876	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCC(=O)Nc2ccccc2)c(C)n1C1CCCCC1	733227101	DSRNKFLSBMNQEH-PGMHBOJBSA-N	418.541	4.662	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(Br)cc2Cl)ccc1Br	734253936	MGISXIAQHBSAQG-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c1C	734257223	KPKWZCXPWDAKSN-NHCUHLMSSA-N	409.493	4.555	50	20	HJGD	
C[C@](O)(CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccsc1	741056571	HLMCYTFHMLIAMZ-ZFWWWQNUSA-N	424.897	4.997	50	20	HJGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1cccc(-c2ccncc2)c1	741458017	LCIVMQQDMDYVIY-UHFFFAOYSA-N	412.518	4.955	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CSc2cc(Cl)ccc2Cl)c1	743559258	JBXIPAAVBMLWLA-UHFFFAOYSA-N	418.346	4.551	50	20	HJGD	
Cc1cccc(-n2ncc(C(=O)NNc3c(C)cc(C)cc3C)c2C(F)(F)F)c1	743762039	JZQOJWJDLVMINN-UHFFFAOYSA-N	402.420	4.882	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)cc1	744723067	FLXDSMATNSVWPI-CTXBLAANSA-N	409.433	4.735	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc2cccnc12	747356748	WCMUFIHMJVFUDA-UHFFFAOYSA-N	420.812	4.820	50	20	HJGD	
O=C(NNc1ccccc1Br)c1ccc(Br)c(Cl)c1	748058828	BHCUWZVBHJOSSX-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNc3ccc(Br)cc3F)c2)cs1	748203723	UJXQUGIQMSGELD-UHFFFAOYSA-N	406.280	4.777	50	20	HJGD	
C/C(=C\C(=O)NNC(=S)Nc1ccc(C)c(C)c1)c1ccc(C(F)(F)F)cc1	748360208	MMYQHPFQPUMBGF-SDNWHVSQSA-N	407.461	4.743	50	20	HJGD	
CC(C)c1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)nn1-c1ccccc1	748701614	PWEGXIFOMWLYIF-UHFFFAOYSA-N	418.419	4.694	50	20	HJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	749465672	BPCYXAOLNMNTKZ-WXYNBALXSA-N	408.405	4.814	50	20	HJGD	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(F)(F)F	750896040	LZOCJPLUEABZML-BCZNVCAVSA-N	410.436	4.628	50	20	HJGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl	751294566	GJIQFLPGKODFBD-QMMMGPOBSA-N	406.096	4.865	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	752407538	QLPBDCABKWDGHD-MEVLLIQASA-N	418.493	4.820	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(Oc2cccnc2)c(C)c1)c1ccccc1	756212505	FJKMJSRLSBWOGQ-FQEVSTJZSA-N	404.470	4.529	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3cnc(C4CC4)s3)cc2)cc1	761794611	SANJEDRGOGSXNX-UHFFFAOYSA-N	421.522	4.762	50	20	HJGD	
O=C(CCNC(=O)OCC(F)(F)F)Nc1cccc(S(F)(F)(F)(F)F)c1	762518190	QTTYSNAEKVCFSP-UHFFFAOYSA-N	416.290	4.961	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)c3ccccc23)cc(C#N)n1C	765816848	NPHHBSIHNVDISN-XGHPXPSOSA-N	402.885	4.796	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1cccc2ccsc12	766260012	MRYVHIBRIBDRRC-UHFFFAOYSA-N	414.701	4.943	50	20	HJGD	
CCS[C@H](C)c1noc(COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)n1	767262178	HROZYMBXGOGFEN-TWIVVOHQSA-N	416.547	4.608	50	20	HJGD	
CCn1nc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c2ccccc21	769723854	DHUGXFCFRGCESF-XNTDXEJSSA-N	400.404	4.827	50	20	HJGD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1	772810314	OSYUEOIILHQCMK-UHFFFAOYSA-N	410.364	4.608	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(F)cc(Cl)cc2F)c1C	775498692	ANNFTQYOPUHEKJ-FCGPPKDQSA-N	407.848	4.790	50	20	HJGD	
N#C/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)C(=O)c1ccccc1OC(F)F	776193243	PXCRHQXFYUGJCG-XYOKQWHBSA-N	410.298	4.579	50	20	HJGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNc1ccccc1OC(F)(F)F	779201396	YZTGHYOKAUKILA-UHFFFAOYSA-N	407.417	4.698	50	20	HJGD	
Cn1nc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Oc1ccccc1	779750657	CXQLRJXIDPAMLG-SDNWHVSQSA-N	423.270	4.521	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(Cl)cn2)c1C	781709113	XTHJNSIAUJSIAQ-SHGRGFRKSA-N	401.894	4.572	50	20	HJGD	
O=C(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CC12CCCC2	783462705	IPAKXNNVXBULSD-LBPRGKRZSA-N	405.410	4.729	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1	787438177	YUPLRVRCLGKEIJ-LGMDPLHJSA-N	400.400	4.724	50	20	HJGD	
O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NNc1cccc(F)c1[N+](=O)[O-]	790588175	CRWCYYICOBIEDB-DAXSKMNVSA-N	403.719	4.563	50	20	HJGD	
Cc1cccc(C(=O)NNc2c(C)cccc2C(C)C)c1NC(=O)c1ccncc1	794928765	JMOPXVIZZVBESB-UHFFFAOYSA-N	402.498	4.831	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cccc(F)c1	804210817	YLAFJAPIYDPNTN-GFCCVEGCSA-N	404.367	4.548	50	20	HJGD	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	804465128	DVXONLCKOUOCHC-CIAFOILYSA-N	409.530	4.502	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2ccccc2)c1	805266429	XZEXWCBKNIRGKB-UHFFFAOYSA-N	400.265	4.742	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	805382983	YJAVGSKKGSBPHI-UHFFFAOYSA-N	422.828	4.978	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	805470848	VDGGUROEMPYJGH-HOTGVXAUSA-N	405.527	4.547	50	20	HJGD	
N#C[C@H]1CCCC(=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)C1	814704629	WXUHLQQYBSOROX-SFHVURJKSA-N	422.488	4.800	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	816602477	ZKFFBMGGUVTUPT-UHFFFAOYSA-N	413.355	4.564	50	20	HJGD	
COc1ccc(NNC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)c(C(F)(F)F)c1	816703883	XJGNRORZXBYBRE-UHFFFAOYSA-N	418.419	4.780	50	20	HJGD	
COC(=O)c1ccc(Br)c(NNC(=O)c2cc3cc(C)ccc3s2)c1	818764219	YPUORKRSWHWLJB-UHFFFAOYSA-N	419.300	4.516	50	20	HJGD	
CCCn1c(=O)c2ccccc2n2c(SCCO[Si](C)(C)C(C)(C)C)nnc12	821052032	JVFMDMOEUCFEEO-UHFFFAOYSA-N	418.639	4.568	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NNc3ccccc3)c2C)cc1	868094909	RDANXFSOHRPUCY-HMMYKYKNSA-N	400.482	4.543	50	20	HJGD	
N#C/C(=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1	915843561	WMSZOTMGKPJNCB-LDADJPATSA-N	417.396	4.750	50	20	HJGD	
C=CCOc1cccc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1	916284599	NPKVZKDGKCFNGA-UHFFFAOYSA-N	408.461	4.626	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1C	917778850	NARXUWNYPIVQSE-JCMHNJIXSA-N	418.541	4.687	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2c(C)nn(Cc3ccccc3)c2Cl)c1	918976944	PPNDAQPGIQBECB-YBFXNURJSA-N	421.884	4.552	50	20	HJGD	
Cc1nc(N2CCCCC2)sc1C=NNC(=O)c1cc(C)n(-c2ccccc2)c1C	1318440920	KZOATQUYQUJUQJ-UHFFFAOYSA-N	421.570	4.613	50	20	HJGD	
O=C(NNc1cncc(Br)c1)c1cccc2cccc(Br)c12	1340998693	XTIDGALUOWUJGX-UHFFFAOYSA-N	421.092	4.517	50	20	HJGD	
CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)[C@@H](C)CBr)cc2)CCC1	1786065848	PDLGZLRGFFKGER-GJZGRUSLSA-N	409.368	4.588	50	20	HJGD	
C[C@@H](CBr)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1	1786074309	KDWXHLZWNCPQBC-JKSUJKDBSA-N	419.363	4.508	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1)c1cc2ccoc2s1	1788416308	WKGZCAWWFWDYCJ-OAHLLOKOSA-N	406.866	4.776	50	20	HJGD	
Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)[C@H](F)Cl)cc4)CCC3)c2[nH]1	1788585008	OOEHTVXONSOWSO-IBGZPJMESA-N	413.880	4.758	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C)c2F)[nH]n1	1815314482	PPMCYRSYEVQXHQ-NVXWUHKLSA-N	420.916	4.571	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1	1815314614	NFTRYTNPWXSOIH-OCCSQVGLSA-N	422.879	4.542	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2c(Cl)cccc2Cl)c1C	212601599	QURKFORZGLBFST-YBEGLDIGSA-N	407.297	4.709	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCN(Cc2c(F)cccc2Cl)CC1	302712020	VFCBOLQPHQGTFA-HNNXBMFYSA-N	417.015	4.837	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cccc3ncccc23)cc(C)c1OCc1ccccn1	730146275	NQGHBPDPEWJNKR-UHFFFAOYSA-N	410.477	4.590	50	20	HJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	730289158	XNESEDOCIFRRFY-UHFFFAOYSA-N	424.382	4.620	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)[C@H](Sc1ccc(F)cc1)c1ccccc1	733811333	FEDVRRHZVWZKHR-OAQYLSRUSA-N	404.470	4.746	50	20	HJGD	
O=C(NNc1cc(F)c(F)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	734657689	KBCHFQRVLCOGHO-BQBZGAKWSA-N	423.279	4.640	50	20	HJGD	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cccc(Cl)c1	737066961	NKOIVABGOVVXCX-GOSISDBHSA-N	413.930	4.638	50	20	HJGD	
CC[C@H](c1ccncc1)N(CC)C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	739661898	UDKUBRJOXBNNMS-HZRVAISOSA-N	420.557	4.586	50	20	HJGD	
CC1(C)[C@H](NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)[C@H]2CCO[C@H]21	741391389	HDDUSQUCJPNVMY-JXJLXUTGSA-N	408.873	4.841	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1C	744858743	BSVBKGGGUSVURY-NVNXTCNLSA-N	421.419	4.579	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCN(C(C)C)C2)c(C)n1C1CCCCC1	745997888	YUWNBIVWXMGVLS-KUOTXRDYSA-N	410.606	4.754	50	20	HJGD	
N#CCC[C@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1	747988029	NUHMRSQDNFVBQC-QFIPXVFZSA-N	413.481	4.734	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1cn(-c2ccccc2)nc1-c1cccnc1	748586173	YPLPZZWTKGMSOI-UHFFFAOYSA-N	409.493	4.570	50	20	HJGD	
COc1cc(C#N)cc(OS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	752838889	UFTQZKGAQVMMMS-UHFFFAOYSA-N	415.361	4.992	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)c(C)n1-c1ccc(C(C)C)cc1	755183756	SPHHHTNILHXGPD-UHFFFAOYSA-N	417.435	4.783	50	20	HJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1	758915044	QLLKNQSGXWGGMN-PUMYGXPMSA-N	403.438	4.573	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F	767942107	VWGFCFFPXFHEMZ-INIZCTEOSA-N	423.330	4.559	50	20	HJGD	
CC(C)(C)c1csc(C2CCN(C(=O)[C@H](Br)C(C)(C)C)CC2)n1	768086748	OSNBKOKZCABPQI-AWEZNQCLSA-N	401.414	4.956	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1nc3ccccc3[nH]1)c(C)n2C1CCCC1	768507048	LIYRVYGROJFLKL-UHFFFAOYSA-N	403.486	4.707	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1ccc(-c2nc3ccccc3s2)s1	774778662	KQCHXYRUFKGGGR-UHFFFAOYSA-N	403.492	4.725	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(Oc2ccccc2Cl)nc1	775251985	JXYPFGBBDBHAKG-UHFFFAOYSA-N	408.767	4.698	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc2noc(-c3ccc(F)cc3)c2c1	775256730	LACKFYRBSLHOFS-UHFFFAOYSA-N	416.334	4.805	50	20	HJGD	
Cc1cc(C(=O)NNc2nc3ccccc3cc2C)c2cc(Br)ccc2n1	777479844	RNOXIUXWYVJUQQ-UHFFFAOYSA-N	421.298	4.919	50	20	HJGD	
Cc1ccc(C(=O)N2CC=C(C#N)CC2)cc1OCc1csc(Br)c1	780689300	XPIXZBADMONKSK-UHFFFAOYSA-N	417.328	4.694	50	20	HJGD	
COc1ccc(NNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nc1	782017819	AWSFNIOWGFUNPI-GOSISDBHSA-N	407.861	4.548	50	20	HJGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	782220237	ZWVUALDCIJLVEI-UHFFFAOYSA-N	423.451	4.990	50	20	HJGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)c(C)c1	783368328	NBOSBMHOWHNKCZ-UHFFFAOYSA-N	409.530	4.543	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NC2CCCC2)c(C)n1C1CCCCC1	786425399	GHDKPIQMGBBWPT-OFBHVFLISA-N	411.546	4.508	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1c[nH]c2ncc(Br)cc12	792291334	JGZNVCPHKYDONF-UHFFFAOYSA-N	418.053	4.528	50	20	HJGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1ccc(Oc2cccnc2)cc1	807619320	VPEHROTXOYYKSZ-GFCCVEGCSA-N	402.376	4.679	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ccccn3)cc2)c1C	813304299	RVNLPSHZZICVSQ-QWQBBLJPSA-N	414.509	4.920	50	20	HJGD	
COC(=O)C12CCC(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)(CC1)CC2	814360607	FHGQKKCQYQBJSZ-UHFFFAOYSA-N	405.709	4.604	50	20	HJGD	
Cc1ccccc1CN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)C1CC1	914487398	JGDQSKZXCZLGFD-ZDGAQAAHSA-N	417.553	4.691	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)o2)c([N+](=O)[O-])c1	915842328	MCMCIECTOMCWIV-RAXLEYEMSA-N	407.357	4.548	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(-c2ccc(Br)cc2)o1	916341162	ZQGWVYUWACQXKV-UHFFFAOYSA-N	422.282	4.883	50	20	HJGD	
CC(C)(CCl)C(=O)NC1(c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)CCC1	1788432980	RXBJXAXCEBHBED-UHFFFAOYSA-N	424.932	4.576	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3ccc(C)c(Cl)c3)C2)CC1	1805084658	RUHLIBYIRXLWTL-QGZVFWFLSA-N	411.373	4.511	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)cc(C)cc2C)n[nH]1	1823153393	FQAAYIXDRVVCKF-WMZOPIPTSA-N	416.953	4.658	50	20	HJGD	
CC(C)(C)c1cc(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)cc(C(C)(C)C)c1	1845418942	WGUGTCGBAWAAGW-SFHVURJKSA-N	422.972	4.633	50	20	HJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1nccs1	6430423	ISTDAVJBKTYAHS-JXMROGBWSA-N	400.803	4.510	50	20	HJGD	
Cc1cc(C)c(NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1	15152190	BRUGYCNPACHTBB-UHFFFAOYSA-N	402.734	4.895	50	20	HJGD	
Cc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c(Br)c1	110205316	PCABWYSVZXLGSQ-UHFFFAOYSA-N	402.741	4.730	50	20	HJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)C(=O)c3ccc4c(c3)OCO4)cs2)cc1	141587825	SPKDSARHIFYNFQ-PXNMLYILSA-N	404.447	4.549	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1C[C@H]1CCCO1	214220790	ALZUKMSRDKBASV-ZZODWALSSA-N	417.431	4.848	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2nc(-c3ccccc3)cs2)cc1	726876615	XQWSYFHDUULUIH-ATVHPVEESA-N	403.463	4.532	50	20	HJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1Cl	727263432	CEYPIQFCDAHTHE-MHWRWJLKSA-N	422.897	4.969	50	20	HJGD	
Cc1ccc2[nH]c3c(c2c1)CN(CCP(=O)(c1ccccc1)c1ccccc1)CC3	729480739	PVJLWYLQLRILOF-UHFFFAOYSA-N	414.489	4.849	50	20	HJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cccc(OCc2ccccc2C#N)c1	731314602	OKMSQMPAZCDDLZ-UHFFFAOYSA-N	419.868	4.563	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C(=O)O)c1)C(=O)Nc1ccccc1F	731563508	RKEUHGGLJUHSCG-LDADJPATSA-N	416.408	4.649	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc([S@](C)=O)c3)c2C)cc1	732123228	TVPBSJXZYRMENR-HHHNJPMXSA-N	417.534	4.686	50	20	HJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1	732926310	MAWXDVXFKYQMNN-KPKJPENVSA-N	408.788	4.504	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	740141617	KJOYPSJTEMNGNV-UHFFFAOYSA-N	418.331	4.558	50	20	HJGD	
C[C@H](CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1cccs1	743642795	BBDIWCWCXFMMES-INIZCTEOSA-N	408.527	4.630	50	20	HJGD	
O=C(NNc1ccccc1F)c1ccc(Oc2ccc(Br)cc2)nc1	748055885	WUCRTURYSAFPIJ-UHFFFAOYSA-N	402.223	4.532	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)s1	748694638	QSHDBBXDNFFFMS-SECBINFHSA-N	423.254	4.699	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1C(F)(F)F	748694906	WNRWAQSKWCBGJM-NSHDSACASA-N	406.326	4.893	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(Br)cc1Cl	748740851	OWGRIYOOSKOKJL-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccsc2)c2ccccc2)c1C	751180748	WJPZOBOOEDPFMV-HYARGMPZSA-N	419.550	4.953	50	20	HJGD	
CCSc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	752396797	CDVYIENHNIEDSY-UHFFFAOYSA-N	403.718	4.834	50	20	HJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1C(C)(C)C	758417808	VJPXEVWQHJDLPY-VKAVYKQESA-N	400.482	4.724	50	20	HJGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	758419359	VPNOVNZWUBMRKI-PWDRBQJJSA-N	420.490	4.823	50	20	HJGD	
O=C(NNc1ccc(F)cc1Br)c1ccccc1CCC(F)(F)F	759660544	XZGIDURNARKBRY-UHFFFAOYSA-N	405.189	4.840	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2OCC(F)F)c1C	762385031	FPRKEWBTTHMSAS-BFERYNQYSA-N	417.456	4.502	50	20	HJGD	
CC(C)(C(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1F	762470061	OKXVJSNUTACXDH-UHFFFAOYSA-N	404.200	4.601	50	20	HJGD	
Cc1ccc(Cc2nc(C(=O)NNc3ccc(OCC(F)(F)F)cc3)cs2)cc1	768478616	KTZJEYSZECNQBG-UHFFFAOYSA-N	421.444	4.740	50	20	HJGD	
Cc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1	770404200	FCAZXUQMSHZURV-HNNXBMFYSA-N	417.421	4.664	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)ccc1OC(=O)c1cccs1	772173147	ZLUANRPPQHGLQR-YBEGLDIGSA-N	407.422	4.905	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@H]1C[C@@H]1c1cccc(Br)c1	779201731	VHYFMKJCTAEIMS-OLZOCXBDSA-N	415.209	4.595	50	20	HJGD	
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NNc1cc(Cl)ccc1Cl	783368012	NPXWMKWAQDVDQV-UHFFFAOYSA-N	416.692	4.517	50	20	HJGD	
COc1ccsc1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	783462703	INWJRFCJLZQTTP-UHFFFAOYSA-N	423.406	4.533	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(\C#N)C(=O)c3c[nH]c4ccccc34)cnc12	783701513	XZUOCQZVJDTIQF-NTUHNPAUSA-N	405.255	4.676	50	20	HJGD	
CCN(C(=O)c1cc(NC(=O)NNc2c(C)cccc2F)ccc1Cl)C(C)C	786468357	VQTVCVDNQARUEE-UHFFFAOYSA-N	406.889	4.807	50	20	HJGD	
CCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	787323199	ASUOQHFHIFPSSA-JRXNCPAPSA-N	415.468	4.780	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cnn(CC(C)C)c2C2CC2)c1C	807725348	RIIOQRUULLQBGX-LYUVJKPTSA-N	423.561	4.588	50	20	HJGD	
OCC[C@@H](NCc1ccc(OCCCCl)cc1)c1ccccc1Br	811488649	GYXATWQMLOTGSL-LJQANCHMSA-N	412.755	4.670	50	20	HJGD	
ClCCCOc1ccc(CN2CCOC[C@H]2c2nc3ccccc3s2)cc1	811500736	LYCYHFMGFYUERJ-IBGZPJMESA-N	402.947	4.878	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2csc(COc3ccc(C)cc3)n2)c1	811557968	JJQCGYCKJLSZMA-VCHYOVAHSA-N	420.490	4.690	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1	812768181	IYMZBGJVVZXKBN-UHFFFAOYSA-N	409.511	4.656	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cccc(Cl)c1Br	813048248	POXGJOFWPNBTEX-UHFFFAOYSA-N	424.726	4.616	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H]2CCOc3cccc(C)c32)c1C	814032856	FMWJWZTXVYTRAY-BKBFXEPMSA-N	408.498	4.595	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1ccccc1CSc1nc2ccccc2[nH]1	817010734	OXSIQMQTJOLDCM-UHFFFAOYSA-N	409.902	4.661	50	20	HJGD	
CCOc1ccc(NNC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)cc1	817899491	LTFDQLFSJRKTNW-UHFFFAOYSA-N	413.861	4.649	50	20	HJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3cccc(NC(=O)NN(C)C)c3)c2c1	819557223	NUNDATDLNDTQKQ-UHFFFAOYSA-N	417.513	4.579	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1	849209213	IONCMDQCKUOLDO-LERPTODRSA-N	403.265	4.779	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2=NCCS2)c(C)n1-c1cc(Cl)ccc1Cl	906256384	MBTPRMQUWMCHIG-ZSOIEALJSA-N	419.337	4.527	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cccc(C#N)c2)c(C)n1-c1ccccc1F	914494677	ONXLQHOTJCICNS-XKZIYDEJSA-N	412.468	4.671	50	20	HJGD	
Cc1cc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c(C)s1	914733082	RUXRTPBNFLLAOW-XLPZSRODSA-N	411.571	4.747	50	20	HJGD	
CCc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNc2ccccc2)cc1	915918777	LXYAHCWVBUUWTD-UHFFFAOYSA-N	423.520	4.664	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(Br)s1	916349906	YKIADRSMHPRURW-UHFFFAOYSA-N	406.330	4.706	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)CCCCc2ccccc2)c1C	916484989	LDELQEMTTNJALK-HSJQUHBMSA-N	407.558	4.701	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(OC(C)C)cc2)c1C	918532303	NSPZHQASPDKXHS-YPKZHZFPSA-N	410.514	4.750	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)Cc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1	920024135	ZZERCOVRLDLQNN-OAHLLOKOSA-N	414.427	4.742	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CCC1	1790299589	KRUNJYQXIMSDSV-FQEVSTJZSA-N	414.933	4.850	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)CCC1	1790396570	QPDZVZPISNJPQM-HXUWFJFHSA-N	423.944	4.862	50	20	HJGD	
CC(C)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C2	1792885047	DNITVXFVZKRPRD-BTTYYORXSA-N	417.764	4.510	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1824612290	WSOVPCAOPDIHHQ-YADHBBJMSA-N	419.009	4.646	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1	1830307915	LODKXAVONGZHAD-NHQVPKDKSA-N	420.981	4.628	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1C	11313627	VDHYZRSZWYZBQH-XSFVSMFZSA-N	404.514	4.799	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3nccs3)cc2)c1C	302888590	AFPSNAMDXWUUGD-SDLDRHLBSA-N	420.538	4.982	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c(C)n1CCC(C)C	727718027	IKVDSXSJFFNSSN-OCBOALCKSA-N	423.561	4.832	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1ccccc1SCc1cccs1)c1ccccc1	731175162	OUDXVUHKCGKBBS-UHFFFAOYSA-N	410.564	4.779	50	20	HJGD	
Cc1cc(C(=O)NNc2nc(-c3ccccc3)no2)c(C)n1-c1cccc(Cl)c1	732112143	RHHOQWBBKCKNLH-UHFFFAOYSA-N	407.861	4.554	50	20	HJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1	741471361	ZLBMVORVGZVHPD-QQCYMQAYSA-N	401.098	4.829	50	20	HJGD	
COc1ccc(-c2ccc(/C=C(/C#N)c3nc4c(C)ccnc4[nH]3)o2)c([N+](=O)[O-])c1	741472780	JYJFZANACBPZRQ-LCYFTJDESA-N	401.382	4.507	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c1C	743653321	OGEXJQUHJDAJAN-FIWMFUAISA-N	415.541	4.672	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1C(F)(F)F	746894067	RQZPFWOSHIDFHP-UHFFFAOYSA-N	421.382	4.673	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	748334357	SNIJQFGPOOVQQS-UHFFFAOYSA-N	406.244	4.539	50	20	HJGD	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cc2ccccc2o1	749574652	JRXZJTOHQDUWEG-GOSISDBHSA-N	419.506	4.731	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNc1cc(Cl)ccc1Cl	752811865	AQQHRIAXGKZSLC-UHFFFAOYSA-N	407.276	4.621	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cc(N(C)C)cc2C)c1C	752856473	KZLCOFXIYRQIKP-IUOVYFEOSA-N	408.546	4.541	50	20	HJGD	
Cc1nc2cc(C(=O)NNc3ccc(-c4ccccc4)nn3)ccc2n1-c1ccccc1	754471216	WDJDUUHZSDTKAM-UHFFFAOYSA-N	420.476	4.548	50	20	HJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1OC	761584078	ACQDABQDNHWQTN-UHFFFAOYSA-N	418.799	4.793	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(O)c3cccc(C)c3n2)c1C	762926478	RGYCJGNTGCMKAK-XDHOZWIPSA-N	418.497	4.513	50	20	HJGD	
N#C/C(=C/c1sccc1Br)C(=O)Nc1ccccc1Br	764883859	CDKZUFLMJMJFCO-CLFYSBASSA-N	412.106	4.819	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)NC1CCC2(CC1)CC2	765869870	CILMAFGATJRFEB-MRXNPFEDSA-N	420.884	4.683	50	20	HJGD	
N#CC1=CCN(C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)CC1	767157568	NKAQNDHZLIZPMP-UHFFFAOYSA-N	411.292	4.692	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2ccc(Cl)cc2Br)c2ccccc2n1	769796971	BWGYZIGGAACOJA-UHFFFAOYSA-N	402.679	4.723	50	20	HJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNc1cccc([N+](=O)[O-])c1C	770083891	ZDWSNICNOMKWRW-UHFFFAOYSA-N	410.499	4.751	50	20	HJGD	
CCCC(=O)Nc1cccc(NC(=O)NNc2ccc(Br)c(F)c2)c1C	771126727	FPLJWFGYGXEXLK-UHFFFAOYSA-N	423.286	4.784	50	20	HJGD	
N#C/C(=C\c1c(-c2ccccc2)nc2ccccn12)C(=O)c1cccc2c1OCCO2	771512862	GLCMRHUVDCLWCE-OBGWFSINSA-N	407.429	4.562	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(C3CC3)no2)c(C)n1-c1ccccc1F	781868093	UVDQUDUSHIISEN-LZNAANCOSA-N	420.444	4.705	50	20	HJGD	
O=C(Nc1cc(Cl)cc2cccnc12)C(=O)NN(c1ccccc1)c1ccccc1	782820607	FAFMYVFLBUFSIG-UHFFFAOYSA-N	416.868	4.696	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2ccccc2n1CC(F)(F)F	787461788	PBOQWBSNDHUSRN-UHFFFAOYSA-N	401.310	4.979	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(Br)cn1	793401478	GQJDVUVBBDOOCZ-QMMMGPOBSA-N	404.095	4.538	50	20	HJGD	
Cc1noc(C)c1C(C)(C)C(=O)NNc1c(Cl)cc(Br)cc1Cl	797458592	RFKSCLWYNWVKFV-UHFFFAOYSA-N	421.122	4.782	50	20	HJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1csc(-c2ccc(Cl)cc2)n1	798142387	KDXMLIUGJCPPHE-UHFFFAOYSA-N	408.314	4.787	50	20	HJGD	
O=C(NN=C1CCC[C@@H](c2cccnc2)C1)c1ccc(Br)cc1Cl	799879162	RXPLMGVZLAZRMK-GFCCVEGCSA-N	406.711	4.941	50	20	HJGD	
C[C@@H](C(=O)NNc1c(Br)cccc1Br)c1cccs1	801505683	YFZNJYPCFRRLNT-MRVPVSSYSA-N	404.127	4.520	50	20	HJGD	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)CCCCCC#N)cc2)cc1	806380593	ZOBINFASONLABL-UHFFFAOYSA-N	413.543	4.560	50	20	HJGD	
CN(C)C1CCN(c2ccc(NCc3ccc(OCCCCl)cc3)cc2F)CC1	811470759	OCOUVQWUMDSUJO-UHFFFAOYSA-N	419.972	4.976	50	20	HJGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)Cc1nc(-c2ccccc2)cs1	814218265	VFPBENSVQRORDC-UFXMINEGSA-N	405.523	4.705	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12)c1ccncc1	865924520	QWWVRLUMJQEXMV-UHFFFAOYSA-N	418.456	4.525	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c2cccnc12	881466266	QEIVGHQGVUHCFO-DMMSUNFISA-N	414.509	4.686	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cncc(Br)c2)c(C)n1CC(C)C	915167836	JCXMTNOATZRYNR-CNHKJKLMSA-N	416.319	4.569	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c2ccccc2n1	916646846	RIFSWDRSRYAMMR-JOCHJYFZSA-N	420.488	4.558	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ccccc3)cn2)c1C	918673576	LNZSOCOHWSJBOC-VLZFXTDASA-N	414.509	4.920	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3cccnc3)cs2)c1C	929265674	YWCANOHKXZYYIR-ODLFYWEKSA-N	405.527	4.969	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c(C)c1	1116157148	MZIUFSXXAUOOIH-UHFFFAOYSA-N	411.509	4.980	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(C)n3)cc2)CCC1	1785825095	DEHGOOISPLHWPM-SJFMBGHLSA-N	411.933	4.555	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)Cc3cc(F)cc(F)c3)cc2)CCC1	1788250395	SKEZEVNFFLOYIN-IBGZPJMESA-N	420.887	4.659	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cnc(C)s3)CCC2)cc1	1790488529	UVTDKDJWHPYOMB-QZEKMECESA-N	417.962	4.616	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1	6965384	CFQXXOZJIZRNTA-UHFFFAOYSA-N	416.506	4.743	50	20	HJGD	
O=C(NC1CCC(C(=O)NN(Cc2ccccc2)c2ccccc2)CC1)C1CCCC1	72068365	CBRFHLRUXWSNHR-UHFFFAOYSA-N	419.569	4.590	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC(F)(F)F)c2C)cc1	727741737	JPKZDSQJVJAVBH-WJDWOHSUSA-N	404.388	4.881	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c2c(c1)C[C@@H](C)O2	728437959	LWPIAYKFHODYIF-DKTFCQPKSA-N	403.265	4.871	50	20	HJGD	
CN(C)C(=O)c1cccc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	728462393	TUCFYKFWUFLCGL-QGZVFWFLSA-N	416.852	4.860	50	20	HJGD	
Cc1ccc(C(=O)N[C@@H](CC(=O)NNc2cccc(Cl)c2)c2ccccc2)cc1	729838452	PEQRRGNSCWMDIS-NRFANRHFSA-N	407.901	4.653	50	20	HJGD	
N#C/C(=C\c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)c1ccc(Br)s1	730436801	MHKAMENIMXBEFR-DKGMDFAASA-N	418.312	4.858	50	20	HJGD	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1)O[C@@H](C)C2	730588406	XZWVRZXMBCLUHV-IWEFOYFVSA-N	420.431	4.674	50	20	HJGD	
COc1ccc(/C=C/C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1	731478055	YOZKCNTUJFMRMH-RUDMXATFSA-N	415.209	4.633	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(-c3ccccc3Cl)on2)ccc1Br	734253925	LGGPMMGAKIKNCY-UHFFFAOYSA-N	406.667	4.823	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cnc(-c3ccc(C)cc3)s2)cc1OC	734305500	AQKLZKRDGURKBB-YBEGLDIGSA-N	405.479	4.681	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c3nccs3)c2C)cc1	734804345	OOVIBUKNNZFDCS-AQTBWJFISA-N	420.538	4.518	50	20	HJGD	
CCN(Cc1ccccc1)c1ccc(C(=O)NNc2ncccc2C(F)(F)F)cc1	740096556	UDDRJKGZIVRWEK-UHFFFAOYSA-N	414.431	4.884	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3cccc(C(F)(F)F)n3)o2)c(C)c1	740141610	JXAMAYPEEJLVNT-UHFFFAOYSA-N	405.376	4.646	50	20	HJGD	
O=C(NN=Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)NC1CCCC1	743531708	ACSZAUIQNFDYMQ-UHFFFAOYSA-N	419.312	4.821	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c(C)c1	743761470	IBJBUBWJYVXELE-UHFFFAOYSA-N	406.383	4.712	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNc2ccc(Cl)nc2)c1	743816417	QYDVYQQUPQZJHL-UHFFFAOYSA-N	421.863	4.792	50	20	HJGD	
CCC[C@H](CC)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	743837736	MSKPCLNWCHEEQJ-QUHSPFQSSA-N	409.921	4.719	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(-c3ccccc3C)no2)cc1	746058968	INDYLGPDKYMYDE-HZGBGQKMSA-N	403.438	4.655	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)o1	746525625	UYYBXZUFCMMUON-UHFFFAOYSA-N	410.861	4.659	50	20	HJGD	
CCC[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1	746973491	VHAASVGDZBECLP-QGZVFWFLSA-N	412.292	4.547	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1ccc(C(F)(F)F)cc1	747597634	CCQMUTOBBCGCJB-UHFFFAOYSA-N	402.420	4.946	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cccc(C#N)c2)c(C)c1	748049629	ACXKDGBOZIGQME-UHFFFAOYSA-N	407.477	4.785	50	20	HJGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNc1ccc(F)cc1Br	748073584	MAVMBLZRHBFHOO-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc3c(c2)CC(=O)N3)c1C	748506632	GHOKQYDNOQPSAS-CTPANLQCSA-N	405.498	4.611	50	20	HJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	748577690	NDVVQLUJYVATCK-XMMPIXPASA-N	412.489	4.777	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)o1	752884451	AEKQFGWLEBUEET-UHFFFAOYSA-N	418.280	4.628	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(Br)cc2C)cc1-c1ccccn1	755180769	ADDBKUDEBDLENB-UHFFFAOYSA-N	412.287	4.585	50	20	HJGD	
CCn1nc(C)c(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1C	755498227	ZLOHVEBCAQPKQH-UHFFFAOYSA-N	415.472	4.638	50	20	HJGD	
CCC(C)(C)OCc1cccc(NC(=O)NNC(=O)c2ccc3ccccc3n2)c1C	756871439	LDYDXZDKVADTPY-UHFFFAOYSA-N	420.513	4.715	50	20	HJGD	
CC(C)(C)Oc1c(F)cc(NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1F	757997828	KHGAFIKHHYSMAP-UHFFFAOYSA-N	421.488	4.511	50	20	HJGD	
Cc1cc(NNC(=O)c2ccc(Cl)cc2Br)ccc1Br	761567803	CWDCRFLLMWXLMV-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
O=C(NNc1ccc(F)cc1F)c1cc(Oc2cccc(Br)c2)ccn1	762539990	ZNCJKJPGVXZYHC-UHFFFAOYSA-N	420.213	4.672	50	20	HJGD	
N#C/C=C/CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1	763302198	TWPTTXXPBMJZLY-SNAWJCMRSA-N	401.289	4.521	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1ccn(C2CCCC2)n1	763375177	IULYPLAQANQVME-UHFFFAOYSA-N	417.229	4.536	50	20	HJGD	
CCCn1c(C)nnc1COC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	763620438	COPRRRJIDQCTAB-DEDYPNTBSA-N	409.534	4.570	50	20	HJGD	
O=C(NNc1ccccc1Cl)Nc1cccc(C(=O)N2CCc3ccccc32)c1	769994173	PNNPPXLVIRBNEF-UHFFFAOYSA-N	406.873	4.692	50	20	HJGD	
Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)NNc2cc(Cl)nc(N)n2)c1	773866602	BOUDMFMPSLJLLC-UHFFFAOYSA-N	420.325	4.582	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(/C#N)c3ccc([N+](=O)[O-])c(OC)c3)cs2)cc1	774561623	PTEYWHWFZFHZPA-DHDCSXOGSA-N	423.450	4.712	50	20	HJGD	
Cc1ccc(-n2cc(C(=O)NNc3ccc(C(F)(F)F)cn3)c(C(C)(C)C)n2)cc1	775265504	RTWINOMJHPJSOK-UHFFFAOYSA-N	417.435	4.649	50	20	HJGD	
CC[C@H]1C(=O)N(CC)CCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	779451316	CWBBDSMULXIHKZ-ZDUSSCGKSA-N	401.401	4.819	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)[C@@H]1CCCOC1	779757861	LRKODMVEPVGUHH-HSZRJFAPSA-N	402.494	4.951	50	20	HJGD	
C[C@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)NN=c3cc[nH]cc3)c2C1	781019390	ICOVJEMIPKGTGP-UYTDBDHRSA-N	410.477	4.525	50	20	HJGD	
N#Cc1ccc(-n2ccc(NC(=O)NNc3ccccc3C(F)(F)F)n2)c(Cl)c1	782664600	IDJYPTHJMANBTI-UHFFFAOYSA-N	420.782	4.565	50	20	HJGD	
Cn1cc(-c2ncccc2NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cn1	786206582	CBFILCLHSOKIIO-UHFFFAOYSA-N	411.680	4.591	50	20	HJGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	794686234	LZIUNYCCMBPUAT-NVNXTCNLSA-N	403.419	4.513	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1C(F)(F)F	794870028	QMVQPCYRPBPAHQ-PTNGSMBKSA-N	403.404	4.716	50	20	HJGD	
C=C(C)CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1cnn(C(C)C)c1	796453556	JWZUDSZRDHSYRN-UHFFFAOYSA-N	421.525	4.856	50	20	HJGD	
O=C(CCCC1CCOCC1)NNc1ccc(Br)cc1C(F)(F)F	798960918	RGGLCOIBIIIZPE-UHFFFAOYSA-N	409.246	4.508	50	20	HJGD	
O=C(NCc1cnn2ccccc12)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	806184560	HVEWLEIGTWOAGY-OAHLLOKOSA-N	414.840	4.875	50	20	HJGD	
COc1cc(F)ccc1NNC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	816337945	OHPPPAFZJYQMOR-UHFFFAOYSA-N	411.380	4.734	50	20	HJGD	
Cc1ccc(OCC(=O)NN=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)cc1C	914554307	HMRQYRGMBNHDFJ-UHFFFAOYSA-N	424.932	4.795	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)nn1	1318639522	NZOJWBJTNDEFKB-UHFFFAOYSA-N	410.905	4.763	50	20	HJGD	
CC(C)(C)OC(=O)Nc1cc(NC(=O)NNc2ccc(F)c(F)c2F)ccc1F	1319838574	RZWVMNNTBGMHAR-UHFFFAOYSA-N	414.359	4.739	50	20	HJGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2ccc(C(F)(F)F)cn2)c1	1320526825	FXNRWXLXNQLVAR-UHFFFAOYSA-N	408.811	4.918	50	20	HJGD	
COc1cc(Br)c(OC)c(C(=O)NNc2ccc(Cl)cc2Cl)c1	1340925040	KYVSWGPZMRBZPB-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1786287473	BRCNWGCSJGBAKM-RDTXWAMCSA-N	420.937	4.836	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)CCC1)C(Cl)Cl	1791531586	HJSAJDFYTYSMAU-MSOLQXFVSA-N	417.336	4.728	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(F)c2)n[nH]1	1821059953	RUJKEFSFVTYLDS-SJLPKXTDSA-N	420.916	4.571	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(Cl)cc1C	1847867920	YKCJONUIZOISOS-JQFCIGGWSA-N	417.764	4.525	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)ccc1OC(F)F	34888945	HALSSWCDPJEXQJ-SDQBBNPISA-N	403.410	4.688	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(COC(C)C)c2)c1C	139079647	FDMZMKUCDKLHTL-WQFTWXBESA-N	409.530	4.783	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)c(C)cc2C)c1C	215318022	VEPZQANAEKYHNY-SNINMWPCSA-N	422.525	4.571	50	20	HJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c(F)c2)cc1	727263944	KNARVRXPIBZSBQ-PNWWAVQQSA-N	407.489	4.721	50	20	HJGD	
O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl	727783661	ANRDQVYSCDMQRI-UHFFFAOYSA-N	408.232	4.644	50	20	HJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)Nc1ccc(Cl)cc1Cl	728176134	ODXNGIZWJXYTSX-NTUHNPAUSA-N	401.228	4.864	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(OC(C)C)CC2)c(C)n1-c1ccc(F)cc1	730509558	IYQDYBUQUIHENA-XSFVSMFZSA-N	409.505	4.556	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1	732133179	RSKCBBVALDVBJK-OAHLLOKOSA-N	405.479	4.511	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)c1C	733248787	MFVZTEPONUDCFB-WIJMBFKYSA-N	419.569	4.761	50	20	HJGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c(C)c1	743764958	UQNJJGAGVDRZKK-SFHVURJKSA-N	420.340	4.667	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)c3c(C)noc3C)c2C)cc1	747877084	NUHDUSFDIVJCNW-DEDYPNTBSA-N	418.497	4.668	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1	748501153	DWOQEDXYOSCIQQ-UHFFFAOYSA-N	411.380	4.689	50	20	HJGD	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCC(F)(F)F	750895460	HNXMPNWYAJUCCD-XNTDXEJSSA-N	401.388	4.977	50	20	HJGD	
Nc1nc(Cl)cc(NNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n1	752982650	WRFPUZBTIVQQOA-UHFFFAOYSA-N	404.752	4.518	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(-c2csc(C)n2)c[nH]1	753177783	OZEATQGNBOFDHK-UHFFFAOYSA-N	405.321	4.528	50	20	HJGD	
O=C(NNc1cccc(Br)c1)c1ccc(Cl)c(Br)c1	753659309	MDRALSWXYDZHLB-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cc(Cl)c(OC)cc1Cl	753887877	QELWKYHDLWRSSG-AWNIVKPZSA-N	421.280	4.914	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(C)=O)ccc2Cl)c1C	762343701	SSWFDHJCZIXEEO-NGMPYOPUSA-N	413.905	4.714	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1	772968993	JGTRKCJBGFXJPE-CABCVRRESA-N	406.376	4.955	50	20	HJGD	
CC(C)c1c(C(=O)NNc2ccc(C(F)(F)F)cn2)cnn1-c1ccc(Cl)cc1	775261633	MNNNDWPUNCAREO-UHFFFAOYSA-N	423.826	4.820	50	20	HJGD	
O=C(NNc1ccc(Br)cc1F)c1coc(-c2ccccc2Cl)n1	776490453	GNVSFSKDLNDUPQ-UHFFFAOYSA-N	410.630	4.654	50	20	HJGD	
CN(C)[C@@H](CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccco1	777854761	SXPMWAKOELMLIG-ZDUSSCGKSA-N	420.425	4.518	50	20	HJGD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNc2nccc3sccc23)c(C)c1	783438871	UZDKCXTVUKKJKY-ZDUSSCGKSA-N	414.556	4.577	50	20	HJGD	
Cc1cccc([C@@H]2CCN(C(=O)/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)C2)c1	784520524	UKIZPUPDBRJSEU-PDPKBYAUSA-N	417.553	4.515	50	20	HJGD	
CC(C)(C)OC(=O)NCc1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1	787126759	OKQTXFKFWUBAIN-UHFFFAOYSA-N	410.301	4.775	50	20	HJGD	
CC(C)N(C)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)cn1	790225439	OOARVWZDSHOKJQ-RIYZIHGNSA-N	401.264	4.661	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1c(Cl)cc(C#N)cc1Cl	792490657	MQQVVSJLESPLHQ-UHFFFAOYSA-N	407.326	4.620	50	20	HJGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNc1ccc(Br)c(F)c1	793838513	KSRWZRANRMVLHA-UHFFFAOYSA-N	404.239	4.617	50	20	HJGD	
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	799785692	NWDFTRIROJMQGZ-IRXDYDNUSA-N	416.653	4.854	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(OC)c1OCC(F)F	809147596	QMMQNKHZCCSFOP-PXNMLYILSA-N	416.424	4.510	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(C)cc1	810201486	ZLVVZGFXPDGOGO-CXUHLZMHSA-N	406.873	4.901	50	20	HJGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)c1	819556704	DZWYXWWVCIQAGV-UHFFFAOYSA-N	424.888	4.983	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CCC#N)c(C)n1-c1cccc(Cl)c1Cl	843418686	WTOCNIQDUSMXQS-LFIBNONCSA-N	401.297	4.680	50	20	HJGD	
O=C(NN=Cc1sc(Oc2ccccc2)nc1Cl)c1ccc2ccccc2n1	915932652	YADUYCAXCXEOBU-UHFFFAOYSA-N	408.870	4.901	50	20	HJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cs1	916131548	JESBETZGBQQYKP-ATVHPVEESA-N	413.462	4.942	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCc2csc3ccccc23)c1C	916456650	KSHPQAZMLFCJJP-WCEBZYJUSA-N	421.566	4.793	50	20	HJGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1cc(F)c(Cl)cc1Cl	1116094698	WCXLIJIBQZUNFU-SECBINFHSA-N	400.285	4.607	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccn(-c2ccccc2C(F)(F)F)n1	1323811932	PZMYAWMRXHSVOS-UHFFFAOYSA-N	414.309	4.667	50	20	HJGD	
O=C(NNc1cncc(Br)c1)[C@H](Sc1ccccc1)c1ccccc1	1324517057	WQWXYOWTWWVFIU-GOSISDBHSA-N	414.328	4.821	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)[C@H](CC)N(CC)CC)CCC2)cc1	1786442283	FIXUTQPIHIXLGY-PMACEKPBSA-N	422.013	4.648	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cnc(C)c(C)c3)cc2)CCC1	1787007219	GZUIAVIKHISNEF-HXUWFJFHSA-N	413.949	4.854	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3OC)CCC2)cc1	1790488459	QVUGJFNINLQRRM-SFHVURJKSA-N	418.896	4.599	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)cc2C)n[nH]1	1823315042	NUKCMJFLEIDFLU-SJLPKXTDSA-N	420.916	4.571	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1	1824010801	FAYQTTRZGVAQQM-GHOSXJJBSA-N	423.022	4.646	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3F)c2)c1	63275822	SDOPBGHCFQWVRE-XDHOZWIPSA-N	402.425	4.959	50	20	HJGD	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1nc(N)nc(Nc2ccccc2)n1	209556998	HMZSGSGUCQQHCX-ZHZULCJRSA-N	420.476	4.841	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1	219922791	BCIFRJVIQLAWJA-SQFNAUOLSA-N	406.482	4.686	50	20	HJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(Br)c(OC)c(Br)c1	726429916	WMENXLANJJXVDJ-WUFUFFIZSA-N	401.098	4.742	50	20	HJGD	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C(F)F)cc1	726620639	WIOJQVGFAHGUPU-UHFFFAOYSA-N	423.794	4.928	50	20	HJGD	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)c1cc(Cl)cc(Cl)c1	727266791	FWXFPXPQIJNFGE-CHHVJCJISA-N	405.256	4.759	50	20	HJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NNc1ccc(Cl)nn1	730139412	MJNRLJQIFBDXIJ-JTQLQIEISA-N	423.329	4.603	50	20	HJGD	
O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NNc1ncccc1Cl	734246212	CVZHCCFDYOPPJE-UHFFFAOYSA-N	412.824	4.563	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc3ccsc3s2)c(C)n1C[C@@H]1CCCO1	735460872	GATUXAJKIXGAQI-LRQZKABGSA-N	412.540	4.501	50	20	HJGD	
N#C/C(=C\c1cnc2ccc(Br)cn12)c1nc2ccccc2n1C(F)F	740765088	PDPULBQYKBPEIF-YRNVUSSQSA-N	414.213	4.906	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	741185272	KPIXZVAGCBHXSN-UHFFFAOYSA-N	421.409	4.775	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@H]2c2ccc(C)cc2)c1C	741594832	PMMUYCNPYKPRDM-ZBDCHNAPSA-N	405.542	4.721	50	20	HJGD	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cc1	741727310	JSAZURBSDBPFIV-NEIHUHTASA-N	424.504	4.665	50	20	HJGD	
Cc1cc(I)cnc1NC(=O)CCCC[C@H]1CCSS1	743802216	MUDAGXHXUXKPGH-LBPRGKRZSA-N	422.357	4.647	50	20	HJGD	
O=C(NC[C@@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1)c1ccccc1	746638035	LLCOCRTULJVXSS-OALUTQOASA-N	406.617	4.512	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cc(F)c(F)c(F)c2)o1	746702916	BYUBJOWOQNZVOB-UHFFFAOYSA-N	412.371	4.615	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3cnn(C(C)C)c3c2)c1C	747126543	KPBOWSNTLCBWPE-LYUVJKPTSA-N	419.529	4.789	50	20	HJGD	
COc1ccc2c(c1)c(C(=O)NNc1cc(Cl)nc(C)n1)c(C)n2C1CCCC1	748335682	QWDGHEPCHOKHNF-UHFFFAOYSA-N	413.909	4.582	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1sc(-c2ncccn2)nc1C	748669211	DONFISQDRXBAIP-UHFFFAOYSA-N	409.540	4.859	50	20	HJGD	
COc1ccc(C(=O)NNc2ccc(Br)cc2C)cc1OC1CCCC1	752633801	ADWPJNJGDOOVSN-UHFFFAOYSA-N	419.319	4.844	50	20	HJGD	
CC(C)CN1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1=O	752991626	ZVXMYGQWIVXNQP-UHFFFAOYSA-N	401.401	4.676	50	20	HJGD	
C/C(=C/C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1OC(F)F	753341790	LISGFEMZXQAAKO-FLIBITNWSA-N	411.330	4.725	50	20	HJGD	
Cc1nc(C(=O)NNc2cc(C(F)(F)F)ccc2F)nn1-c1ccccc1C(C)C	754149285	VCYBVDNNYFCLSF-UHFFFAOYSA-N	421.398	4.614	50	20	HJGD	
Cc1csc(-c2ccc(NC(=O)NNC(=O)Cc3ccc4ccccc4c3)cc2)n1	756300572	ZMOWJGRYOXCOIQ-UHFFFAOYSA-N	416.506	4.667	50	20	HJGD	
CCCOc1cc(F)ccc1NC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	760194444	OWQKMZJJRGLUPM-YLRSXTQRSA-N	413.493	4.786	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1cccc(S(F)(F)(F)(F)F)c1	762979607	WPPHCWYUYHQERU-UHFFFAOYSA-N	416.759	4.859	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)c1C	763609905	DCRVFNGWKFMMAA-MHWRWJLKSA-N	407.440	4.511	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H](c1cccc(F)c1)c1ccccn1	766290656	XPVHMTQMZWJDAI-SFHVURJKSA-N	422.357	4.794	50	20	HJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccn(-c2ccc(F)cc2F)n1	766332603	QTMDHBRLTFRUOL-UHFFFAOYSA-N	417.630	4.868	50	20	HJGD	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ccc(F)c(F)c2F)c1	770086817	JRZHOMPZULJXNV-UHFFFAOYSA-N	400.788	4.645	50	20	HJGD	
O=C(NCC1CCN(C2CC2)CC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	770127254	DAISIHKXAHFGIQ-INIZCTEOSA-N	421.916	4.902	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1	770810936	IAHAULQVGHYRAT-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2nccnc2C(C)C)c(C)n1C1CCCCC1	772875342	LRCFOEZFAUXILR-CPNJWEJPSA-N	406.534	4.574	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2sc(CCOC)nc2C)c1C	773915773	VJBZIUHNLVZVRZ-MIQLPHMESA-N	415.559	4.680	50	20	HJGD	
COCCOc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1Cl	775544674	FUAUNKIBTDGFCW-UHFFFAOYSA-N	403.788	4.533	50	20	HJGD	
CCOc1ncccc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777610633	UDXSOIUMCLBEJJ-UHFFFAOYSA-N	404.382	4.939	50	20	HJGD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1ccccc1Br	778390339	AHGQAYWJMOETKC-UHFFFAOYSA-N	424.270	4.916	50	20	HJGD	
N#Cc1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1Cl	778779265	XFDZDJTVYXLGGS-UHFFFAOYSA-N	418.600	4.750	50	20	HJGD	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)NNc3cc(F)c(F)c(F)c3)cccc21	779018459	PFVXKKWCNXEUQI-UHFFFAOYSA-N	421.419	4.549	50	20	HJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(Br)cc1C	780660427	ZHWISGUJPUFLJN-UHFFFAOYSA-N	424.320	4.925	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c2cccnc2c1C	782820693	FFAWMNLSGOIBSX-UHFFFAOYSA-N	410.477	4.660	50	20	HJGD	
CCCC(O)(CCC)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982302	VZRVULSGTJCUFF-UHFFFAOYSA-N	411.458	4.954	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1	787113476	VPHKHEHZGPOPNH-MJLBXUHQSA-N	411.299	4.719	50	20	HJGD	
CCN(CC)Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)cc1	787507537	PAJIUZFVYJHPAL-JVMBGAFUSA-N	422.573	4.700	50	20	HJGD	
COc1cccc(CN(C)C(=O)NCCSSC)c1OCc1ccccc1F	790875684	HSPXGBMPVDXHHJ-UHFFFAOYSA-N	424.563	4.566	50	20	HJGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797407912	ZIUDADWBNNPIRS-PTNGSMBKSA-N	406.511	4.867	50	20	HJGD	
O=C(NNc1nccnc1C1CCC1)[C@H](Sc1ccc(F)cc1)c1ccccc1	805467371	VHTFXWMUJLYULH-HXUWFJFHSA-N	408.502	4.860	50	20	HJGD	
N#C/C(=C/c1cc(Br)cc(Br)c1)c1nnc2n1CCCCC2	809147373	MRTRHKISEQTZKQ-SDQBBNPISA-N	422.124	4.594	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccc(F)cc1OC(C)(C)C	813049082	WYGOENBRFOYOEX-UHFFFAOYSA-N	401.482	4.517	50	20	HJGD	
C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)CCCC[C@H]2CCSS2)C1=O	815178007	FBEBHIWTDKEVJA-JLSDUUJJSA-N	411.564	4.745	50	20	HJGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1ccc(C(F)(F)F)nc1Cl	817870495	RDQZTXNBDNBGCH-XCBNKYQSSA-N	401.654	4.741	50	20	HJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)n2)c(C)c1	906012857	WJDJNEGYDZGXJF-LSCVHKIXSA-N	415.522	4.800	50	20	HJGD	
O=C(Nc1cccc(C=NNC(=O)c2c[nH]c3ccccc23)c1)c1ccc(Cl)cc1	916287436	DERYDESGPRGMHQ-UHFFFAOYSA-N	416.868	4.838	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3cnc(C)s3)c2C)cc1	916507067	YXBNLNILCDEGCO-JAIQZWGSSA-N	404.539	4.733	50	20	HJGD	
CCCOc1cc(C)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	917746073	HKMIJKCVYYKSSS-ZPWPBLDLSA-N	421.541	4.927	50	20	HJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2c(C)nn(Cc3ccccc3)c2Cl)n1	920387045	HYWDLZYCYWOFTL-OQLLNIDSSA-N	412.902	4.591	50	20	HJGD	
O=C(CCOc1cc(Cl)ccc1Cl)NNC(=O)c1ccc(Cl)cc1Cl	1115852791	NRAQYFUOAKYOLX-UHFFFAOYSA-N	422.095	4.530	50	20	HJGD	
Cc1cc(/C=C(/C#N)c2nnc(CCCc3ccccc3)o2)c(C)n1C[C@@H]1CCCO1	1328432925	JRYGENJUCCTGGG-AMCKHAKVSA-N	416.525	4.906	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(C4CC4)on3)CCC2)cc1	1786442541	OVGHGPUIMDUTRO-KRWDZBQOSA-N	415.921	4.707	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3[nH]cc4c3CCC4)cc2)CCC1	1790003085	LIPBZWIOUVNXRX-IBGZPJMESA-N	413.949	4.659	50	20	HJGD	
CCOc1ccccc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](Cl)CC)CCC2)cc1	1790240740	HXMJGFLSYLHSSN-IBGZPJMESA-N	414.933	4.850	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(F)c2)c1C	7177219	ZFIUEZWFBQZKEE-DAQNXSASSA-N	411.477	4.522	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c(C)c1	16182118	RFMWLTGCTUSMNN-UHFFFAOYSA-N	409.486	4.866	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c2c(c1)C[C@@H](C)O2	728439592	BIVKFNDYLUAKPM-JYINPYMRSA-N	418.415	4.789	50	20	HJGD	
CCCc1c(C(=O)NNc2cccc(C(F)(F)F)c2)cnn1Cc1ccccc1	728716215	HDEPGJZHUGTJPE-UHFFFAOYSA-N	402.420	4.660	50	20	HJGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)n1	730140841	RCWQBYXALIMHMB-ZDUSSCGKSA-N	416.938	4.566	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc(C3CC3)no2)c(C)n1-c1cccc(Cl)c1	733372913	CJYFIQVVMZMLDS-RQZCQDPDSA-N	422.872	4.658	50	20	HJGD	
Cc1cc(NNC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)ncn1	734254224	OASPIZZYVIYBCO-GOSISDBHSA-N	402.882	4.554	50	20	HJGD	
COc1cc(C(=O)NN=Cc2cnc(-c3ccc(C)cc3)s2)ccc1OC(C)C	734297200	VJZIYFCZFMRFJQ-UHFFFAOYSA-N	409.511	4.678	50	20	HJGD	
COc1ccc2c(c1)OCC[C@H]2NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	741960683	WLBWLRAFGUOWQR-PGGUJSHWSA-N	421.541	4.707	50	20	HJGD	
Cc1cc([C@](C)(O)CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c(C)o1	743515646	OPOGNDWSNVMICC-BCHRQABDSA-N	423.557	4.751	50	20	HJGD	
O=C(NNc1ccc(Cl)nc1)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	743817230	UTZCWKZEQJRXFY-GOSISDBHSA-N	405.857	4.990	50	20	HJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c1	744566591	AMZDWICKEVURAH-AYCSXLNKSA-N	423.856	4.534	50	20	HJGD	
Cc1nc(-c2cccc(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)c2)cs1	746893827	QABMYJLHTADHMX-UHFFFAOYSA-N	402.401	4.766	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc2noc(-c3ccc(F)cc3)c2c1	747590164	BIMPBSBTIVJCRE-UHFFFAOYSA-N	422.363	4.866	50	20	HJGD	
O=C(NNc1ccccc1F)c1ccc(COc2ccccc2Br)cc1	748057387	TWJVLPKKUULXPN-UHFFFAOYSA-N	415.262	4.924	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1	748308248	VCSKNHNITJSAQF-UHFFFAOYSA-N	421.810	4.574	50	20	HJGD	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NNC(=O)c1cc2ccccc2o1	750289667	WHQKPFYKBGGOCL-LLVKDONJSA-N	406.269	4.787	50	20	HJGD	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1	752303611	WBVJBDOQDHDJCW-UIOOFZCWSA-N	414.489	4.772	50	20	HJGD	
CCc1cc(NNC(=O)Cc2cc3c(ccc4ccccc43)o2)nc(-c2ccccn2)n1	753789358	ILAIGTLRMZHYNG-UHFFFAOYSA-N	423.476	4.686	50	20	HJGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1cc(C(F)(F)F)ccc1F	754152300	HCELHKWASIVFIN-UHFFFAOYSA-N	407.367	4.966	50	20	HJGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@@H](c1ccccc1)c1cccc(F)c1	755110008	NINGEYIYLKDGLP-QHCPKHFHSA-N	413.452	4.713	50	20	HJGD	
Cc1ccc(F)c(NNC(=O)CCc2ncc(-c3ccccc3Br)o2)c1	760137435	UBCNOPMTYBWGOV-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)cc1OC	765613360	KWCQHEFDGXGJRO-JYRVWZFOSA-N	403.232	4.829	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c(C)cc1Br	768441137	WGAIGZCCKFHBOK-UHFFFAOYSA-N	403.198	4.721	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1cc(C#N)cc(Cl)n1	768700531	BJHSPNWYZBNMBA-UHFFFAOYSA-N	410.311	4.510	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cc(O)ccc1Br	769775656	GIHVXWGMHHQHHC-SDQBBNPISA-N	421.678	4.671	50	20	HJGD	
Cc1cc(Oc2ncccn2)ccc1NC(=O)NNc1ccc(OC(F)(F)F)cc1	769984039	VRPSLAAUDSSKJX-UHFFFAOYSA-N	419.363	4.625	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Br)cc2C)cnn1-c1ccccc1C	771431307	HPGNBGPAUHYLGY-UHFFFAOYSA-N	413.319	4.571	50	20	HJGD	
COC(C)(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773336302	XLDWMMKFCRSIND-JTQLQIEISA-N	404.401	4.602	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(n2ccc(C(F)(F)F)n2)CC1	778698262	JSVJOKKTKGNYDF-AWEZNQCLSA-N	407.527	4.780	50	20	HJGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)cc1	783342886	CFFVOXKZIDOJQE-SFHVURJKSA-N	403.482	4.525	50	20	HJGD	
COc1cc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)ccc1OC1CCCC1	787001349	NJWFYDPJCRHUNA-HUCUOGIVSA-N	406.482	4.507	50	20	HJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1C	791075252	DTDKQIDGCBABEA-UHFFFAOYSA-N	412.446	4.654	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3c2OCC[C@@H]3OC)c1C	791090826	BITKFSCOKBLFIK-SLTDHEAWSA-N	407.514	4.921	50	20	HJGD	
C=CCC1(C(=O)NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCC1	791873971	MFTCLYPRVAOZKF-UHFFFAOYSA-N	405.410	4.895	50	20	HJGD	
CCCNC(=O)/C(C#N)=C\c1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl	797314368	BLYHCUVHXBBQHO-WQLSENKSSA-N	411.720	4.633	50	20	HJGD	
CCc1cc(C(=O)NNc2ccc3ccccc3n2)c2c(CC(C)(C)C)noc2n1	800531103	VIERGOQBCRVQNR-UHFFFAOYSA-N	403.486	4.679	50	20	HJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1oc2ccccc2c1COc1ccccc1	805382019	NVHLJAZKCOATDF-UHFFFAOYSA-N	417.421	4.985	50	20	HJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2nccnc2C2CCC2)n1	805470480	TXCXLIUOIFZZPQ-UHFFFAOYSA-N	411.556	4.558	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C1CCCCC1	817913841	MUZKHLAPHRNRMY-NBVRZTHBSA-N	421.932	4.815	50	20	HJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)s1	844239786	OAPUXCKRZPWFGB-OJLMPMFISA-N	406.301	4.663	50	20	HJGD	
CC(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1	877255581	YHGQHPBGUFVQQQ-BKUYFWCQSA-N	412.493	4.907	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918434184	ONQPDXZRVUFPIH-ZUCKAHLUSA-N	422.900	4.882	50	20	HJGD	
O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NC1CCCCC1	1317705285	VXTNBFACKKZKFQ-UHFFFAOYSA-N	422.916	4.832	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)nn1	1318597868	VJNRAAJTIQSOPC-UHFFFAOYSA-N	421.888	4.848	50	20	HJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)c1ccc(F)c(F)c1	1318764858	XMROSDIHVRNNSQ-MRVPVSSYSA-N	423.179	4.993	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(C)n3)CCC2)cc1	1790484977	ZNFZNFSQVFDTBS-DRUFCSCSSA-N	411.933	4.555	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N(C)C)cc3)CCC2)cc1	1790488345	AWFFTZOLQLGFCQ-FQEVSTJZSA-N	413.949	4.518	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccncc34)CCC2)cc1	1790490244	YZCBYDGICIZCTG-NRFANRHFSA-N	421.928	5.000	50	20	HJGD	
COc1cc(C)ccc1C(=O)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1792100373	GBAXQVAHOOQICK-UHFFFAOYSA-N	421.324	4.555	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(F)cc3c2OCOC3)c1C	25830282	NJHZBWXOQCLJCA-QGMBQPNBSA-N	412.461	4.561	50	20	HJGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1	254292376	JZWYSPWMVQGJRU-UHFFFAOYSA-N	423.520	4.996	50	20	HJGD	
N#Cc1cccc(C(=O)NN=Cc2sc(Nc3ccccc3Cl)nc2Cl)c1	728782596	PGEMZSDQOAJMCD-UHFFFAOYSA-N	416.293	4.829	50	20	HJGD	
CC(C)c1ccc([C@@H](NC(=O)NNC(=O)c2cccc3ncccc23)C(C)C)cc1	730113180	NMDQPEMOLUEJTO-QFIPXVFZSA-N	404.514	4.700	50	20	HJGD	
Cc1cccc(-c2ccc(CNC(=O)NNC(=O)c3cc(C)nc4ccccc34)cc2)c1	739039349	POIUXPSLDPZULZ-UHFFFAOYSA-N	424.504	4.663	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)C[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1	741929252	IBCIAHRERXTDEN-BJKOFHAPSA-N	400.522	4.744	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)cc1	744501558	FVJFRICQZNWPPN-MGPOACGJSA-N	412.489	4.864	50	20	HJGD	
Cc1ccc2nc(CNC(=O)/C(C#N)=C\c3cc(C)n(CCC(C)C)c3C)[nH]c2c1	744739990	SEQLVRCCMGXSIR-NDENLUEZSA-N	403.530	4.559	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCOC2(CCOCC2)C1	752976906	XOICYQHIONHPQZ-UHFFFAOYSA-N	402.385	4.757	50	20	HJGD	
Cc1nc[nH]c1CNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc3ccccc23)c1C	754353493	IBJOJKMOOPJZRY-MTJSOVHGSA-N	409.493	4.502	50	20	HJGD	
O=C(NNc1cccnc1Cl)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	754475332	AYLSCUCJRYWCLW-KRWDZBQOSA-N	405.857	4.990	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1	760730820	PEFAHXJTKKDVBC-MBNYPGIVSA-N	419.308	4.539	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1	763012349	MQNVFJRPIYKCPJ-OAQYLSRUSA-N	411.933	4.657	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3cc(C#N)cc(Cl)n3)oc2c1	768706772	AOLKGBCSSBOJEK-UHFFFAOYSA-N	418.840	4.785	50	20	HJGD	
CCOCCOCc1cccc(NC(=O)NNc2ccccc2C(F)(F)F)c1C	770052099	ARBCWSJOZPNVMP-UHFFFAOYSA-N	411.424	4.716	50	20	HJGD	
C[C@@H](CBr)COC(=O)c1oc2ccccc2c1CSc1ncccn1	770358331	LOYUMQBELNWNGB-LBPRGKRZSA-N	421.316	4.703	50	20	HJGD	
CCOc1ccccc1-c1cccc(C(=O)NNC(=S)Nc2cc(C)ccc2F)c1	772162055	KBKIXLRGSBUCFX-UHFFFAOYSA-N	423.513	4.831	50	20	HJGD	
COC1(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCCC1	773583151	MDXNHWLHLXWYOP-UHFFFAOYSA-N	416.412	4.748	50	20	HJGD	
Cc1cc(/C(C#N)=C/c2cn(C)nc2-c2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-]	774559896	TZBAVXAYRLOPOV-WOJGMQOQSA-N	416.437	4.529	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2nc3ccccc3o2)c(C)n1C[C@H]1CCCO1	781805319	GCUUUVCGWNZRPL-UWYDIMJFSA-N	419.481	4.637	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)n2)c1C	782847849	SXOARNXPGAJCAF-AAWHYMEISA-N	407.301	4.560	50	20	HJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)[C@@H]1CCCO1	783777608	MQOZAIUNPYHIFE-SFHVURJKSA-N	411.552	4.873	50	20	HJGD	
COc1cc(C(=O)NNc2c(Cl)cccc2Cl)cc(Br)c1OC	786352230	WWGCSYINHJMARN-UHFFFAOYSA-N	420.090	4.530	50	20	HJGD	
CCCc1cccc(C(C)C)c1NC(=O)C(=O)NNc1ncc(Cl)cc1Cl	788332972	IQNFVOQUCCIJOH-UHFFFAOYSA-N	409.317	4.546	50	20	HJGD	
CCC1(C(=O)O)CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	790623572	OYEBHNQEZRTILO-UHFFFAOYSA-N	423.425	4.610	50	20	HJGD	
COCCOc1cncc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	800827134	SZJODNHKLKRNRC-MRXNPFEDSA-N	420.840	4.578	50	20	HJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	805185399	HAPZTFWISXGRGL-GOSISDBHSA-N	424.504	4.933	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](c2ccccc2)C2CC2)c1C	817088668	GRYVCTBAWJQYPS-CJRWDLSJSA-N	405.542	4.529	50	20	HJGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)c2ccccc2)cs1)c1ccc(F)cc1F	915841620	QGSQZZJQGFPWEX-OQLLNIDSSA-N	409.417	4.896	50	20	HJGD	
Cc1cc(C)nc(SCc2ccc(C(=O)NN=C[C@@H](C)c3ccccc3)cc2)n1	916293932	OITYSTQQBVXBDW-MRXNPFEDSA-N	404.539	4.905	50	20	HJGD	
O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918558739	HCZPVJLXEOQHGS-LBPRGKRZSA-N	417.762	4.760	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	919731154	RXHFTADBAHPQJB-HNNXBMFYSA-N	420.987	4.939	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCc2ccc3ccccc3n2)c(C)n1CC(C)C	919749535	XXRAOFAUGVMHGO-HYARGMPZSA-N	400.526	4.575	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1	920068348	RCVPLHLMUHLSOK-NVNXTCNLSA-N	423.450	4.808	50	20	HJGD	
CCCCCn1nc(C(=O)NN=C(C)CCc2ccc(C)cc2)c2ccccc2c1=O	920365537	RHTUBKMIWDEFOU-UHFFFAOYSA-N	418.541	4.634	50	20	HJGD	
COc1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc1OCc1ccccc1	1322656174	HKDSBASRWRTFRN-UYRXBGFRSA-N	408.461	4.864	50	20	HJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1	1785797582	VQCHMNHTLZDCOC-NRFANRHFSA-N	423.944	4.642	50	20	HJGD	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCBr)cc2)CCC1	1787670194	XDAFHBSDSOVWEZ-UHFFFAOYSA-N	421.379	4.898	50	20	HJGD	
O=C(CCCc1ccccc1F)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788579796	GVAOITKLYWCHSK-FQEVSTJZSA-N	420.887	4.817	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccc2scnc2c1	1789340088	OCJJXDQHKZYDHH-KRWDZBQOSA-N	417.893	4.578	50	20	HJGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCCl)c1ccno1	1800012044	RBTLLSMVYGLFGJ-REPLKXPHSA-N	423.985	4.676	50	20	HJGD	
CC(C)c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)Cl)CC2)cc1	1831598752	XRQJZRQIDGUDGV-RBBKRZOGSA-N	422.972	4.507	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccncc1	7907205	PCCAPFRFYJSLDO-CERSOQDNSA-N	411.509	4.536	50	20	HJGD	
COc1cc(Br)c(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1OC	207895636	HTCUFLDDAOVWKI-QPEQYQDCSA-N	411.255	4.737	50	20	HJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1	211184735	QJUMZMMMEVFZDM-MFOYZWKCSA-N	405.479	4.890	50	20	HJGD	
Cc1ccc(C(C)(C)CNC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1	728484303	KUWBUXXHAMGITD-IGSWSUAKSA-N	419.569	4.593	50	20	HJGD	
CCc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3cnn(CCCl)c3)s2)cc1	728698513	KNFQCQAUULIBJD-OQLLNIDSSA-N	422.341	4.525	50	20	HJGD	
CC(C)c1nc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cs1	731479120	VCPXTFXQNCOXTH-UHFFFAOYSA-N	408.243	4.805	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3cccnc3)c(C)c2)cc1OC	732713461	FGXXZQJJGAXNQS-LDADJPATSA-N	415.449	4.745	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3c(C)noc3C)c2C)c1	733764770	ZPVJOIOHPFQXOP-SVZNOHIVSA-N	402.498	4.792	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Oc2ccc(OC(C)C)cc2)c(C)n1C[C@H]1CCCO1	735253546	MJESNJZKVGBGMB-PGGUJSHWSA-N	408.498	4.584	50	20	HJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1	737777668	LIGKSPIVETXJSU-KRWDZBQOSA-N	421.566	4.817	50	20	HJGD	
CCc1cc(NNC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)nc(-c2ccccn2)n1	738531166	CZADGOHYFLQKJB-XARYMXHKSA-N	405.546	4.541	50	20	HJGD	
COCC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C(C)C	741452829	HFCXUTKVBCCZEB-UHFFFAOYSA-N	413.568	4.977	50	20	HJGD	
CCOc1ccc(-c2nc(CC(=O)NNc3ccc(Cl)c(F)c3)cs2)cc1	746699148	YUWFEBRHVZOYIU-UHFFFAOYSA-N	405.882	4.687	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cn(Cc2ccccc2)nc1-c1ccccc1	746709340	IBBSMAQKQMKOQU-UHFFFAOYSA-N	422.410	4.773	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1OCC	746894653	YGNAJXVLJPZYRL-UHFFFAOYSA-N	421.419	4.912	50	20	HJGD	
O=C(NNc1cccc(F)c1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	748089158	GLRGEZIVQHWCIL-UHFFFAOYSA-N	401.781	4.937	50	20	HJGD	
O=Cc1cccc(OCc2ccccc2C(=O)NNc2ccc(C(F)(F)F)cc2)c1	748506825	GDQFMTHXCZECKP-UHFFFAOYSA-N	414.383	4.854	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(Sc2ccccc2Cl)nn1	748650415	FCKNBHICAQWEIO-UHFFFAOYSA-N	422.844	4.640	50	20	HJGD	
Cc1nc(-c2ccc(CNC(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)cc2)cs1	749209971	QVPTWJUWNQEUNI-UHFFFAOYSA-N	422.554	4.560	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(F)(F)F	750900407	OCCSTVUPJSHJFA-YBEGLDIGSA-N	404.388	4.881	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)c1	751611835	XKBVKYUGZZKUIG-UHFFFAOYSA-N	410.930	4.705	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)cc1	753774721	MVSHHYUEDDEUNV-JXAWBTAJSA-N	400.438	4.522	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)c(Br)c1O	761014378	XSROUEKDYQEAJF-JYRVWZFOSA-N	411.255	4.743	50	20	HJGD	
CCOc1nccc(C)c1C(=O)NNc1c(Cl)cc(Br)cc1Cl	764837275	ZLSXBDUWVRTPIE-UHFFFAOYSA-N	419.106	4.615	50	20	HJGD	
CCCNc1ccc(CNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1	765636826	ZRAQZCUNRJXGBI-UHFFFAOYSA-N	417.513	4.711	50	20	HJGD	
N#C/C(=C\c1ccc(Cl)cc1Br)C(=O)N(CC(F)(F)F)C1CC1	769771501	OKLWSSUHFXJNAA-BJMVGYQFSA-N	407.617	4.563	50	20	HJGD	
O=C(NNc1ccnc(Br)c1)c1cc(Cl)ccc1OC1CCCC1	771560559	GVKWQAKIMJCFEQ-UHFFFAOYSA-N	410.699	4.576	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	776616698	QWSYZHLETSLRNX-POEBIKTISA-N	407.473	4.729	50	20	HJGD	
COc1ccc2nc(NNC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)c(C)cc2c1	778480363	BCOUVIMHSGQJHG-UHFFFAOYSA-N	422.872	4.546	50	20	HJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1ccc(OCc2ccncc2)cc1	779424297	JXHKMCGGHVEZEN-UHFFFAOYSA-N	418.375	4.708	50	20	HJGD	
N#Cc1ccc(NNC(=O)c2csc(-c3ccc(F)c(F)c3)n2)cc1C(F)(F)F	780605236	SOHRBLFTBJUXKZ-UHFFFAOYSA-N	424.354	4.736	50	20	HJGD	
CCOc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc(OCC)c1OCC	780803344	GBAJCNJWFXRUQO-UHFFFAOYSA-N	400.519	4.937	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(CCCn3ccnc3)CC2)c(C)n1CC(C)C	783644610	KAQJWAIGYVWIPG-BUVRLJJBSA-N	421.589	4.583	50	20	HJGD	
COCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1	787144624	KBVQNVKNVIPANZ-LUYJPIOASA-N	419.308	4.803	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1OC	787145406	QJAAUMQTQTYYQL-QENILXLESA-N	405.281	4.795	50	20	HJGD	
COc1cc(NNC(=O)c2ccccc2SCc2cc(C)no2)ccc1Cl	790176582	YGXOMXRAHAHYNC-UHFFFAOYSA-N	403.891	4.694	50	20	HJGD	
CCc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)cnn1-c1ccc(OC)cc1	791719517	IJQSXWDNKGWWES-UHFFFAOYSA-N	405.285	4.507	50	20	HJGD	
C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	796114470	KTXBVFOXSBZUHM-STQMWFEESA-N	420.469	4.591	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	797668663	XFUXRCAFBBDVCD-UHFFFAOYSA-N	422.436	4.891	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccn3)C2)c(C)n1-c1ccccc1F	798718602	FGUWKSQCNXRHRS-BJLUOBIUSA-N	414.484	4.551	50	20	HJGD	
Cc1nc(-c2ccccc2)oc1C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	802038171	FGJVVJDYUVWCDC-UHFFFAOYSA-N	412.449	4.784	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)c(F)cc2Cl)c1C	808865500	TVBIFXGLCGNECO-RHUPODBASA-N	403.885	4.959	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OCC(F)F	809145786	GCBDKHADVHQKHL-APSNUPSMSA-N	416.380	4.654	50	20	HJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1	810204176	KYDBABGTASBKAU-DEDYPNTBSA-N	422.492	4.733	50	20	HJGD	
CCSc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)c1	814143807	ILPHHGDISPPPIK-KKJJZKEWSA-N	411.571	4.648	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc(Br)c2ccccc2c1	815855547	YFLQAVKSNFJJSL-UHFFFAOYSA-N	407.214	4.961	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]nc1-c1ccsc1	817014073	QLEUXSZIAZKLIE-UHFFFAOYSA-N	420.338	4.933	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2OC(C)C)c1C	916081634	VKAIDGBTRNWSQS-TUVRHOMCSA-N	423.557	4.884	50	20	HJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)N[C@H]3CCCc4occc43)cc2C1	916577308	XHPLWIUIBGSERA-ZBFHGGJFSA-N	415.559	4.514	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	917145231	OMSUGPBPULUUBS-SJPXOZHESA-N	404.901	4.927	50	20	HJGD	
COc1cccc(CN(C[C@H]2CCCO2)C(=O)CCCC[C@H]2CCSS2)c1	920820991	NPVFDFYQWYHVJS-UXHICEINSA-N	409.617	4.917	50	20	HJGD	
COc1ccsc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1	1786012579	MOEXXFQBFNPHKZ-UHFFFAOYSA-N	420.962	4.769	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3ncc(C)s3)cc2)CCC1	1787214192	PYUVQHDFZCNPEM-MRXNPFEDSA-N	405.951	4.607	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C)CC1	1832725655	PTVHOACETIHINV-RTWAWAEBSA-N	422.972	4.775	50	20	HJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)c1	69033309	FVUBSQKPYFAICS-XKZIYDEJSA-N	420.472	4.792	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(C)c1OCc1ccccn1	71891221	UDRLJCCGTFWMMT-CPNJWEJPSA-N	401.441	4.962	50	20	HJGD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NN=C(c1ccccc1)c1ccccc1	196383619	FVWXYNXWTCUUSV-XMMPIXPASA-N	409.489	4.519	50	20	HJGD	
Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(CCCCl)cc3)[nH]c2c1	726975058	UTBKNYKJXRZWKH-FQEVSTJZSA-N	417.962	4.569	50	20	HJGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2csc(-c3ccccc3Cl)n2)c1	727492900	AJSWZXHYODAFKM-UHFFFAOYSA-N	420.922	4.542	50	20	HJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)c3ccc(F)cc3)cc2)cc1	730589222	LFMBPPVGIKQHLE-STZFKDTASA-N	415.420	4.981	50	20	HJGD	
CN(C(=O)/C(C#N)=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CCCCC1	732716582	VVTKQBMZMJVFNO-DTQAZKPQSA-N	402.420	4.589	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2cnnc3ccccc23)c(C)n1C1CCCCC1	733811171	FRRBLVPIZXURKN-CPNJWEJPSA-N	414.513	4.604	50	20	HJGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)S(=O)(=O)c1cc(Cl)ccc1Cl	737444375	QFYVPLHNTYEVQR-MLPAPPSSSA-N	412.685	4.633	50	20	HJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1cccc(C(F)(F)F)n1	740141950	YKQPBOLJEHCGCS-UHFFFAOYSA-N	407.417	4.985	50	20	HJGD	
CCN(CC)C(=O)Nc1ccc(C(C)=NNC(=O)c2cccc3ccccc23)cc1	741465530	OCUPPUKCNKNAEM-UHFFFAOYSA-N	402.498	4.868	50	20	HJGD	
O=C(CC1CCC1)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	742469884	KDDWBXOJYJRRNB-UHFFFAOYSA-N	414.505	4.884	50	20	HJGD	
COc1ccc2oc([C@@H](C)NC(=O)NNC(=O)c3cccc4ccccc34)c(C)c2c1	743596220	MXCHONROVDBUSH-OAHLLOKOSA-N	417.465	4.608	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n1	748335975	SFFXZZXZEPKYMY-UHFFFAOYSA-N	405.845	4.517	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ncc(C)s3)c2C)cc1	750087212	CXIHSKDLGSUOGG-VXIUPONVSA-N	420.538	4.652	50	20	HJGD	
CCn1cnnc1-c1ccccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	750598496	QXLJDUVGTZSYAM-UHFFFAOYSA-N	412.497	4.708	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1	751792622	WVYQGCFANMNYCO-PTNGSMBKSA-N	401.894	4.578	50	20	HJGD	
O=C1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CN1CC(F)(F)F	753021187	LGDWDTOJJAPJKV-UHFFFAOYSA-N	413.290	4.540	50	20	HJGD	
COc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)ccc1OC1CCCC1	754150393	SASJTRLRVPLATN-UHFFFAOYSA-N	412.383	4.931	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)C/C(C)=C\c2ccccc2)c1C	756571805	DVGMUQLRKYTKLP-VGZFMQKCSA-N	405.542	4.781	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1nc2ccc(F)cc2s1	761392778	PONMKQUHZAJJAU-WDZFZDKYSA-N	401.850	4.952	50	20	HJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CC(=O)N(Cc2ccco2)C1	762522341	XAEFTMGIULCEGV-NSHDSACASA-N	410.364	4.924	50	20	HJGD	
O=C(NNC(=O)C1CCC(C(F)(F)F)CC1)Nc1ccc(-c2ccccc2)cc1	768224433	KHNMZXAMHUWDFR-UHFFFAOYSA-N	405.420	4.875	50	20	HJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-c2ccc(Br)cc2)s1	772860328	MLBMDWQSGVDNNS-UHFFFAOYSA-N	417.332	4.848	50	20	HJGD	
Cc1cnc([C@@H](C)NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)s1	773382403	WTDFRGVJVNDYLZ-SECBINFHSA-N	415.409	4.925	50	20	HJGD	
C[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1OC(F)F	774880365	XVQVVINGWVOTKP-GOSISDBHSA-N	415.420	4.953	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc(OCc2ccncc2)cc1	775606664	QNVIZKMCGWGMHZ-UHFFFAOYSA-N	402.376	4.828	50	20	HJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1	777530395	ATTXBRJIFSDFGJ-UHFFFAOYSA-N	417.415	4.809	50	20	HJGD	
O=S(=O)(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1cccc(S(F)(F)(F)(F)F)c1	777995919	ASOASUNNGRALBX-MGPQQGTHSA-N	407.426	4.580	50	20	HJGD	
O=C(Nc1ccccc1SC(F)F)C(=O)NN(c1ccccc1)c1ccccc1	782820788	IJICCCQNGRWVJL-UHFFFAOYSA-N	413.449	4.809	50	20	HJGD	
O=S(=O)(NCC[C@H](O)c1ccccc1)c1ccc(S(F)(F)(F)(F)F)cc1	782978587	CTZIUWVQJXTVOM-HNNXBMFYSA-N	417.421	4.746	50	20	HJGD	
CC(C)[C@@H](O)C(C)(C)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782986271	FDGFTJCRUCWRHW-CYBMUJFWSA-N	411.458	4.665	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3csc(C)n3)c2)c1C	790161957	PZEQNSUNLDLSAO-JAIQZWGSSA-N	420.538	4.729	50	20	HJGD	
O=C(NNc1nc2ccccn2n1)c1cc(Cl)ccc1Oc1cccc(Cl)c1	791243160	NNHDSDZLRXIZNF-UHFFFAOYSA-N	414.252	4.585	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(OC(F)F)cc(OC(F)F)c1	791727559	XYUPBJUXTHVHSR-UHFFFAOYSA-N	413.154	4.953	50	20	HJGD	
COc1ccc(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c(O)c1	795357520	RXIKGYJVUKTLBM-UHFFFAOYSA-N	419.393	4.537	50	20	HJGD	
C=C(CBr)COC(=O)c1ccsc1NC(=O)c1ccccc1Cl	795501573	SHGOSMBYGAUJTC-UHFFFAOYSA-N	414.708	4.762	50	20	HJGD	
COc1cc(C(=O)NN=C2CCC[C@@H](c3cccnc3)C2)ccc1OCCC(C)C	799871666	CAWPZFLNFWOQEC-GOSISDBHSA-N	409.530	4.959	50	20	HJGD	
Cc1ccc2oc(C(=O)NNC(=O)Nc3c(Cl)cc(Cl)cc3Cl)cc2n1	802074129	YRBMMAAATBCZBU-UHFFFAOYSA-N	413.648	4.563	50	20	HJGD	
CN(CC(Cl)Cl)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	808246606	GHVTYGIVWNBWQZ-UHFFFAOYSA-N	403.649	4.916	50	20	HJGD	
COCCOCc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1	809147880	WFEWOGRQQFAMFY-YBFXNURJSA-N	420.431	4.620	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)c(C)n1C1CCCCC1	813501585	DXZVZDDLCJIQGC-JXHAIKTOSA-N	407.558	4.877	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@H](CO)c2ccccc21	814402916	PTHWHOZSZZCMLZ-LLVKDONJSA-N	415.405	4.629	50	20	HJGD	
Cc1nc2ccccc2n1CC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014123	SIEBJCVWFJXZHJ-UHFFFAOYSA-N	416.325	4.526	50	20	HJGD	
O=C(CSc1ccccc1C(=O)NNc1ccccc1)NC1CCCCCCC1	868121800	SUJBZDCQYWPSGQ-UHFFFAOYSA-N	411.571	4.765	50	20	HJGD	
COc1ccc(Nc2nc(COC(=O)/C(C#N)=C\c3ccc(C)cc3)cs2)cc1	913229318	XQOWXZWWRJOCPN-BOPFTXTBSA-N	405.479	4.854	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(-c2ccc(Cl)cc2)n1	916138265	BTUYFPGHHWEMOL-VBKFSLOCSA-N	419.847	4.802	50	20	HJGD	
CCC(=O)Nc1cccc(CNC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	916381728	QLNYUTXVJOOTGC-UHFFFAOYSA-N	415.708	4.822	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Oc2cccc(Cl)c2)c(-c2ccccc2)n1	916851941	MNVJZLWDLSDJQT-ATVHPVEESA-N	402.841	4.630	50	20	HJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	1318065584	IGGGNYYRCGUZEY-UHFFFAOYSA-N	400.822	4.784	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCCN2CCC[C@H]2C1	1318879453	PMUFQNRVNCLSOW-SWLSCSKDSA-N	407.889	4.608	50	20	HJGD	
O=C(Cc1ccc(Cl)s1)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1786733281	WPFMCENIEVZUET-INIZCTEOSA-N	415.317	4.613	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1)c1ccc2cnccc2c1	1789013229	RRDSZNOPURCEOQ-IBGZPJMESA-N	411.864	4.517	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3nc(C)c(C)s3)CCC2)cc1	1790486580	GSDSCLVSQMNULJ-INIZCTEOSA-N	405.951	4.525	50	20	HJGD	
CC[C@H]1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)C(C)(C)CCl)C3)CC2)CC1	1805266684	JBLCWPNVUFNEIA-WGSAOQKQSA-N	411.030	4.699	50	20	HJGD	
CCC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1	1815324748	WTVQRTFBNRNVGC-PVEYFEBJSA-N	420.985	4.780	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(C)cc2)[nH]n1	1820860464	LLDHSMAHRAEUHL-VDZJLULYSA-N	416.953	4.531	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1C	21457278	ZGVSNJFUMOJAQQ-YBFXNURJSA-N	404.466	4.580	50	20	HJGD	
CC(C)(Br)C(=O)CCSSCCC(=O)C(C)(C)Br	230450043	JAFRJHVELCTOSM-UHFFFAOYSA-N	420.232	4.633	50	20	HJGD	
C[C@@]12CC3CC(C(=O)NNC(=O)c4ccc(COc5ccccc5)o4)(C1)C[C@](C)(C3)C2	302222136	MWANEGMETNCIMA-FXOOJFCESA-N	422.525	4.616	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cc(-c3ccccc3)on2)c1C	726776548	SYPZQRAGJKKQFL-BKUYFWCQSA-N	402.498	4.783	50	20	HJGD	
CC(C)C[C@H](NC(=O)NNC(=O)CCc1ccccc1)c1cccc(C(F)(F)F)c1	726852045	ZWXLTTKCBAOHHK-IBGZPJMESA-N	421.463	4.756	50	20	HJGD	
CC(C)[C@H](NC(=O)CCCC[C@H]1CCSS1)c1nc(-c2ccncc2)no1	727855042	YDAFYRLTENSXCT-RDJZCZTQSA-N	406.577	4.659	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(OC(C)C)CC2)c1C	730509207	QLVQSDGNSSWBBQ-JCMHNJIXSA-N	405.542	4.726	50	20	HJGD	
Cc1cc(C=NNC(=O)CCSc2ccc(F)cc2)ccc1Oc1cccnc1	732711563	PQJHGVMIKLYQLS-UHFFFAOYSA-N	409.486	4.954	50	20	HJGD	
COC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	733175334	ROLNLRWPZWCLTG-BAOGCXAUSA-N	411.933	4.540	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(O)c(Cl)c1	734094872	WUBMVKYJSRFZRS-UHFFFAOYSA-N	420.208	4.631	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c(C)n1CC(C)C	736490071	AGNHCPIKXZDGLG-UUMRFZBWSA-N	420.557	4.532	50	20	HJGD	
CC(C)c1cnc(SCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)n1C(C)C	739435150	GZRLVIOWBRLCOE-UHFFFAOYSA-N	409.559	4.570	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	740763689	FXQMQGASKLUPPR-RDPIHGLISA-N	418.928	4.986	50	20	HJGD	
CCN(CC)[C@H]1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	743085200	WEEDLZWJOVHXOM-SWLSCSKDSA-N	409.905	4.854	50	20	HJGD	
O=C(NNC(=O)c1cnc(-c2ccco2)s1)Nc1ccc(-c2ccccc2)cc1	743825726	ANHBROWIINCHGC-UHFFFAOYSA-N	404.451	4.537	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2cccc3c2CCCC3)c1C(F)(F)F	748573582	DHZKMHNPYYUAFP-UHFFFAOYSA-N	414.431	4.835	50	20	HJGD	
C[C@@H]1CN(CCCNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H](C)O1	752980615	QOMNBBJOHKMGGD-CHWSQXEVSA-N	417.444	4.965	50	20	HJGD	
O=C(NN=C1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(Br)s1	753691308	ULSJQCGRPZAWEZ-LLVKDONJSA-N	422.304	4.547	50	20	HJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3nc(C(F)(F)F)cs3)o2)c(C)c1	755858442	UCCGKWFNVKAGSL-UHFFFAOYSA-N	411.405	4.708	50	20	HJGD	
O=C(NNC(=O)c1ccncc1)Nc1ccccc1-c1ccc(-c2ccccc2)cc1	756463872	FELSGLLJIDXRLU-UHFFFAOYSA-N	408.461	4.882	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1c(Cl)cccc1N1CCCC1	763360046	YZDSMJBCXICGDJ-UHFFFAOYSA-N	424.957	4.757	50	20	HJGD	
O=C(NNc1cccc2cnccc12)c1cc([N+](=O)[O-])ccc1SC1CCCC1	765013981	DQKVIPTVWYAFIG-UHFFFAOYSA-N	408.483	4.935	50	20	HJGD	
CC1(C)CN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC(C)(C)C1	768647614	KSAXFFHYMBFGNQ-DEDYPNTBSA-N	415.541	4.655	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c(-c2cccs2)n1	769552786	XVMKKVZZOJYZQM-XFXZXTDPSA-N	402.401	4.713	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c(Br)cc1O	773153573	IEJMFIQMBBJWPP-WMZJFQQLSA-N	410.626	4.746	50	20	HJGD	
CCO[C@@H](CCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(C)C	773354073	HBEYATDPMLRDJQ-AWEZNQCLSA-N	418.428	4.850	50	20	HJGD	
Cc1cc(C(N)=O)ccc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777603567	BDQKCCGNDICMSL-UHFFFAOYSA-N	416.393	4.552	50	20	HJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1	777809439	SUILVIPZQQCRMZ-ISRVBRPNSA-N	406.490	4.505	50	20	HJGD	
C[C@@](O)(CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1	777964004	NIOMHCXKDHVECP-OAHLLOKOSA-N	417.421	4.530	50	20	HJGD	
O=S(=O)(NCc1ccc2c(c1)COC2)c1cccc(S(F)(F)(F)(F)F)c1	778003284	CDFSHMFQVIXMDQ-UHFFFAOYSA-N	415.405	4.853	50	20	HJGD	
Cn1nc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	779752594	RIZYDFZWYVSHRX-KAMYIIQDSA-N	423.270	4.521	50	20	HJGD	
C[C@H](Oc1ccccc1NC(=O)C(=O)NNc1ccccc1Cl)c1ccccc1	784774165	KYWFORHZPDIQMA-HNNXBMFYSA-N	409.873	4.562	50	20	HJGD	
C#CCC1(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)CCCCC1	788582660	FHDLRRMSXUDVOW-UHFFFAOYSA-N	417.884	4.650	50	20	HJGD	
C[C@@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C[C@H](C2CC2)O1	795208284	HGIZGEDGGSFPSW-QMTHXVAHSA-N	407.426	4.532	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c(C)c1	798124451	UVDHQZYTCPRSQB-UHFFFAOYSA-N	416.506	4.743	50	20	HJGD	
CC(C)(CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(F)(F)F	802580169	QLGMCNIAXCAJKE-UHFFFAOYSA-N	414.318	4.987	50	20	HJGD	
Cc1ccc2nc(COc3cccc(C(=O)NNc4ccccc4Cl)c3)cn2c1	817988580	OQYGKNMEHQQPQE-UHFFFAOYSA-N	406.873	4.632	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2cccc(F)c2)C2CCCC2)c1C	914518954	VKIPXQSKLJELDT-JCMHNJIXSA-N	423.532	4.769	50	20	HJGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2c(-c3ccccc3)nc3sccn23)c1C	917028606	YRQIPYFMSKBFIC-KRWDZBQOSA-N	418.522	4.597	50	20	HJGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1ccc2ccccc2c1	918109774	CXAYVGDKJFWSIE-UHFFFAOYSA-N	423.831	4.671	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	918225293	WJFYSIXTWQXTPY-UHFFFAOYSA-N	410.301	4.822	50	20	HJGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1	920813247	URYNJURSEMVXQE-UHFFFAOYSA-N	416.374	4.515	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@H]2OCCC[C@@H]2C1	1190012074	YPSNIMHMZBSPRN-BXUZGUMPSA-N	407.426	4.534	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1	1785799406	AMUYGCGFDWSXGH-YOEHRIQHSA-N	412.908	4.963	50	20	HJGD	
Cc1cc(C)c(NC(=S)NNC(=O)CCSc2ccc(F)cc2)c(Cl)c1	7326195	OADUUTRQBKVEHY-UHFFFAOYSA-N	411.955	4.596	50	20	HJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)c1	16409848	HHBOJJSCTBPTFA-GXDHUFHOSA-N	410.836	4.528	50	20	HJGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)Nc1ccc(C#N)c(Cl)c1	16860226	KGNSRDOVWZVIGN-SWLSCSKDSA-N	412.964	4.796	50	20	HJGD	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1OC	23218021	HTCUFLDDAOVWKI-NTUHNPAUSA-N	411.255	4.737	50	20	HJGD	
C=CCn1c(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)nc2ccccc21	24269924	YCVPWSATNGBSHX-CQSZACIVSA-N	401.495	4.545	50	20	HJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(C)(C)C)ccc2OC)c1C	24690782	ANGNNQQYQXUHAP-CPNJWEJPSA-N	409.530	4.603	50	20	HJGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)cc1	302912541	PRLBOWMEUCMAPP-XQNSMLJCSA-N	412.489	4.540	50	20	HJGD	
Cc1cc(O[C@@H](C)C(=O)NNC(=O)c2c(Cl)cccc2Cl)ccc1C(C)C	727792264	NJMBJTNEJYEUOD-ZDUSSCGKSA-N	409.313	4.654	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nccn2Cc2ccccc2)c(C)n1CC(C)C	728602852	RDDHAHOVHQJESF-XKZIYDEJSA-N	401.514	4.551	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1c(F)cccc1F	743546593	GOPAWFPZVBNOKV-CQSZACIVSA-N	410.424	4.729	50	20	HJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NNc1ccc(C(F)(F)F)cc1	747605019	NGTITYJGXNNQQV-UHFFFAOYSA-N	422.838	4.977	50	20	HJGD	
COc1ccc(Br)c(/C=C(\C#N)c2nc(O)c3c(C)c(C)sc3n2)c1	747695292	JOSUVTHKSUPLFC-WUXMJOGZSA-N	416.300	4.849	50	20	HJGD	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1ccccc1F	748056268	PDZYHZZDZKXCLV-LBPRGKRZSA-N	405.882	4.899	50	20	HJGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748695513	LLJLSTNWTGXIKZ-HNNXBMFYSA-N	402.800	4.582	50	20	HJGD	
CCCCOC(=O)/C(C#N)=C/c1cc(Br)c(OC(F)F)c(OCC)c1	750895078	ZUYCNHFHICIFKL-KPKJPENVSA-N	418.234	4.699	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1ccc(CCC(F)(F)F)cc1	752007584	LRWPCMGPCBCLBW-UHFFFAOYSA-N	423.179	4.979	50	20	HJGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)Cc2csc3ccc(Cl)cc23)c1C	752622248	UPWFCSPHMGBBJK-UHFFFAOYSA-N	423.929	4.709	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2noc(-c3ccc(F)cc3)n2)c(C)n1CC(C)C	752808733	UJIWLCZMFZWUNQ-GRSHGNNSSA-N	422.460	4.600	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H]1CN1CCOCC1	752972658	KXTULSFERBQAJC-AWEZNQCLSA-N	415.428	4.673	50	20	HJGD	
COc1ccccc1C[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)C(C)C	754488105	GPPDYCXVJIWSHX-VWLOTQADSA-N	421.521	4.866	50	20	HJGD	
Cc1csc(CC(=O)NN=Cc2nc(-c3cc(Cl)ccc3Cl)cs2)n1	755612449	MLSKCDJXKOCGOA-UHFFFAOYSA-N	411.339	4.575	50	20	HJGD	
CC(C)c1ccc(Sc2ccc(NC(=O)NNC(=O)c3cccnc3)cc2)cc1	756295671	SKIKGCZOVKFJJP-UHFFFAOYSA-N	406.511	4.823	50	20	HJGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)o1	756334962	BFFAUQRMUKZBEO-UHFFFAOYSA-N	420.400	4.534	50	20	HJGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	758419355	VPNOVNZWUBMRKI-BRFSQIRFSA-N	420.490	4.823	50	20	HJGD	
Cc1nc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)no1	759511579	OXBSWDFGOMILMG-KDVQLTRESA-N	410.861	4.650	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC(C)(O)CC2)c(C)n1-c1cccc2ccccc12	760006116	CNYHZKCCXCMUFA-JWGURIENSA-N	413.521	4.528	50	20	HJGD	
N#C/C(=C\c1nc2ccc(F)cc2s1)C(=O)Nc1ccccc1Br	761387064	TYADTDJEKUQULB-JXMROGBWSA-N	402.248	4.744	50	20	HJGD	
CCCOc1cccc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	766261779	KAQRBJLAGYFSEU-UHFFFAOYSA-N	416.692	4.517	50	20	HJGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)c1	766553517	CWGSTEPWUJENMK-VQIMIIECSA-N	405.608	4.777	50	20	HJGD	
CCC(CC)n1nccc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	770954121	DJGBPSLDAHWFBD-UHFFFAOYSA-N	419.245	4.782	50	20	HJGD	
COc1cc(NC(=O)NNc2c(F)cccc2Cl)ccc1NC(=O)OC(C)(C)C	771114385	XMWMEDGARNSUSA-UHFFFAOYSA-N	424.860	4.983	50	20	HJGD	
C[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC(F)F)cc1	774936905	JKSDPAIXSVBDHJ-SFHVURJKSA-N	415.420	4.953	50	20	HJGD	
N#Cc1cccc(OCc2cccc(C(=O)NNc3ncc(Cl)cc3Cl)c2)c1	775276019	XFLGAOQGTUCUEP-UHFFFAOYSA-N	413.264	4.596	50	20	HJGD	
C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777619318	GUEHDZUHMNORKW-LBPRGKRZSA-N	417.421	4.920	50	20	HJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c(-c2ccc(C#N)cc2)n1	777872288	QDZBYPQTSWTQEJ-YBEGLDIGSA-N	421.382	4.523	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N(C[C@@H]1CCOC1)C1CC1	777881162	XGHYJHLKEPHGBE-NSHDSACASA-N	407.426	4.534	50	20	HJGD	
O=S(=O)(Nc1ccc2oc(O)nc2c1)c1ccc(S(F)(F)(F)(F)F)cc1	782910356	JCAUVWFDMLUGJW-UHFFFAOYSA-N	416.349	4.992	50	20	HJGD	
Cc1nc(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cs1	782978695	CCLRQZSETYWZFI-UHFFFAOYSA-N	408.439	4.630	50	20	HJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2F)o1)C(=O)N1CCn2c1nc1ccccc12	790100835	SNOMRJYJBFRLLH-WYMLVPIESA-N	416.387	4.528	50	20	HJGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	792779912	LKICUADFVQZODS-UHFFFAOYSA-N	420.347	4.642	50	20	HJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc(F)c(Cl)c1	794696853	WHWZAEPFSDWAAC-XYOKQWHBSA-N	416.243	4.567	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2c(F)cccc2F)c(C)n1C[C@H]1CCCO1	797030046	LLWRUNGMXIEFOI-XJPOOAEGSA-N	414.452	4.774	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(Cl)nc2Cl)c1C	800079189	NNCSSXHCWAHTGJ-TVYFDWKESA-N	422.312	4.665	50	20	HJGD	
C[C@H](CO)N(CC1CCC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	800940181	FMWPWHCXHQKMSP-LLVKDONJSA-N	409.442	4.516	50	20	HJGD	
O=C(NNC(=O)[C@H]1CCSc2ccccc21)Nc1ccc(-c2ccccc2)cc1	802037647	ORHPOOCTTMYEQV-FQEVSTJZSA-N	403.507	4.786	50	20	HJGD	
Cc1c(NNC(=O)c2cccc3cccc(Br)c23)cccc1[N+](=O)[O-]	802830343	SUFWOXJZGOTZST-UHFFFAOYSA-N	400.232	4.576	50	20	HJGD	
CCOC1CC2(CCN(C(=O)/C(C#N)=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2)C1	804629800	KBPOZZKFWPRZNO-NDENLUEZSA-N	421.516	4.558	50	20	HJGD	
CCCn1c(CO)nnc1SCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	806591661	WCVUXZXRVHLPQR-UHFFFAOYSA-N	407.656	4.995	50	20	HJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc2nc(C(F)F)sc2c1)c1ccccc1	806693842	UDKBECISZLNDKY-CYBMUJFWSA-N	404.442	4.580	50	20	HJGD	
Cc1cc(NNC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)ccc1Br	806863454	KILPUDNAQYNYHP-UHFFFAOYSA-N	417.694	4.625	50	20	HJGD	
C[C@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1ccc(Oc2cccnc2)cc1	807619321	VPEHROTXOYYKSZ-LBPRGKRZSA-N	402.376	4.679	50	20	HJGD	
COC(=O)c1ccc(Cl)c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	810020388	NSJUSUPUTCXYBX-UHFFFAOYSA-N	408.068	4.844	50	20	HJGD	
CC(C)n1ncc2c(C(=O)NNc3cccc(Cl)n3)cc(-c3cccs3)nc21	817008838	JUDRPBRTKCYUDZ-UHFFFAOYSA-N	412.906	4.546	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccnc3Cl)c2C)cc1	819207889	MUPPXDAVCWFDKH-SFQUDFHCSA-N	406.873	4.697	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC=C(c3ccc(C)cc3)CC2)c1C	843537268	MRSJAMYPQMOFIK-RASHHNMQSA-N	417.553	4.844	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1	849210132	COBXFFVFHAIPBY-MHIQDMOBSA-N	424.500	4.740	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCCO3)c(C)n1C1CCCCC1	864094753	ZRSXMNLVHKLKHN-STZFKDTASA-N	419.525	4.605	50	20	HJGD	
CCCN(Cc1ccc(C#N)cc1)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	914512158	JPYOQVUYPKFWBM-HTAGGTJDSA-N	418.541	4.530	50	20	HJGD	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)N1CCn2c1nc1ccccc12	915853538	LHIIOCSEXLSIKK-RCCKNPSSSA-N	420.472	4.569	50	20	HJGD	
COc1ccccc1Nc1nc(Cl)c(C=NNC(=O)c2cccc(Cl)c2)s1	916541302	OFMFDHBAYSFLMA-UHFFFAOYSA-N	421.309	4.966	50	20	HJGD	
N#C/C(=C\c1csc(-c2ccsc2)n1)C(=O)Nc1nc(-c2ccncc2)cs1	920063641	BVOCZRNQSPLHFR-VGOFMYFVSA-N	421.532	4.936	50	20	HJGD	
CCC(CCc1ccc(Br)cc1)=NNC(=O)c1cc(OC)cc(OC)c1	921139988	LSQBZIQBUFWXGA-UHFFFAOYSA-N	419.319	4.595	50	20	HJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@H]2OCCC[C@H]2C1	1253191125	VYVNZDKKZSEBRW-LNSITVRQSA-N	408.873	4.939	50	20	HJGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(-c2ccccc2)s1	1318033661	XLXWNXJJLBXVIF-UHFFFAOYSA-N	419.428	4.578	50	20	HJGD	
Cc1nc(-c2ccc([C@H](C)NC(=O)NNc3ccc(C(C)(C)C)nn3)cc2)cs1	1318938598	HOXKGELSDLYHKR-ZDUSSCGKSA-N	410.547	4.593	50	20	HJGD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCBr)cc3)CCC2)s1	1787672528	QTVNNDCOHUCSEJ-UHFFFAOYSA-N	421.360	4.589	50	20	HJGD	
CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)CO[Si](C)(C)C)CCC3)cc2)CC1	1789113616	IRNFGVWSDAPQRB-GOSISDBHSA-N	414.622	4.718	50	20	HJGD	
Cc1c(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)Cl)CCC3)cc2)ccc(F)c1F	1792117281	OGNJJFREFDBCGH-QGZVFWFLSA-N	410.823	4.555	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)c(C)c2)n[nH]1	1821113946	JGVWCXRUSMDVKN-YJBOKZPZSA-N	420.916	4.571	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2C(C)C)c1C	6609862	QLIOYIAHJRKNQJ-DEDYPNTBSA-N	407.514	4.727	50	20	HJGD	
Cc1cccc2sc(NC(=O)/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)nc12	7725116	RFUILDAOYLWQKJ-WAGPWIPHSA-N	420.538	4.748	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)OC2CCCCC2)ccc1OC(=O)c1cccs1	14178778	DLPQKZNBWOCUKJ-FOWTUZBSSA-N	411.479	4.759	50	20	HJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)C(=O)Nc1cccc(C(F)(F)F)c1	98008563	RGTMPSFKHWTIMG-WQLSENKSSA-N	400.385	4.770	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cccc(OCc2ccc(Cl)cc2)c1	728970410	ULBXUGKEHJLGQH-UHFFFAOYSA-N	420.856	4.726	50	20	HJGD	
CN(C(=O)CCCC[C@@H]1CCSS1)[C@@H]1CCN(c2ccccc2Cl)C1=O	732120170	ODNGZOYSHRUXDR-RHSMWYFYSA-N	413.008	4.618	50	20	HJGD	
CCc1nnc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)o1	732309873	JFOOFRWAPUQVKU-ADFUCPMPSA-N	424.888	4.904	50	20	HJGD	
CCn1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	732528901	FCPMLBPNQKWFLS-LFYBBSHMSA-N	418.309	4.879	50	20	HJGD	
O=C(CCSc1ccc(F)cc1)NN=C(CC1CCCCC1)c1ncccn1	733907743	UHPAIIXPDDJCPM-UHFFFAOYSA-N	400.523	4.589	50	20	HJGD	
Cc1ccc(-c2ncc(C=NNC(=O)c3cc(F)ccc3Br)s2)cc1	734299843	WONJJDREVWWDQL-UHFFFAOYSA-N	418.291	4.784	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cnn(-c4ccccn4)c3)c2C)c1	739655867	GCOLEDZHQDFEGO-BKUYFWCQSA-N	422.492	4.529	50	20	HJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)nn1C(C)(C)C	742004830	CINANZXVGPFSSV-UHFFFAOYSA-N	420.138	4.773	50	20	HJGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c(Cl)c1	743505088	ANLQBPTUVRPDIR-NSHDSACASA-N	414.815	4.764	50	20	HJGD	
CCC[C@@H](CC)NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12	744886610	BPNUVRBVEZEHJX-GOSISDBHSA-N	404.514	4.733	50	20	HJGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)c(C(F)(F)F)c1	747414237	BGPMDHBPGGHMNE-UHFFFAOYSA-N	417.174	4.819	50	20	HJGD	
Cc1ccc(C(=O)CCC(=O)CCC(=O)NNc2ccc(Cl)cc2Cl)s1	748008030	MGMRVVYLOQMYGZ-UHFFFAOYSA-N	413.326	4.819	50	20	HJGD	
COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)CCCC[C@@H]1CCSS1	748736166	VDTKBKPNLUIHJG-MRXNPFEDSA-N	401.981	4.556	50	20	HJGD	
Cc1cscc1C(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1	749310074	DRAJHUZKVBRTGN-UHFFFAOYSA-N	414.552	4.770	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)C(C)(C)C)cc(Br)c1OC(F)F	750900962	SBXKHJGIQHPZMV-WDZFZDKYSA-N	402.235	4.971	50	20	HJGD	
COCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	751443503	KTWYXIGYVBJGKX-QINSGFPZSA-N	404.438	4.572	50	20	HJGD	
Cc1c(Br)cc(C(=O)NNc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	753660629	VBBJTIUKJWHCEG-UHFFFAOYSA-N	419.062	4.729	50	20	HJGD	
CCn1nccc1/C=C(/C#N)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	753683547	UJXMHHPRHARMTC-VBKFSLOCSA-N	410.424	4.702	50	20	HJGD	
COc1cc(F)cc(NNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1	759325444	KROLOVAIGIAOKH-VCHYOVAHSA-N	410.493	4.808	50	20	HJGD	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1	761591515	QCTJVXHJZCVRJF-UHFFFAOYSA-N	415.799	4.590	50	20	HJGD	
O=C(NC[C@H](O)COc1ccccc1)Nc1cccc(S(F)(F)(F)(F)F)c1	762976874	YLAACQCFVMEIRW-ZDUSSCGKSA-N	412.380	4.905	50	20	HJGD	
COc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1Br	767395317	BWLSMAGAVSNEEC-UHFFFAOYSA-N	408.054	4.661	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)c1	768097298	HZEHCAGZZQDREL-UHFFFAOYSA-N	410.836	4.584	50	20	HJGD	
C[C@@H](c1cccnc1)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773073248	KWHPJUXDXWRKER-NSHDSACASA-N	409.380	4.897	50	20	HJGD	
O=C(NNc1cnc2ccccc2n1)c1cccc(OCc2ccc(Cl)cc2)c1	774770084	KKIBFMKEXDZHCQ-UHFFFAOYSA-N	404.857	4.619	50	20	HJGD	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncc(Cl)cc1Cl	775276705	SZORXDDGWYHBMP-UHFFFAOYSA-N	401.275	4.554	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1cc(F)ccc1OC[C@H]1CCCO1	775610798	SXWTYIZOWYNPJD-OAHLLOKOSA-N	413.371	4.551	50	20	HJGD	
CCC1(CO)CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	778043668	NOQMUPLILIUQFW-UHFFFAOYSA-N	409.442	4.517	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCc2c(ncn2-c2ccc(F)cc2)C1	781184961	PVAXBVJJFLXFDS-QGZVFWFLSA-N	405.564	4.610	50	20	HJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	782522181	AFCMMCXSURGBIE-XSORJCKLSA-N	403.360	4.552	50	20	HJGD	
CCCCOc1ccccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782821602	PELWGLWVKDQKGK-UHFFFAOYSA-N	403.482	4.674	50	20	HJGD	
O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782984194	RUMGVCJAZRETQM-UHFFFAOYSA-N	418.365	4.731	50	20	HJGD	
Cc1cc(F)cc(NC(=O)C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1	783068090	GIQFKSNBMMVGHF-INIZCTEOSA-N	420.815	4.931	50	20	HJGD	
N#C/C(=C/c1cc2ccccc2nc1N1CCOCC1)C(=O)c1ccc(Cl)s1	783714324	HCFIRSNTWBPSQO-VBKFSLOCSA-N	409.898	4.576	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)ccc1Cl	788580115	ZXQRFVPESLQPBI-AWEZNQCLSA-N	416.909	4.512	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H]2CCOc3c(C)cccc32)c1C	789501081	QEGDJDDPTPNALB-UJXHEIMFSA-N	408.498	4.595	50	20	HJGD	
COc1cc(NNC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)ccc1Cl	790168536	NBWGBMGMDIMWDY-UHFFFAOYSA-N	419.312	4.621	50	20	HJGD	
CSSCCNC(=O)c1oc2ccccc2c1CSc1nnc(C)s1	791151683	BFFJQKABBIICDZ-UHFFFAOYSA-N	411.599	4.626	50	20	HJGD	
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNc1cc(Cl)cc(Cl)c1	791717027	OQOXBONYCSLVTH-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
CCc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3ncc(CN(C)C)s3)c2C)cc1	794696909	WKODTVQCCMVYSA-UNOMPAQXSA-N	418.566	4.965	50	20	HJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNC(=O)c1ccc2ccccc2c1	794974884	VHANFMJDUAXVBL-UHFFFAOYSA-N	405.841	4.531	50	20	HJGD	
CCCCc1ccc(NC(=S)NNC(=O)c2ccc(C(F)(F)F)s2)cc1	803152449	UWXGICUKJLRSIN-UHFFFAOYSA-N	401.479	4.741	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2c3ccccc3CC23CCOCC3)c1C	813286206	VJWNSVBFXSOYNT-NLZIUFDSSA-N	417.553	4.632	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](c2cccs2)N(C)C)c(C)n1CCC(C)C	863940217	CPBIABIQCHUJLA-OABJIQBASA-N	412.603	4.539	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	866011240	XIHPXTZIOQJIKQ-UHFFFAOYSA-N	415.280	4.507	50	20	HJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)N2CCn3c2nc2ccccc23)cc1	915853331	BFMJECCXXHMHFP-LVZFUZTISA-N	419.488	4.758	50	20	HJGD	
O=C(NN=Cc1cc(Cl)ccc1OC(F)F)c1ccc(Br)s1	915951172	HXHQZARZUWNHGI-UHFFFAOYSA-N	409.639	4.529	50	20	HJGD	
C/C=C/C(=O)Nc1ccc(C2(NC(=O)/C(C#N)=C/c3ccc(F)cc3F)CCC2)cc1	1791214305	MVTNCCWHVQVPAR-FJABQVMRSA-N	421.447	4.582	50	20	HJGD	
CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](F)Cl)n[nH]2)CC1	1818043021	AJGVMXSOYRAJKH-DNUAJFIVSA-N	412.937	4.543	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc(F)cc2)c1	727758992	NPLDUOMZACUJDD-UHFFFAOYSA-N	417.362	4.854	50	20	HJGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	729966314	HVWQKOGSZZJEHJ-FQEVSTJZSA-N	412.461	4.568	50	20	HJGD	
COCC(CC(C)C)=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	730723203	ZKJBNGMYCKVGAX-UHFFFAOYSA-N	410.543	4.634	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)C(c1ccccc1)c1ccccc1	731281121	UBTNLTBECIWNFL-IBGZPJMESA-N	415.537	4.515	50	20	HJGD	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(Cl)c2)cc1	731488365	DYCHQIAXQVIKNO-ZROIWOOFSA-N	420.799	4.664	50	20	HJGD	
Cc1nc(C)c(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)s1	736428570	JEDLOQLHXZJIOL-UHFFFAOYSA-N	421.551	4.692	50	20	HJGD	
C[C@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccc(Br)s1	743295706	AOUSFMHVRKWBMB-VIFPVBQESA-N	410.724	4.959	50	20	HJGD	
C[C@H](C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(F)c1	743300973	NSSXNELDFKTPQH-VIFPVBQESA-N	419.831	4.619	50	20	HJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)cc1	744501967	KOQLDZIDTDPKQC-GVOMZSONSA-N	412.489	4.864	50	20	HJGD	
CC[C@@H](CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1	745311031	RBBKLJVKHYRKHZ-SFHVURJKSA-N	402.498	4.883	50	20	HJGD	
Cc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)o1	752176541	XTOMEWGCCMLUID-UHFFFAOYSA-N	418.428	4.777	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1	752390493	WHFQDEXLPYPRDT-PGLNOLGZSA-N	404.466	4.679	50	20	HJGD	
CCCc1c(C(=O)NNc2nc3ccc(OC)cc3cc2C)cnn1C1CCCC1	752758935	TUVKTKQMQAGRAI-UHFFFAOYSA-N	407.518	4.573	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccccc1OCc1cscn1	754152398	IDMYTCMUCBETCE-UHFFFAOYSA-N	411.380	4.637	50	20	HJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc(-c2cccs2)n(-c2ccccc2)n1	755774766	LRSZEQCHUWDDLQ-UHFFFAOYSA-N	414.412	4.775	50	20	HJGD	
C[C@@H]1c2cc(F)cc(F)c2CCN1CCP(=O)(c1ccccc1)c1ccccc1	758755647	RBUSEPBPMKKTKU-GOSISDBHSA-N	411.432	4.898	50	20	HJGD	
O=C(CCc1cncc2ccccc12)NNC(=O)Nc1ccc(-c2ccccc2)cc1	765337112	LRXNORUVNIGROM-UHFFFAOYSA-N	410.477	4.687	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c3ncc(C)o3)c2C)cc1	770903651	VXEOJLZHVOTLQP-HDZGYNCQSA-N	405.454	4.611	50	20	HJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@@H](CO)Cc1ccccc1	775474419	NTHAFGDOTCRBMS-CZUORRHYSA-N	418.868	4.631	50	20	HJGD	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NNc1ccc(C#N)cc1	775513807	NMSJKGZJTDPMRI-UHFFFAOYSA-N	400.442	4.659	50	20	HJGD	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	775545617	YULPFFJXOCLJHQ-UHFFFAOYSA-N	424.404	4.743	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)cc1OCCCC#N	775638390	CQCQXBIITAJLJH-VBKFSLOCSA-N	412.392	4.769	50	20	HJGD	
COCCCn1ccc(NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n1	787383282	BOTYIWUCIVAUTE-CQSZACIVSA-N	422.860	4.783	50	20	HJGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cccc(F)c1Sc1ccccc1	788568002	UEYNCFVIGAPWEI-UHFFFAOYSA-N	423.498	4.647	50	20	HJGD	
COc1cc(NNC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)ccc1Cl	788671446	KDBCPSOFXGAZST-AWEZNQCLSA-N	409.742	4.557	50	20	HJGD	
CC(C)O[C@H](C=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccccc1	792926933	YXWFCOMXRPXQDE-LLVKDONJSA-N	415.708	4.506	50	20	HJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)[C@@H](CC)c1ccccc1	793483789	UBZUMKUPDZTOHP-HNNXBMFYSA-N	411.889	4.512	50	20	HJGD	
C[C@@H]1CC[C@H](CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1	794261169	SPKHOANAPMMBJS-KWOWTXELSA-N	421.932	4.577	50	20	HJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)c1nc(O)c2c3c(sc2n1)CCCC3	794934214	PIIWGCHNWRMWQK-RIYZIHGNSA-N	405.479	4.655	50	20	HJGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(Sc3ccccc3Cl)cc2)n1	797619095	IRBFQMZPWUUKTA-UHFFFAOYSA-N	412.902	4.661	50	20	HJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c(-c2ccnn2C)c1	801647543	LPKOIHSXDPDZFN-FOWTUZBSSA-N	410.399	4.960	50	20	HJGD	
COc1ccccc1Oc1ccc(NC(=O)NNc2cccc(Cl)n2)cc1F	814620945	NQQZPYNDGMJFIQ-UHFFFAOYSA-N	402.813	4.824	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2ccccc2OC(F)F)c1C	913150037	KXUCMHNNBCUYTJ-GDXCHIGESA-N	418.440	4.564	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c1C	915169413	MQFMKOQEQAMVFH-NHWIOFBMSA-N	421.541	4.566	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCSc3ccccc32)c(C)n1C[C@H]1CCCO1	917513618	OPWCBOKEFRZSRJ-ZFDRCWCZSA-N	421.566	4.544	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)cc2)cc1Cl	921259613	VWDHOVJSGYSGLQ-MDWZMJQESA-N	410.779	4.835	50	20	HJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3cccc(Br)c3)c(C)c2c1	932478777	PWQJUEBVHCKOCT-UHFFFAOYSA-N	415.287	4.782	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)nn1	1116757830	KJAJXOGBCPGIHD-UHFFFAOYSA-N	404.392	4.810	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)C2(c3ccc(C(C)C)cc3)CCC2)cc1	1117959866	KFEQSXNPBLXDOM-UHFFFAOYSA-N	411.571	4.648	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(Nc3ccccc3)CC2)c1C	1338244471	VGSVTHUIVOWZKI-OQKWZONESA-N	404.558	4.915	50	20	HJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3sccc3OC)cc2)CCC1	1789929063	GRBXBYQYIIGVGO-MRXNPFEDSA-N	420.962	4.912	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccccc34)CCC2)cc1	1790489682	IPUNTQAIDLFEME-HXUWFJFHSA-N	423.944	4.862	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccccn3)cc2)CCC1	1791939259	UKAVZZFMZBBCCB-APWZRJJASA-N	413.949	4.727	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1	1825298132	GUQJKDMRHCVPRT-RLFQVEEXSA-N	423.022	4.789	50	20	HJGD	
O=C(C(Cl)Cl)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1	1830355623	JNOHCTYRDHYKTB-QZEKMECESA-N	415.405	4.546	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1	1832474545	VTYXMYKLLFYFJJ-PMACEKPBSA-N	409.014	4.594	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(C(=O)NNc2cccc(Cl)c2)s1	195592948	DQUCTCFFCZIYOY-UHFFFAOYSA-N	421.309	4.569	50	20	HJGD	
CCC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	727184291	DSVJAJNBHMSJBE-CXUHLZMHSA-N	404.388	4.542	50	20	HJGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=C2CCC[C@H]2Cc2ccccc2)c1Cl	735610866	ZYNKNJPLECWIAR-NSHDSACASA-N	411.720	4.753	50	20	HJGD	
CSc1ccc(O[C@H](C)C(=O)NNc2ccc(Br)cc2Cl)cc1	740924710	AVCGQDAROGOOSF-SNVBAGLBSA-N	415.740	4.735	50	20	HJGD	
N#Cc1ccccc1/C=C\C(=O)NNc1c(Cl)cc(Br)cc1Cl	742005324	UDQWCRSZIXJXKZ-WAYWQWQTSA-N	411.086	4.784	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1	742765181	DUYPTAHDXBJNQT-OBGWFSINSA-N	422.481	4.969	50	20	HJGD	
Cc1cc(C)c(NNC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c(C)c1	743764987	VDEPVRDBAXKBKB-UHFFFAOYSA-N	402.420	4.882	50	20	HJGD	
Cc1cc(C=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(C)n1-c1nccs1	744743269	SXDZMARHRNKKEL-KRWDZBQOSA-N	418.522	4.621	50	20	HJGD	
COc1ccc(NNC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)cc1	746887931	YPCHKLMOOKCKLP-FQEVSTJZSA-N	400.450	4.950	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2-n2ccnc2C)c1C	748719808	AAJYNRGICQOIIA-HAHDFKILSA-N	415.541	4.623	50	20	HJGD	
CC(C)Oc1cc(Br)ccc1C(=O)NNc1cccc2cnccc12	748766642	CBAXROBVWCKOJK-UHFFFAOYSA-N	400.276	4.541	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H](C2OCCO2)C1	752976252	FVVKVCBIXPJPRR-LLVKDONJSA-N	402.385	4.961	50	20	HJGD	
CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753621173	FNFVBBPECMBTCQ-LBPRGKRZSA-N	404.426	4.984	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(-c2ccc(Cl)cc2)cc1F	755194987	VWLBKIZZEUIEDK-UHFFFAOYSA-N	410.758	4.712	50	20	HJGD	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)NNC(=O)c2cccc3ccccc23)c1	757799476	WIQYDLVJKLKHAO-UHFFFAOYSA-N	424.888	4.698	50	20	HJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1Oc1ccccc1)OCO2	758817392	ZCTHEZYZYUGEMN-BOPFTXTBSA-N	414.417	4.762	50	20	HJGD	
CCC(CC)(CC)CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	759264318	KEUUMLCSNCKBNP-HKWRFOASSA-N	403.530	4.703	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)s1	761035766	YUDWGRWYULSQNC-UHFFFAOYSA-N	424.198	4.503	50	20	HJGD	
COCCN1CCC(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762978655	BQWAATFSHCWNGN-UHFFFAOYSA-N	403.417	4.576	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1nn(-c2ccccc2F)c2c1CCC2	767407646	WHIYVGRRQFLNQU-UHFFFAOYSA-N	423.250	4.703	50	20	HJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc(C[S@@](=O)c2ccccc2)c1	770031368	YFWWHYUDQJELFR-GDLZYMKVSA-N	422.535	4.753	50	20	HJGD	
COc1ccc(-c2ccncc2)cc1C=NNC(=O)c1ccc(Cl)cc1Cl	774340182	DADKBKZBQFNYFR-UHFFFAOYSA-N	400.265	4.828	50	20	HJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1	774890945	FXMXXELJJHFAPF-SXGWCWSVSA-N	403.438	4.919	50	20	HJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=Cc3scnc3C3CC3)cc2)cc1	782127499	NHIIMFJDAKINSN-UHFFFAOYSA-N	421.522	4.762	50	20	HJGD	
Cc1cc(Br)cn2c(/C=C(/C#N)c3nc(-c4ccncc4)cs3)cnc12	783708255	PADCGMVDTSSZOJ-AUWJEWJLSA-N	422.311	4.988	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2F)C2CC2)c1C	790276482	RXDJVMXQNPEDOM-CTPANLQCSA-N	409.505	4.550	50	20	HJGD	
Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)[C@@H]2CCCOC2)c1	794880435	UESBDEVXVKBZJR-ZZAWEDPDSA-N	411.505	4.810	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	798311348	PFYDOZXZBUBWSU-CVEARBPZSA-N	406.511	4.507	50	20	HJGD	
COc1cc(NNC(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)ccc1Cl	801942715	GKXMSGWLTNNQDF-UHFFFAOYSA-N	415.881	4.594	50	20	HJGD	
Cc1cccn(Cc2c(F)cccc2NC(=O)CCCC[C@@H]2CCSS2)c1=O	807744692	HGHYXFKJOCPPJZ-MRXNPFEDSA-N	420.575	4.997	50	20	HJGD	
N#C/C(=C\c1csc2ccccc12)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	810203676	CLJMDJXJRKWDED-RVDMUPIBSA-N	423.925	4.937	50	20	HJGD	
C[C@@H]1CC(=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC[C@H]1C(=O)O	814714150	SXHQKXQBONTZHK-RDTXWAMCSA-N	419.456	4.648	50	20	HJGD	
Cc1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1C	855278836	XTRRBVMFAREEEO-YOYPMJMESA-N	421.541	4.855	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c(C)n1CC(C)C	881444461	MQUKNHMSGAPDON-BKUYFWCQSA-N	420.557	4.835	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1	899996835	VHZBHNRZGWNITK-VKAVYKQESA-N	418.474	4.912	50	20	HJGD	
O=C(NN=C(c1ccccc1)c1ccccc1)c1cccc(NC(=O)c2cccnc2)c1	914837251	SNAKZJIBOVWZQG-UHFFFAOYSA-N	420.472	4.516	50	20	HJGD	
Cc1cc(C(=O)NN=Cc2cn(CCC#N)c3ccccc23)c(C)n1-c1ccccc1	915906512	QZRGQJWWDWLZAL-UHFFFAOYSA-N	409.493	4.726	50	20	HJGD	
O=C(CCc1ccc(Cl)s1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	916145410	LBWLGKGQGQHUCG-UHFFFAOYSA-N	408.907	4.663	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cc(Br)cs2)c1C	916439619	VXTOKAPRLICRCI-VIZOYTHASA-N	406.349	4.562	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCC(C)(C)c2ccccc2)c1C	919935876	QXYAKWUDBMEEDP-MLPWYGTASA-N	407.558	4.703	50	20	HJGD	
O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)NN(Cc1ccccc1)c1ccccc1	920048727	ORZVCBKCZUQLCU-OAQYLSRUSA-N	418.516	4.573	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cc3ccccc3s2)c(C)n1C[C@@H]1CCCO1	920473693	VNXOCRKAICGOLJ-IQKNENRKSA-N	419.550	4.722	50	20	HJGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)CCC(F)(F)F)c2C)cc1	1115889939	ADQNBIXNHNUHAD-QGOAFFKASA-N	419.447	4.811	50	20	HJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNC(=O)c3ccccc3Cl)oc2c1	1317957522	OGZVZVVASIYNMX-UHFFFAOYSA-N	420.852	4.837	50	20	HJGD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Cl)CCC3)cc2)cc1Cl	1785945101	AXAKYCZLMRHBNS-KRWDZBQOSA-N	409.288	4.931	50	20	HJGD	
COc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)Cl)CCC3)cc2)c(C)c1	1790346452	UPQQLPPDGZTUMD-UHFFFAOYSA-N	421.324	4.555	50	20	HJGD	
C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)Br)CCC3)cc2)CC=CCC1	1791992990	ZAIODOKZVIRVFU-QFBILLFUSA-N	423.326	4.557	50	20	HJGD	
C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1)c1ccccc1	1832888945	HDLBCNPBVQVTRD-GHTZIAJQSA-N	419.009	4.675	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC#N)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	210670429	CJORMECKAJQPRI-ZSOIEALJSA-N	407.779	4.740	50	20	HJGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(Cl)c1O	727651296	RYHXROPDFZSOES-UHFFFAOYSA-N	420.321	4.905	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cc(C#N)n1C	728025769	LNJFCELGWBXYPV-RSZPVBOMSA-N	409.493	4.924	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc1	731017479	UMHCWHBJHTWARM-YDRQLGOLSA-N	417.278	4.771	50	20	HJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OC(F)F)c(Cl)c1	731486288	HWDDDMCQGFHKBQ-UHFFFAOYSA-N	421.856	4.758	50	20	HJGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(Nc2ccccc2)c1	735647477	PAXQKTPAIPLCJK-UHFFFAOYSA-N	400.265	4.812	50	20	HJGD	
N#C/C(=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1	743058825	LXKARSOWTSWZOK-XZGNNNQISA-N	400.837	4.583	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccc(Cl)nc2)cc1C	743819753	ZILCUYNFLFUINU-UHFFFAOYSA-N	417.900	4.961	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cc(-c2ccccc2)ns1	746305084	WBSURNPFKRDFMV-UHFFFAOYSA-N	410.243	4.608	50	20	HJGD	
N#Cc1ccccc1OCc1cccc(C(=O)NNc2ccccc2Br)c1	748058404	LEJZCUXXPFDLLW-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
CN(c1ccccc1)c1ccc(C(=O)NNc2ccc(Br)cc2F)cn1	748215003	QWOHXMSYCAAXJD-UHFFFAOYSA-N	415.266	4.508	50	20	HJGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNc2ccc(OCC(F)(F)F)cc2)c1	748694895	GRQPFFBGBIZVOZ-LBPRGKRZSA-N	402.800	4.500	50	20	HJGD	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748702889	BSLHQFVZOOTVPI-GFCCVEGCSA-N	420.353	4.968	50	20	HJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2ccc(Br)cc2C)s1	748737056	OQZDBENEGXMAPH-UHFFFAOYSA-N	402.317	4.946	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(Cl)cc2)nnn1-c1ccc(-c2ccccc2)cc1	749274483	QUHHMMKAOFOZLS-UHFFFAOYSA-N	403.873	4.653	50	20	HJGD	
O=C(CCc1ccccc1)NN=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	749743763	AWJKXOLIMVPMAS-UHFFFAOYSA-N	407.401	4.609	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)cc(Cl)c1OCC(C)C	753306096	DKJHSZZAXAMMQN-UHFFFAOYSA-N	408.285	4.665	50	20	HJGD	
CCSc1cccc(NC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1	756576346	NFBGPCOXHWCIKR-UHFFFAOYSA-N	412.540	4.697	50	20	HJGD	
CCc1c(C(=O)NNc2ccc(Br)cc2)cnn1-c1ccc(Cl)cc1	771422824	XTONTGOLYQPTCO-UHFFFAOYSA-N	419.710	4.608	50	20	HJGD	
CC(C)Cc1nnc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)o1	775110590	GGEIQELDUBHORA-UHFFFAOYSA-N	407.386	4.726	50	20	HJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	775546219	HYFVRARBNIYIGB-UHFFFAOYSA-N	405.241	4.987	50	20	HJGD	
COc1cccc(NNC(=O)c2sc3cccc(F)c3c2COc2ccccc2)n1	780771878	GPDYEZNTSAGYLT-UHFFFAOYSA-N	423.469	4.780	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)c1ccc(-c2cccc(C#N)c2)cc1	782523741	KQIODYPSPZSXPX-MRXNPFEDSA-N	424.460	4.677	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCOC[C@H]1c1ccco1	782984119	YBZNRNUKGNHRBI-ZDUSSCGKSA-N	419.393	4.699	50	20	HJGD	
C[C@H](O)[C@H]1C[C@H](C)CCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	785533005	JVBAPZGPGMIDHH-UHIISALHSA-N	409.442	4.514	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(/C#N)C(=O)NCc1cccc(Cl)c1	786044533	MYEMFTUACKHUDZ-BOPFTXTBSA-N	408.864	4.505	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1	786991928	AASNSDZKQMPITM-ATVHPVEESA-N	407.445	4.596	50	20	HJGD	
COc1cccc([C@H](C)CCCC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1	788746708	UYUAAFOVJBAYBZ-CYBMUJFWSA-N	409.313	4.737	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1C	790368502	JGAZOAHUFHUAPK-NDENLUEZSA-N	420.538	4.729	50	20	HJGD	
N#C/C(=C/c1c(F)ccc(I)c1F)c1nc2ccccc2[nH]1	794865099	IFYWOIZXJSIZSF-CLFYSBASSA-N	407.161	4.510	50	20	HJGD	
O=C(NNc1c(Br)cccc1Br)c1cc(F)ccc1Cl	816590711	JMQNZQAAQWUMGC-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2OC(F)F)c1C	914506669	CPLRPKGRGOQEEQ-GYZOOYGHSA-N	401.457	4.901	50	20	HJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(\C#N)c1nc(-c2ccccc2)no1	915986207	ZVRFPMHBGRIPEZ-MHWRWJLKSA-N	403.392	4.882	50	20	HJGD	
CCCc1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2C)c2cccs2)cc1	916194729	BPKGTPWZLGJDBL-OAQYLSRUSA-N	407.539	4.743	50	20	HJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1csc(Cc2ccc(Cl)cc2)n1	1332052630	HRPDKDOQONXVCQ-UHFFFAOYSA-N	418.853	4.620	50	20	HJGD	
C[C@@H](C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1)c1ccccn1	1786013422	JXXWLWHETYLECY-MRXNPFEDSA-N	413.949	4.584	50	20	HJGD	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)CBr)cc2)CCC1	1786071054	YQEGYSJEWRPOFY-INIZCTEOSA-N	421.379	4.898	50	20	HJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3S)CCC2)cc1	1786443531	YJOLCKTXQAZWDO-QGZVFWFLSA-N	417.962	4.526	50	20	HJGD	
CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Br)cc3)CCC2)CC1	1791434988	ZAXFTGSIFFFNEA-CVEARBPZSA-N	419.363	4.650	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)c1C	24001440	NMKKIDRGNHZIHP-IOVUBPJKSA-N	407.514	4.609	50	20	HJGD	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1Br	44028552	NYALFYBZKVJMPI-YRNVUSSQSA-N	406.623	4.556	50	20	HJGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	727785059	BHFWKTHJGZZMOC-MSOLQXFVSA-N	413.304	4.640	50	20	HJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc([S@](C)=O)c2)c1C	732122357	CGKPDCJRVBIGFW-NQDPKESOSA-N	417.534	4.686	50	20	HJGD	
Cc1cc(NNC(=O)CCc2ncc(-c3ccccc3F)o2)ccc1Br	734253847	GZJUZXGZJMBGLS-UHFFFAOYSA-N	418.266	4.628	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2nc3ccccc3n2C)c1C	736218196	IOESRCNJOJSMDK-LCJWNIEWSA-N	403.530	4.576	50	20	HJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1F	739423944	GGPJQOXFTXIONJ-RVDMUPIBSA-N	416.294	4.980	50	20	HJGD	
Cc1cc(C)c(NC(=S)NNC(=O)Nc2ccc(OC(F)F)cc2)c(Cl)c1	741868699	YYOQMHKAXYTBAC-UHFFFAOYSA-N	414.865	4.581	50	20	HJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc(Cl)nc3)c2C2CC2)cc1Cl	743819084	ZWYUHVCQITZBTG-UHFFFAOYSA-N	402.285	4.517	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1	744569784	IXNAFXDBWMNZPL-LZNAANCOSA-N	421.428	4.794	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)CSc1nccc2ccccc12	748749245	XUMADKAXWQOPLG-UHFFFAOYSA-N	402.317	4.541	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccc(Oc2ccccc2)c(F)c1	749928626	YFUUBMUTQVRMMC-QGZVFWFLSA-N	421.472	4.642	50	20	HJGD	
O=C(CCc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(Cl)cc1Cl	750715593	GDGRTXCXGHTLOQ-UHFFFAOYSA-N	406.096	4.694	50	20	HJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2cccnc2Cl)c(C)c1	754480364	NOWACVQDBSRXHW-UHFFFAOYSA-N	417.900	4.961	50	20	HJGD	
CC(=O)c1ccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1C	757780380	HEHSTGAYGAZDOP-UHFFFAOYSA-N	401.875	4.532	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(CN3CCCC3)ccc2C)c1C	769754852	DEBLSDWJUFFUPX-HZHRSRAPSA-N	404.558	4.965	50	20	HJGD	
O=C(CC1CCCCC1)NC1CCC(C(=O)NNc2c(F)cccc2Cl)CC1	770196810	BHLPRSWHUBHAOC-UHFFFAOYSA-N	409.933	4.568	50	20	HJGD	
CCOc1ccccc1Oc1ccc(CNC(=O)NNc2c(C)cccc2F)cn1	771303050	VIVRZVPBDPTDKA-UHFFFAOYSA-N	410.449	4.546	50	20	HJGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1c(F)cc(F)cc1Br	773398336	YXPVNUXHXMNIKM-UHFFFAOYSA-N	413.262	4.799	50	20	HJGD	
O=C(NNc1ccccc1Cl)c1cc(Br)ccc1Br	773458485	IGRSYWPPYBCYJD-UHFFFAOYSA-N	404.489	4.622	50	20	HJGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNc1ncc(Cl)cc1Cl	775273418	WRFIEKDPAVBXFU-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2noc(C3CC3)n2)c1	775670924	YFZPBURPPZQSQZ-UHFFFAOYSA-N	403.364	4.781	50	20	HJGD	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ncc(Cl)cc2Cl)c1	775696119	SXAKUAUCPNOUJM-UHFFFAOYSA-N	416.696	4.929	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1	782506144	MOQGZHPPXQHACT-UHFFFAOYSA-N	406.933	4.901	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(-c3nccs3)c2)c1C	790872151	LMZWUXVBOPXYJC-YODDIOPGSA-N	421.522	4.948	50	20	HJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1Br	802706713	XIRYOIPFBNRQIY-NTEUORMPSA-N	424.258	4.619	50	20	HJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2cccc([N+](=O)[O-])c2)cs1	810679093	KBKOJXZROWQSEB-UHFFFAOYSA-N	414.462	4.587	50	20	HJGD	
O=C(NN=Cc1c[nH]nc1-c1ccc(F)cc1)c1ccc(-c2ccc(F)cc2)s1	812447614	RZPHHDDLVWPRQC-UHFFFAOYSA-N	408.433	4.847	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C	813048292	RSGVIEBOIMYHCO-UHFFFAOYSA-N	419.529	4.509	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](c2ccccc2)C2CC2)c1C	817088670	GRYVCTBAWJQYPS-NNVJWPDASA-N	405.542	4.529	50	20	HJGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3ccccc3OCc3ccccn3)cc2C1	819841052	OKBUJDRPPLZUKN-MRXNPFEDSA-N	405.523	4.611	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccnc(Oc3ccccc3)c2)c1C	915628453	LYMTUITYDCQRBU-JCMHNJIXSA-N	414.509	4.926	50	20	HJGD	
CCOc1ccc(NC(=S)NNC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)cc1	919744060	MMMPKZJRHKLBOB-UHFFFAOYSA-N	423.325	4.505	50	20	HJGD	
C[C@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(F)cc1F	1257792628	VIUDNLJUMGNONG-NSHDSACASA-N	422.357	4.687	50	20	HJGD	
O=C(NN=Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1Cl	1317675338	YNDMOTFYJDSCRP-UHFFFAOYSA-N	420.719	4.990	50	20	HJGD	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1-c1ccccc1	1322180975	FBTYOMJVQDEHTO-UHFFFAOYSA-N	415.276	4.744	50	20	HJGD	
CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)CCBr)cc3)CCC2)CC1	1787673299	UVPFXNXCANOYMB-INIZCTEOSA-N	419.363	4.652	50	20	HJGD	
Cc1ccsc1C(=O)NC1(c2ccc(NC(=O)CO[Si](C)(C)C)cc2)CCC1	1789648554	PMARQSXLPUZONK-UHFFFAOYSA-N	416.619	4.656	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccs2)n[nH]1	1817494901	OMMOYZIOUYXONX-AMMZPXFLSA-N	420.966	4.584	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(F)c2)n[nH]1	1820495513	KIZABVVCGDZLQT-CRAIPNDOSA-N	420.916	4.571	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1	1820852225	AJGUZJFNLHKISJ-QUCCMNQESA-N	424.932	4.886	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C)CC1	1824611113	XAXKGSFCAQDQCN-NHCUHLMSSA-N	422.972	4.775	50	20	HJGD	
CCCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](Cl)CC)CC2)cc1	1830310296	RJNLLWZECUFPDS-FCHUYYIVSA-N	419.009	4.890	50	20	HJGD	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)c2cccc(OC)c2)cc1OC	5127808	CJEAPZRGNVKXHV-OVCLIPMQSA-N	416.271	4.655	50	20	HJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Cl	16411262	CLEXSYHSEUHMOS-WUXMJOGZSA-N	406.225	4.764	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2oc3ccccc3c2C)c1C	23951457	PTIAIXMIIBWCNI-XDHOZWIPSA-N	404.466	4.903	50	20	HJGD	
O=S(=O)(Nc1ccccc1NCC(F)(F)F)c1ccc(CCCCl)cc1	110209394	JWMXYXPBYFOICZ-UHFFFAOYSA-N	406.857	4.633	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)NCCCc1nc(-c2ccncc2)cs1	110959205	UORDXHSRUVJYTP-MRXNPFEDSA-N	407.630	4.968	50	20	HJGD	
C=CCCC(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	726496709	GZCPVDQFFWJIMM-UHFFFAOYSA-N	400.478	4.660	50	20	HJGD	
COc1ccc(NC(=S)NNC(=O)c2ccc(C3CCCCC3)cc2)cc1F	727499619	MZKPWVCOGZSWOG-UHFFFAOYSA-N	401.507	4.513	50	20	HJGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@H](C)c2ccc(SC(C)C)cc2)cc1	729054391	UKOXSSQZYYCRSE-MRXNPFEDSA-N	417.600	4.679	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@H]2CCCOC2)c(C)n1-c1cccc(Cl)c1	730793685	UQKHIOQOXAIPAO-JLWFYQMASA-N	411.933	4.540	50	20	HJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1	733776546	LIUNWYRLKDFAQW-QNGOZBTKSA-N	422.488	4.852	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc2ccc(SC(F)F)cc2s1	733908986	PYEDOGRODBDLNM-UHFFFAOYSA-N	416.906	4.915	50	20	HJGD	
Cc1cc(C(=O)NNc2nccc3sccc23)c2ccc(Br)cc2n1	734250552	XRUWWYXFLDQTRQ-UHFFFAOYSA-N	413.300	4.672	50	20	HJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3ccn(C(C)C)n3)c2C)cc1	735123077	DMSGIBSTBBCYSG-MOSHPQCFSA-N	418.497	4.531	50	20	HJGD	
N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3ccc(CCCl)cc3)c2)s1	739977645	SPUCHDJHDNGOSR-UHFFFAOYSA-N	416.955	4.547	50	20	HJGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3OC)cc2)o1	741460513	QEHPUKDNQHFJKA-UHFFFAOYSA-N	405.498	4.561	50	20	HJGD	
CC(C)c1nc(C#N)c(NNC(=O)COc2ccc(-c3ccccc3)cc2Cl)o1	746338945	BLMRPRHQUNXRQA-UHFFFAOYSA-N	410.861	4.512	50	20	HJGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1ccc(Br)cc1F	748189655	OSZUGPYKCHXWNZ-UHFFFAOYSA-N	402.267	4.659	50	20	HJGD	
Cc1nc(Cl)cc(NNC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)n1	748333470	FLXMGKCCLZDPTH-UHFFFAOYSA-N	414.705	4.626	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(N2CCOCC2)c(F)c1	748672379	GDQGXPLGLZVMJG-UHFFFAOYSA-N	413.518	4.613	50	20	HJGD	
Cc1c(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cnn1-c1ccc(Cl)cc1	748694434	NAFQRMHXCMFITR-UHFFFAOYSA-N	424.810	4.532	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	748811004	MDKCDDAWYHFECU-STQMWFEESA-N	403.429	4.907	50	20	HJGD	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)CCc1ccccc1	754706876	SWHPVBCMGSVCRW-UHFFFAOYSA-N	408.933	4.791	50	20	HJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	755406281	AJRBLBVOAHLPAC-LFYBBSHMSA-N	415.833	4.559	50	20	HJGD	
CC(C)(C)C(=O)Cn1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)nn1	762522382	XYDNMIMPOMPUOU-UHFFFAOYSA-N	412.384	4.803	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(-c3ncco3)c2)c1C	766054026	SWQUSNYYBSVYCA-PBGVMVHZSA-N	418.497	4.821	50	20	HJGD	
CCc1c(C(=O)NNc2c(Cl)cccc2Cl)cnn1-c1ccccc1OC	769609484	UXDRVCCAYGZBKJ-UHFFFAOYSA-N	405.285	4.507	50	20	HJGD	
CCOCCOc1ccc(Cl)cc1NC(=O)NNc1ncc(Cl)cc1Cl	775599404	IWMDJDYJMXKUQL-UHFFFAOYSA-N	419.696	4.606	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1	780806464	RVXKVAKFMGEOPP-UHFFFAOYSA-N	416.934	4.923	50	20	HJGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c2cccnc2O1	782934449	ROSKNYLLAHEHBJ-SNVBAGLBSA-N	416.393	4.715	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(CCCO)CC1	782984058	OHAOSNMOWXYFIX-UHFFFAOYSA-N	409.442	4.517	50	20	HJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@H](C2CCOCC2)C1	782986269	FCQDELWEIOIVLU-ZDUSSCGKSA-N	421.453	4.781	50	20	HJGD	
Cc1cc(C(=O)COC(=O)CCCC[C@@H]2CCSS2)c(C)n1-c1nccs1	786595844	PHTRZWYCOMUUOR-OAHLLOKOSA-N	424.613	4.991	50	20	HJGD	
COc1cc(NNC(=O)Nc2nc(SCc3ccccc3)ns2)ccc1Cl	788637117	XAMSYJJESPEUDL-UHFFFAOYSA-N	421.935	4.641	50	20	HJGD	
O=C(Cn1ccc2ccccc21)NN=Cc1ccc(Br)cc1C(F)(F)F	794506934	BCUSRCDPJAPJIS-UHFFFAOYSA-N	424.220	4.573	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	799086668	DVFGUPLGPHJHBB-HDJSIYSDSA-N	400.737	4.722	50	20	HJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799707215	ONQVTRIHMNGHAI-UHFFFAOYSA-N	419.384	4.920	50	20	HJGD	
CN(C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1C[C@@H]2CC[C@H](C1)N2C	806183290	CLNMTLWPWPUROQ-GYVWXKFASA-N	421.916	4.995	50	20	HJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(-c3ccccc3)no2)c1C	808438390	DPYRLUVHWIBYLB-BYINCCNUSA-N	419.481	4.618	50	20	HJGD	
Cc1cc(NC(=O)NNc2ccc(Br)c(F)c2)nn1C1CCCCC1	810300052	WHNRDXSPCMTFSB-UHFFFAOYSA-N	410.291	4.747	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3nc(O)oc23)c(C)n1-c1ccc(F)cc1	811598059	QYBASJNUIVGODP-LFIBNONCSA-N	416.412	4.626	50	20	HJGD	
Cc1nc(-c2cccc(NC(=O)C(=O)NNc3c(C)cccc3C(C)C)c2)cs1	813047274	TZDRTTFNNUBWOT-UHFFFAOYSA-N	408.527	4.632	50	20	HJGD	
COCCn1nc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1C	813474012	MCTPRPVKXYWFMT-KGENOOAVSA-N	423.561	4.616	50	20	HJGD	
O=C(COc1ccccc1F)NN=Cc1sc(Sc2ccccc2)nc1Cl	814722713	MJDHGZLCSHYRJV-UHFFFAOYSA-N	421.906	4.616	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	817007160	OREXRTIOUBYDNI-UHFFFAOYSA-N	424.291	4.998	50	20	HJGD	
CCOc1ccc(NNC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)cc1	817908417	HIMRWBWWIPCYLK-UHFFFAOYSA-N	417.481	4.908	50	20	HJGD	
Cn1nccc1C(=O)Nc1ccc(Br)cc1CO[Si](C)(C)C(C)(C)C	821634346	CJTMBMGCMLCXAI-UHFFFAOYSA-N	424.415	4.957	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cn2)c1C	843078162	NDHLZQBNCKPGEW-MHWRWJLKSA-N	401.308	4.608	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(Br)c2)c1C	914475075	XVECGAOXGDRXDW-WQRHYEAKSA-N	400.320	4.501	50	20	HJGD	
CC(C)c1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1	914483483	ZCUXXEDWRPMTDA-HZHRSRAPSA-N	423.520	4.811	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2cc(F)ccc2F)c1C	918817698	IQAKHHANIGGTMJ-UVSBIQGWSA-N	402.441	4.802	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cscn2)c(C)n1-c1cccc(Cl)c1	920280328	MGPRHVIOYOLHDG-IUXPMGMMSA-N	410.930	4.770	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(OC(C)(C)C)cc2)c1C	920474462	DVMFTIVCIQTFJX-FPJJECCMSA-N	423.557	4.713	50	20	HJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	920930565	QBKDXVBNNRDRGR-UHFFFAOYSA-N	417.318	4.602	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)nn1	1116096333	JRVQAXPFEUCERV-UHFFFAOYSA-N	422.341	4.961	50	20	HJGD	
O=C(NNc1ccccc1Br)c1cc2c(OC(F)(F)F)cccc2[nH]1	1253411017	BOWUQURQEXMXMB-UHFFFAOYSA-N	414.181	4.586	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H]2CCSc3ccccc32)c1C	1344597016	RKNMKFJMMWBIFW-HPUFKIGUSA-N	410.539	5.000	50	20	HJGD	
CCc1cnc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)CCl)cc3)CCC2)s1	1786012385	BHEZKLYISGPUQS-UHFFFAOYSA-N	419.978	4.718	50	20	HJGD	
CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@](C)(Cl)CCl)CC1	1830257245	KZSKSUMQAZCFHP-WIYYLYMNSA-N	417.421	4.589	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1	1830309907	MECOSBMRPVTTLW-YADHBBJMSA-N	416.993	4.815	50	20	HJGD	
CC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1	1830312078	FWUVZDPOFIFBOD-BVYCBKJFSA-N	419.009	4.817	50	20	HJGD	
O=C(CCCCCCCCCCCl)N1CC2(CCCN2C(=O)c2ccccn2)C1	1842387104	BVFGAVBZECTRRF-UHFFFAOYSA-N	419.997	4.648	50	20	HJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(Cl)c1OC	16388612	GKDUTWCZBHSFMN-KPKJPENVSA-N	410.779	4.922	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1C	210454250	VHQUUYFKRAZQAY-UWCCDQBKSA-N	413.905	4.646	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)ccc1O	212103722	RMHCFRPFQKDAPY-MFOYZWKCSA-N	419.506	4.995	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)cc(C#N)n1C	725742565	CFACKEWTDCKOQI-UOBPLZBXSA-N	410.477	4.782	50	20	HJGD	
COc1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)ccc1O	725883783	PVCXLBRNNCAEEN-MOSHPQCFSA-N	407.514	4.548	50	20	HJGD	
O=C(NN=Cc1csc(-c2cccs2)n1)c1ccc(F)cc1Br	728429657	LIKZUKBWYAXTDT-UHFFFAOYSA-N	410.293	4.537	50	20	HJGD	
C#CCOc1cccc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)c1	730702086	XMCPWTGTJONJPP-NOJOUEKMSA-N	420.509	4.536	50	20	HJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)OC[C@@H]2CCc3ccccc32)c(-c2ccccc2)n1	730927079	QLCNVMLVJTVJPQ-FNNTWHHHSA-N	422.488	4.644	50	20	HJGD	
CC(C)(C(=O)NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccccc1	731174032	CSTYKSFCYOAIDP-UHFFFAOYSA-N	407.322	4.947	50	20	HJGD	
O=C(NNc1cnnc2ccccc12)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	733810665	UHHVPLJVGFSOJO-NRFANRHFSA-N	422.460	4.885	50	20	HJGD	
C[C@@H](Sc1ccc(Br)cc1)C(=O)NNc1nccc2sccc12	734247140	VSNOYKZXDRQPNO-SNVBAGLBSA-N	408.346	4.683	50	20	HJGD	
CCOc1c(Cl)cc(C(=O)NNc2ccc(Br)c(C)c2)cc1OC	734253046	PZQMZLQXMYBMDD-UHFFFAOYSA-N	413.699	4.575	50	20	HJGD	
CCCCOc1ccc(C(=O)NNc2ccc(Br)c(C)c2)cc1OC	734254076	OTUGOQUDRAXEDA-UHFFFAOYSA-N	407.308	4.702	50	20	HJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)c2nc(N)nc(Nc3ccccc3)n2)o1	734484542	YNAMWNXKVSNJPJ-QINSGFPZSA-N	412.428	4.969	50	20	HJGD	
CCOc1ccccc1OCCCC(=O)Oc1ccc([N+](=O)[O-])cc1Br	739311269	KHUYAYZJMXWQDO-UHFFFAOYSA-N	424.247	4.521	50	20	HJGD	
O=C(NCc1cccc(COCc2ccccc2)c1)NNc1cc(F)c(F)c(F)c1	746749761	GAFSCIVGJXMSRJ-UHFFFAOYSA-N	415.415	4.647	50	20	HJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1cccc2cccnc12	747362370	ZHTFOOWSXMUCQT-UHFFFAOYSA-N	424.291	4.800	50	20	HJGD	
O=C(CCCc1ccc(Br)s1)NNc1ccccc1Br	748058401	KUHOPEZXLLAMCG-UHFFFAOYSA-N	418.154	4.739	50	20	HJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F	748584923	WNQROQJVOMCXEB-LCYFTJDESA-N	405.332	4.558	50	20	HJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ccc(Br)cc2Cl)c1C	748775654	CFIIAXNYNDKLNG-UHFFFAOYSA-N	419.710	4.662	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	756169966	PQAKPMXHBRPYHQ-UHFFFAOYSA-N	411.047	4.521	50	20	HJGD	
CCCCn1ccnc1-c1cccc(NC(=O)NNC(=O)CCCc2ccccc2)c1	757703240	MVNXBDNJTYEJAW-UHFFFAOYSA-N	419.529	4.526	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)NC1CCN(c2cccnn2)CC1	760112741	QBWSIXYVLXPREV-UHFFFAOYSA-N	423.411	4.925	50	20	HJGD	
O=C(NCc1nnc2n1CCCCC2)Nc1cccc(S(F)(F)(F)(F)F)c1	762976661	WFEXJJRUQGINFV-UHFFFAOYSA-N	411.400	4.984	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ncccc2C(F)(F)F)c(C)n1CC(F)(F)F	765502215	PVRNGQCVTATXES-KPKJPENVSA-N	401.310	4.871	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCSC[C@@H]2c2nccs2)c1C	770184986	YZZFNNJYAOMEEP-XLXASQRYSA-N	414.600	4.585	50	20	HJGD	
CSc1cc(/C(C#N)=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)ncn1	773172904	PRCAGXLBEUHKLD-VXLYETTFSA-N	410.506	4.569	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N(C[C@H]1CCOC1)C1CC1	777881160	XGHYJHLKEPHGBE-LLVKDONJSA-N	407.426	4.534	50	20	HJGD	
COc1ccc(O)c(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777968091	RSYDTGBQMMNPIU-UHFFFAOYSA-N	419.393	4.537	50	20	HJGD	
O=C(O)c1csc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	781660885	RCQBBBBZVWHBPN-UHFFFAOYSA-N	409.379	4.905	50	20	HJGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)cc1	783034744	GZGSZQXWIRCDIN-INIZCTEOSA-N	421.522	4.630	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1	785180053	ZAUODRRUTJHHMK-UHFFFAOYSA-N	419.790	4.506	50	20	HJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1csc(-c2ccc(OC)cc2)n1)c1ccccc1	787145443	RBSGYDKCGHTUPV-DOIQENQNSA-N	403.507	4.993	50	20	HJGD	
N#CCCCN1C(=O)CCc2cc(NC(=O)CCCC[C@H]3CCSS3)ccc21	787352657	NYTSSSDPYGWEND-SFHVURJKSA-N	417.600	4.922	50	20	HJGD	
COc1cc(NNC(=O)Nc2cc(F)c(Br)c(F)c2)ccc1Cl	788661242	PKAXNECFGHWVKI-UHFFFAOYSA-N	406.614	4.538	50	20	HJGD	
O=C(NCc1cccc(NC(=O)C2CCC2)c1)NNc1cc(Cl)cc(Cl)c1	790136992	AFJIGNZQHPHMGW-UHFFFAOYSA-N	407.301	4.558	50	20	HJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1c[nH]nc1-c1cccc(OC(F)F)c1	791718882	DHQHRVSWKCDQTB-UHFFFAOYSA-N	413.211	4.742	50	20	HJGD	
CN(Cc1ccccc1)C1CCC(=NNC(=O)c2cc3ccccc3cc2O)CC1	797784675	FJHPXBVVLOQGQD-UHFFFAOYSA-N	401.510	4.706	50	20	HJGD	
Cc1ccccc1NC(=O)NNC(=O)c1sc(-c2ccc(Cl)s2)nc1C	798312059	RJKJCOJXQMHCNV-UHFFFAOYSA-N	406.920	4.608	50	20	HJGD	
C[C@H](Oc1ccccc1NS(=O)(=O)c1ccc(CCCl)cc1)C(F)(F)F	808122283	PKXZSFLCUUDUOW-LBPRGKRZSA-N	407.841	4.598	50	20	HJGD	
Cc1ccc(C(=O)N(C)C)cc1OC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	916065400	JGDFSNNRZGOQJF-XKZIYDEJSA-N	421.541	4.674	50	20	HJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1	916340336	HDQVBXNCURBALF-UHFFFAOYSA-N	419.488	4.713	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl	916632950	FAXMEVXOLPCMLM-SDQBBNPISA-N	409.656	4.736	50	20	HJGD	
CCCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	917368823	IZKYQGQHIPYHAI-JCHYSQADSA-N	419.569	4.938	50	20	HJGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC[C@@H]1c1nc2ccccc2s1	917851192	JJVSNXIOIHCYCK-QGZVFWFLSA-N	406.960	4.603	50	20	HJGD	
Cc1ccc(OCc2nc(C=NNC(=O)c3cc(C)nc4ccccc34)cs2)cc1	920362964	NOSHGRMLLCMESI-UHFFFAOYSA-N	416.506	4.651	50	20	HJGD	
COc1ccccc1OCc1nnc(/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)o1	1261426700	ZRZQROJXJIBWDK-ODLFYWEKSA-N	406.486	4.796	50	20	HJGD	
O=C(NNC(=O)c1cnn(C2CCCCC2)c1)Nc1ccc(-c2ccccc2)cc1	1321449498	QWQPEJQUIKWOSC-UHFFFAOYSA-N	403.486	4.522	50	20	HJGD	
O=C(NCc1ccccc1Sc1ccccc1)NNC(=O)c1ccccc1Cl	1322566707	PKJCGQKLXNQAAG-UHFFFAOYSA-N	411.914	4.635	50	20	HJGD	
CC(C)[C@@]1(CO)CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	1324540750	RPSCQEBEXFUFCV-ZBFHGGJFSA-N	410.889	4.778	50	20	HJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3coc(C(C)C)n3)cc2)CCC1	1787025363	YOKVRQRSLMFXGS-KRWDZBQOSA-N	417.937	4.953	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CCC1	1788906585	ZBDRQWLMBFGQLS-HXUWFJFHSA-N	421.928	5.000	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCC=C3F)cc2)CCC1	1792379175	GRJJMMZMVPXSAR-IERDGZPVSA-N	410.892	4.884	50	20	HJGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)sc1Cl	1798981512	LCWQRABPNCRXAR-NOHGZBONSA-N	423.793	4.714	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(C)cc2s1	1801082301	YYYYFAWYEQPIKK-XMTFNYHQSA-N	418.990	4.869	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC2(CCN(C(=O)c3c(C)cc(C)cc3C)CC2)C1	1806163959	SADFCDCVPAEKID-FQEVSTJZSA-N	419.009	4.864	50	20	HJGD	
CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1	1822104156	JZLNYAWIYZFDAC-YWTNHNAXSA-N	423.001	4.882	50	20	HJGD	
O=C(C(Cl)Cl)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1	1830752351	YYOBTCYMAVPWMD-LJQANCHMSA-N	423.384	4.601	50	20	HJGD	
O=C(Cc1cccs1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	21786403	OYLBFGZIRZCGBH-UHFFFAOYSA-N	416.955	4.698	50	20	HJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)Cc1csc(-c2cccs2)n1	727174349	SIWVRZSYYAUZDK-UHFFFAOYSA-N	416.597	4.555	50	20	HJGD	
CCCCc1ccc(C(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1	728215215	HLRPPGNTXIRXLA-UHFFFAOYSA-N	423.538	4.587	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1csc2ccccc12	730067422	ZPRUOXBWTDOCFD-SNVBAGLBSA-N	408.310	4.913	50	20	HJGD	
CN(C)CCCOc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	730670196	OCYPPSQYGHUBGB-UHFFFAOYSA-N	418.541	4.760	50	20	HJGD	
CSCc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1	731589090	SUZDOYPDRLYRDQ-AFHVAHMMSA-N	409.555	4.693	50	20	HJGD	
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NNc1nccnc1Cl	734261555	MEHHUUYEWFTVDL-QGZVFWFLSA-N	419.337	4.749	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cc(C#N)ccc2F)c(C)n1C1CCCCC1	742732786	FSZWLIANBOJGQQ-UDWIEESQSA-N	404.489	4.844	50	20	HJGD	
Cc1ccccc1[C@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)[C@H](C)CO1	744407646	YCZNJOPPDULOOG-ATIYNZHBSA-N	419.505	4.771	50	20	HJGD	
Cc1cc(C(=O)NNc2ccc(Cl)c(F)c2)c2cc(Br)ccc2n1	746695704	KIWMOOWFUAJBND-UHFFFAOYSA-N	408.658	4.855	50	20	HJGD	
C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNc1ccc(Cl)cc1Cl	748007836	FLFZMYVNBASETO-QMMMGPOBSA-N	421.111	4.562	50	20	HJGD	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NNc1ccccc1Cl	748301803	JORMRUFJULGAGN-UHFFFAOYSA-N	403.866	4.858	50	20	HJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748722711	ZOUPENIICSONAY-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1	756206222	OXESZHZSGADCCI-NRFANRHFSA-N	414.465	4.697	50	20	HJGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)c1sc(-c2ccccc2Br)nc1C	757526089	KXDMIFWVLJNRPQ-COVOJHCQSA-N	420.332	4.502	50	20	HJGD	
COc1ccc(C=NNC(=O)c2cccc3ccccc23)c(OCc2cccnc2)c1	766454108	HTDSGJYJZWSGNV-UHFFFAOYSA-N	411.461	4.586	50	20	HJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(OCCN3CCOCC3)c(Cl)c2)n1	768489385	CVVCJXNCLDFQAN-BOPFTXTBSA-N	417.962	4.695	50	20	HJGD	
O=C(NNc1nc2ccccc2[nH]1)c1cccnc1Oc1ccc(Cl)cc1Cl	768504511	KGLBFBRSIOFBEL-UHFFFAOYSA-N	414.252	4.814	50	20	HJGD	
CCN(C(=O)Cc1ccc(NC(=O)NNc2ccccc2F)cc1)c1ccccc1	769974477	MFNOFZYMYVYVHW-UHFFFAOYSA-N	406.461	4.570	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cn(C)nc2-c2ccccc2)c(C)n1CC(C)C	774211901	OUGWHRRCLYVRRP-MTJSOVHGSA-N	401.514	4.707	50	20	HJGD	
COC1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCCCC1	778081179	WUCDRANQZKLJIG-UHFFFAOYSA-N	409.442	4.972	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	780951273	VDBVTIMPNVJMPZ-UHFFFAOYSA-N	404.310	4.621	50	20	HJGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccc(Br)cc2C(F)(F)F)CCO1	781970538	PGUVWTIRPIHLIA-PWSUYJOCSA-N	409.246	4.506	50	20	HJGD	
Cc1c(/C=C(/C#N)C(=O)O[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)cc(C#N)n1C	782626758	GPRJYQCJSWWXFI-XPGOGFAUSA-N	420.856	4.725	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)ccc1Br	782821493	OVFIJPAOPITLJO-UHFFFAOYSA-N	424.298	4.566	50	20	HJGD	
C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)NNc3ccc(Cl)cc3)c2)C1	783340425	UPHXLUKVROKMJM-QRWLVFNGSA-N	415.921	4.517	50	20	HJGD	
C[C@H](C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccco1	783464013	XTCGUPNKEWZFTA-VIFPVBQESA-N	405.366	4.546	50	20	HJGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2ccc(Cl)cc2-c2ccccc2)c1	785874225	IWHVRBGVUXFYQX-UHFFFAOYSA-N	415.902	4.559	50	20	HJGD	
CN(Cc1cccc(Br)c1OCC(C)(C)O)/C(=C/C#N)c1ccccc1	786450492	QRGVTXKNVVAFGS-XDHOZWIPSA-N	415.331	4.595	50	20	HJGD	
C[C@H](CC(C)(C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(=O)O	790621696	GBFPXDKHKVYEGE-SECBINFHSA-N	411.414	4.512	50	20	HJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(Br)cc1F	793705616	FAWYZXNCUUNGSD-UHFFFAOYSA-N	404.239	4.563	50	20	HJGD	
C[C@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C[C@@H](C2CC2)O1	795208279	HGIZGEDGGSFPSW-HZMBPMFUSA-N	407.426	4.532	50	20	HJGD	
C[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@]2(CCOC2)O1	797642748	LUHJJBNKMBCZCJ-ABAIWWIYSA-N	402.385	4.756	50	20	HJGD	
Cc1cc(-c2csc(NNC(N)=O)n2)c(C)n1C(c1ccccc1)c1ccccc1	800720975	MBSRWYSCQHLDQA-UHFFFAOYSA-N	417.538	4.861	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1	806315797	OCQAACPTOITLPQ-OAQYLSRUSA-N	418.884	4.597	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)c(F)cc2Cl)c1C	808865501	TVBIFXGLCGNECO-WZCGUGGKSA-N	403.885	4.959	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Nc1cc(C2CC2)ccn1	810324412	MAFKQVZZSJCFOE-UHFFFAOYSA-N	414.391	4.583	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1	812767804	UWHGXAULIARLDQ-UHFFFAOYSA-N	423.538	4.676	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1cccnc1Oc1ccc(Cl)cc1Cl	817006975	HXWSIHASDPXYAC-UHFFFAOYSA-N	409.660	4.986	50	20	HJGD	
O=C(COc1cc(Cl)c(Cl)cc1Cl)NNc1ccc(C(F)(F)F)cn1	857489090	QMLJFPNSHZGCDG-UHFFFAOYSA-N	414.598	4.583	50	20	HJGD	
O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1ccccc1Cl	915880193	YGAHARZIBUJIKH-UHFFFAOYSA-N	413.836	4.525	50	20	HJGD	
O=C(NN=Cc1ccc(F)cc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	916287380	KCTUPNQTJDGJQW-UHFFFAOYSA-N	404.470	4.758	50	20	HJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C	920064440	SOKZQRHKIWSSQB-LDADJPATSA-N	417.469	4.614	50	20	HJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cn(C)nc1-c1cc2ccccc2o1	920065171	WMYDCBZFZKLYAU-SFQUDFHCSA-N	412.449	4.778	50	20	HJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1OCC	920991144	PLJNRILLFKTBBS-GZTJUZNOSA-N	420.494	4.548	50	20	HJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CCc2ccccc2)C(C)C)c(C)n1C[C@H]1CCCO1	1321589647	JDIIHACIGFYJCU-HZRUTDPJSA-N	419.569	4.671	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCc4ccccc43)CCC2)cc1)C(Cl)Cl	1791607073	IBBQRHXYBDKAOS-GOSISDBHSA-N	417.336	4.654	50	20	HJGD	
Cc1cc(C)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)CCl)[nH]n2)c1	1820540079	AYMRHXMWMLPOAD-SFHVURJKSA-N	416.953	4.597	50	20	HJGD	
CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)[nH]n1	1820857828	DQSULZNQNYLYAG-HKUYNNGSSA-N	416.953	4.856	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc(-c3ccccn3)n2)c1C	12477631	HIXKDQPOAOCWPE-WOJGMQOQSA-N	406.511	4.684	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(C)c1OCc1ccccn1	36834849	BLVQWDMERXGGRY-XKRSAILHSA-N	403.526	4.879	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1C	210454217	VHQUUYFKRAZQAY-JIHKLPAASA-N	413.905	4.646	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1C	215535901	WJFJKQRGVNMHFQ-BXDIUNCMSA-N	407.514	4.618	50	20	HJGD	
Cc1ccc(-c2nc(CC(=O)NNC(=S)Nc3ccccc3C(C)C)cs2)cc1	727174352	SPJRTQVAICSSCM-UHFFFAOYSA-N	424.595	4.802	50	20	HJGD	
Cc1ccccc1-c1nc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)cs1	727791481	IVIGCLZDKQYZDS-UHFFFAOYSA-N	406.294	4.500	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)NNc1cccc(Cl)c1)c1ccccc1	729310428	JUXVGJNENUXZPG-SFHVURJKSA-N	403.910	4.829	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2SCCC#N)c1C	730982709	VFJCOBNMBUKIKI-IZQLPPHKSA-N	422.554	4.864	50	20	HJGD	
O=C(CCC(=O)c1ccccc1)NNc1ccc(Br)cc1C(F)(F)F	731478199	FZMMEOSNIQMRNA-UHFFFAOYSA-N	415.209	4.574	50	20	HJGD	
Cc1cc(NNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)nc(C)n1	736716176	GXDRAAPAZMTCAC-UHFFFAOYSA-N	401.495	4.641	50	20	HJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NNc1cccc(C(F)(F)F)n1	740137805	JDSUQDLXTJOMIV-UHFFFAOYSA-N	408.207	4.710	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC2(C)COC2)c(C)n1-c1cccc2ccccc12	741818619	JTRHFDFGIRHAQQ-CIAFOILYSA-N	400.478	4.734	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1	744811440	WGIFDTDADJPWRI-CQSZACIVSA-N	423.995	4.846	50	20	HJGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1cccc(OCc2ccccn2)c1	746754048	ADLFNIQFYMKTMP-AWEZNQCLSA-N	414.868	4.840	50	20	HJGD	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1)O[C@@H](C)C2	747598969	LSVFHZACCNXNDD-ULFGMLNVSA-N	420.431	4.674	50	20	HJGD	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccc(C#N)c2)cc1C	748033604	ZPGBVPXCNMUQBV-UHFFFAOYSA-N	421.504	4.844	50	20	HJGD	
Cc1ccc(C)c(NNC(=O)c2oc3ccccc3c2CSc2ncccn2)c1	748380405	AAVHLYONPQHYTH-UHFFFAOYSA-N	404.495	4.889	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCC[C@H](C)c2ccccc2)c(C)n1C[C@@H]1CCCO1	749834988	XDGHNZMUMILBJM-XOZJMRJJSA-N	405.542	4.501	50	20	HJGD	
COc1ccc2[nH]cc(C3CCN(C(=O)/C(C#N)=C/c4ccc(F)cc4)CC3)c2c1	751456412	QQWPHLWLPLYVFY-LDADJPATSA-N	403.457	4.629	50	20	HJGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)c(Sc2ccccc2)c1	752662945	VTXXERCIPUSJMS-UHFFFAOYSA-N	404.417	4.712	50	20	HJGD	
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNc1cc(Cl)ccc1Cl	752811496	NYGGNZIDLCFUGA-UHFFFAOYSA-N	411.676	4.773	50	20	HJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(-c2ccc(Cl)s2)on1	754144450	ZZQVZRRFTOJACN-UHFFFAOYSA-N	405.760	4.971	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2cc(F)cc(F)c2)c1C	755398600	JTEVJFFOWGQGKO-QONOWHERSA-N	402.441	4.802	50	20	HJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2ccc(Br)cc2F)c1	764263238	BCAJMRJHPYXBRH-UHFFFAOYSA-N	416.088	4.724	50	20	HJGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	766290204	ULGVWXMGTOOPDR-GEBUGFDQSA-N	404.595	4.506	50	20	HJGD	
C[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)[C@@H](C)c1ccccc1C(F)(F)F	766535372	VRHKKWQZJCFKNB-OLZOCXBDSA-N	419.403	4.588	50	20	HJGD	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](Br)C(C)(C)C	767032992	OGQWWZXNDJDGAB-MRXNPFEDSA-N	402.292	4.802	50	20	HJGD	
CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NNc2nc3ccccc3s2)c1	770032247	KPANPVYARQPARR-UHFFFAOYSA-N	417.466	4.931	50	20	HJGD	
CC[C@H](C)C[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)O	776614778	IYGLLIQINFWOKS-JOYOIKCWSA-N	411.414	4.512	50	20	HJGD	
O=S(=O)(NC[C@@H]1Cc2ccccc2O1)c1cccc(S(F)(F)(F)(F)F)c1	777874017	DCABTTWGNQPNPO-LBPRGKRZSA-N	415.405	4.626	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCOc2ccccc2C1	777898848	OQCFHZZTWPDUDX-UHFFFAOYSA-N	415.405	4.927	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3ccc4cnccc4c3)cc12	782119528	KXSIEKAMWVHPHN-UHFFFAOYSA-N	411.490	4.708	50	20	HJGD	
C[C@](O)(CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)c1ccsc1	782978993	GQVSHVXDLAKPGD-ZDUSSCGKSA-N	423.450	4.592	50	20	HJGD	
C[C@@H]1CCCN([C@H](C)CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782982670	KXKKDDBNLZKWDJ-CHWSQXEVSA-N	422.485	4.743	50	20	HJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(COCCOc2ccccc2)c1	787054530	PGZWDLZHUXEJFC-RCCKNPSSSA-N	414.461	4.533	50	20	HJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	787509842	INEQACOBSWFVJV-HMWXGYMHSA-N	414.305	4.738	50	20	HJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNC(=S)Nc1ccccc1C(C)C	793987982	JWZYVMPEIVXPTO-UHFFFAOYSA-N	408.527	4.659	50	20	HJGD	
Cc1c(C(=O)NNc2c(F)cc(F)cc2Br)sc2ccc(C#N)cc12	794355472	XYPCWGQLIMBZKR-UHFFFAOYSA-N	422.254	4.879	50	20	HJGD	
O=C(NNc1ccc(Br)cc1)c1cc(F)c(Br)c(Cl)c1	802825415	OYSAIFWZCWPMQD-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1-c1ccc(C(F)(F)F)cc1	803428454	GJUBWEXDMFHQQO-UHFFFAOYSA-N	423.394	4.971	50	20	HJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(F)c(C(F)(F)F)cc1F	804468278	OKFMWZOTVIJVRO-UHFFFAOYSA-N	409.152	4.811	50	20	HJGD	
CC[C@@H]1c2ccsc2CCN1C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	810146931	AASDLNYIZZKWIH-FCUASCOBSA-N	423.582	4.788	50	20	HJGD	
O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)nc1	915973102	DVKWOYMNLNXWCC-UHFFFAOYSA-N	404.651	4.521	50	20	HJGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN=Cc1cn(CCC#N)c2ccccc12	916341759	KTPAAGRNWBWVBL-KRWDZBQOSA-N	422.916	4.743	50	20	HJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3F)cs2)c1C	918665157	IWMUAANLDZOGMH-BOPFTXTBSA-N	424.501	4.560	50	20	HJGD	
CCN(C[C@H]1CCOC1)C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	920748608	CINKGZMBYLBOMI-JLWFYQMASA-N	411.933	4.540	50	20	HJGD	
CN1CCN(c2ccc(/C=C(\C#N)c3nc4cc(Cl)ccc4s3)cc2F)CC1	1115863233	SPSZEPUBULAGLO-XNTDXEJSSA-N	412.921	4.905	50	20	HJGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1	1317914476	NDGGNFPVRMEDNX-GOSISDBHSA-N	418.335	4.571	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)cc(F)c3)CCC2)cc1	1790486247	UUALQDMVNZDZRO-LJQANCHMSA-N	420.887	4.659	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccs2)n[nH]1	1815990126	MGSZZHRYOYMNBB-NVXWUHKLSA-N	422.982	4.504	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(C)c2)CC1	1824614139	GQLKZOUDKDGNQN-FGZHOGPDSA-N	419.009	4.565	50	20	HJGD	
Cc1cc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c(C)n1Cc1ccccc1	727805927	DUNAXBWVVOLBJB-UHFFFAOYSA-N	416.308	4.535	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(F)ccc2Cl)c(C)n1C[C@H]1CCCO1	728007246	HJPVXKRUIDXSDB-QJKHOBJASA-N	401.869	4.622	50	20	HJGD	
Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)CCCC[C@@H]2CCSS2)c1C	728524431	AABQHLRBVYGMKJ-AEFFLSMTSA-N	424.657	4.858	50	20	HJGD	
Cc1nn(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C	730201110	BMTNRZBYTUOLMD-WQRHYEAKSA-N	407.905	4.644	50	20	HJGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1	731186742	RWVRMPAOSRSNKE-PMACEKPBSA-N	410.926	4.536	50	20	HJGD	
CCn1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cn1	732529311	VPILLNFIKRPYJC-LICLKQGHSA-N	405.527	4.870	50	20	HJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)c1	733083808	QUGJRUOAIARRLS-SXGWCWSVSA-N	404.451	4.881	50	20	HJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C)c1ccc(Cl)s1	733935728	BOUWBQKLYUVVMK-ZFOVBUMHSA-N	405.951	4.641	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@](C)(O)c2cccs2)c(C)n1C1CCCCC1	740163648	HJOSWAHUZZRPHF-UOCRBVKVSA-N	411.571	4.603	50	20	HJGD	
CCc1cc(NNC(=O)c2cccc(N[C@H](C)C(C)C)c2C)nc(-c2ccccn2)n1	743375082	LVWLQIKVFLJRPK-QGZVFWFLSA-N	418.545	4.623	50	20	HJGD	
C[C@H](CCC(C)(C)C)NC(=O)NNC(=O)Nc1ccc(Br)cc1Cl	743621731	RREDLAAIPQUBHH-SNVBAGLBSA-N	419.751	4.653	50	20	HJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)c1cccc2cnccc12	744509805	VPEFCNKXEBHYKL-UHFFFAOYSA-N	410.193	4.773	50	20	HJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)ccc1OC(C)C	744857584	PKKFFDYMJKZCNO-YVLHZVERSA-N	420.494	4.547	50	20	HJGD	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1oc(C(C)C)nc1C#N	746522395	NSNXNKLUAJBJDR-UHFFFAOYSA-N	420.256	4.697	50	20	HJGD	
O=C(CSCC(=O)c1ccc(Cl)cc1)NNc1cc(Cl)ccc1Cl	748506663	DRQAUHFVHULRNZ-UHFFFAOYSA-N	403.718	4.706	50	20	HJGD	
Cc1c(NNC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cccc1[N+](=O)[O-]	748670481	IOEYFDZMZLLSJW-UHFFFAOYSA-N	422.388	4.802	50	20	HJGD	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C=NNC(=O)c2ccc(C)o2)c1	752172710	BBNALIIVNJXMPA-UHFFFAOYSA-N	402.429	4.652	50	20	HJGD	
C[C@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccc([S@](C)=O)cc1	756738602	MFOPDXUFTNRGHG-USOBGDSLSA-N	420.749	4.772	50	20	HJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCCBr)c(Cl)c1	763105268	DRBBCOFHDBMVQJ-XNTDXEJSSA-N	419.706	4.968	50	20	HJGD	
O=S(=O)(N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc(S(F)(F)(F)(F)F)cc1	765176569	PLWXQKPCZPMWPT-RISCZKNCSA-N	407.426	4.580	50	20	HJGD	
Cc1oc2ccccc2c1CNC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	767215121	VNOQANUKMCSJGQ-FVIRYLMMSA-N	417.509	4.562	50	20	HJGD	
O=C(NNc1c(F)cccc1Cl)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	770197632	YAALRVUVZMWRFP-LJQANCHMSA-N	410.832	4.690	50	20	HJGD	
CCOCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)c1cccc(F)c1	772171425	IAWORDHLOAZVNZ-MHWRWJLKSA-N	418.262	4.793	50	20	HJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3ncc(Cl)cc3Cl)cc12	775264531	FDEYGFQUNUCXRQ-UHFFFAOYSA-N	418.309	4.854	50	20	HJGD	
O=C(NN=Cc1ccc(F)nc1)c1ccc(CSc2nc3ccccc3s2)cc1	777420560	DEXCPZZMXQVGKE-UHFFFAOYSA-N	422.510	4.887	50	20	HJGD	
N#CC1=CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1	780687008	RNXZPWNXISADID-UHFFFAOYSA-N	415.280	4.933	50	20	HJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1	781083681	BIOFYJWNTHADRD-INIZCTEOSA-N	410.356	4.843	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H](CCO)c1ccccc1Br	782063141	WNUJCCCZSCVQBR-XJKSGUPXSA-N	418.422	4.703	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c1C	786316219	PKQOVVATRFPUSB-PWDRSIHYSA-N	410.465	4.775	50	20	HJGD	
CC(=NNC(=O)c1cc(Br)ccc1O)[C@@H]1C[C@H]1c1ccc(Cl)s1	788427743	GFXVMQOVJLVZOL-WDEREUQCSA-N	413.724	4.779	50	20	HJGD	
COc1cc(NNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1Cl	790176579	YGPBOUUENBVCQC-UHFFFAOYSA-N	407.857	4.964	50	20	HJGD	
O=C(NNC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1)Nc1ccc(-c2ccccc2)cc1	798092651	IAPJJYXKDWSUAQ-XYWHTSSQSA-N	418.472	4.775	50	20	HJGD	
CCc1cccc(C)c1NNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	799853016	GJGAYDMPWPSSOZ-UHFFFAOYSA-N	413.477	4.948	50	20	HJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(OCC(F)(F)F)c(F)c1	800569703	RKIXPVSEJDQWCW-UHFFFAOYSA-N	413.158	4.617	50	20	HJGD	
CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)NNc1ccccc1F	807118222	GXTGYFXXJQWLEW-SFHVURJKSA-N	401.482	4.561	50	20	HJGD	
CCC[C@@]1(CO)CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	808349081	IDPMXUZXHJBPEN-CQSZACIVSA-N	409.442	4.517	50	20	HJGD	
Cc1csc(Nc2ccc(C(=O)NNc3cccc(Br)c3)cc2)n1	810042367	RDAQZQWCPPIYEF-UHFFFAOYSA-N	403.305	4.715	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H]2CCOc3cccc(C)c32)c1C	814032861	FMWJWZTXVYTRAY-WSMCSGFASA-N	408.498	4.595	50	20	HJGD	
Cc1cc(C=NNC(=O)c2cn(C)c3ccccc23)cc(C)c1OCc1ccccn1	915956389	WZSMJACQGFMKOC-UHFFFAOYSA-N	412.493	4.533	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@H](c1ccccc1)C(C)(C)C	916518290	PIASJJNEKXAFDM-LJQANCHMSA-N	422.554	4.850	50	20	HJGD	
O=C(NCc1cn2ccccc2n1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918186351	CVFVDDSRNJZCRE-OAHLLOKOSA-N	414.840	4.875	50	20	HJGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NC[C@@H]3CC=CCC3)c3ccccc3n2)cc1	921123343	SOZYLQBMLRYHJU-GOSISDBHSA-N	414.509	4.511	50	20	HJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3c(C)cnn3CC3CC3)c2C)cc1	1251448560	ZVYPLFBITXECRD-UUYOSTAYSA-N	413.525	4.863	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc3c(s2)CCCCC3)c(C)n1C[C@H]1CCCO1	1318132366	CQUWZRVKIYVNNZ-TVNWYLLRSA-N	424.570	4.555	50	20	HJGD	
Cc1ccc2[nH]c(C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)c(Cl)c2c1	1318544706	DSBBWZJCIMHHHL-UHFFFAOYSA-N	402.241	4.590	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(COc3ccccc3OCC)o2)c1C	1322698987	LNXPBDFZZKVYSX-CPNJWEJPSA-N	406.486	4.940	50	20	HJGD	
CC[C@@H](Br)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)o3)cc2)CCC1	1786492648	VNLDHNCEYUEOAY-MRXNPFEDSA-N	419.319	4.509	50	20	HJGD	
O=C(NC1(c2ccc(NC(=O)C3(c4ccc(F)cc4)CC3)cc2)CCC1)[C@H](F)Cl	1786661559	DJBOJWWSCXMARL-SFHVURJKSA-N	418.871	4.526	50	20	HJGD	
CC[C@@H](Br)C(=O)Nc1ccc(C2(NC(=O)CCC(C)C)CCC2)cc1	1791363937	ZKWBUKLCVYJPRE-QGZVFWFLSA-N	409.368	4.730	50	20	HJGD	
CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)[nH]n1	1820850697	ABKKEVYLBLJCAB-SADTYBKJSA-N	420.966	4.584	50	20	HJGD	
Cc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CCl)CC1	1824010927	IOHKWYUZYVTZPR-QGZVFWFLSA-N	411.011	4.555	50	20	HJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c1	5177343	IGLMJVPMFAHOGI-GIJQJNRQSA-N	417.461	4.884	50	20	HJGD	
Cc1cccc(NC(=S)NNC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1	15665860	ULVBUKXKHWBCGN-UHFFFAOYSA-N	414.534	4.629	50	20	HJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1OC	63279024	DJGVVFSKLDDTGL-IUXPMGMMSA-N	403.463	4.772	50	20	HJGD	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)c2ccccc2F)cc1OC	207522921	GVORUHNVBJWLMQ-ZROIWOOFSA-N	416.246	4.951	50	20	HJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)cc1Cl	727263961	LHZFMHOUBCIRKV-MHWRWJLKSA-N	412.873	4.816	50	20	HJGD	
COc1ccc(-c2nc3c(s2)C(=NNC(=O)c2c[nH]c4ccccc24)CCC3)cc1	727777537	RRDIKDJTNCFDIV-UHFFFAOYSA-N	416.506	4.770	50	20	HJGD	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NNC(=O)CCCc1ccccc1	727845099	DXXFXJDAMOLHSM-CQSZACIVSA-N	408.329	4.750	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3c(C)noc3C)c2C)c1	733764769	ZPVJOIOHPFQXOP-IXGURIBZSA-N	402.498	4.792	50	20	HJGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	734092250	JCKKJISFIBQNSX-SFHVURJKSA-N	415.559	4.537	50	20	HJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cnccn1	734743625	BOKVQSPSMNNUKL-UHFFFAOYSA-N	422.488	4.877	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CCc2ccc(F)cc2)C2CC2)c1C	735017009	UGHMNYHRAJGMER-OVBDPADQSA-N	423.532	4.592	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCCC[C@@H]2c2ccco2)c(C)n1C[C@@H]1CCCO1	736527364	YTSWVEBFXJYVIT-YTGCWUCVSA-N	421.541	4.928	50	20	HJGD	
Cc1cccc2sc(C(=O)NNC(=O)c3cccc(Br)c3)c(Cl)c12	742772314	YEFOLJIVEKCQGK-UHFFFAOYSA-N	423.719	4.700	50	20	HJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)NCCCCC2CCCC2)c(-c2ccccc2)n1	742879802	OZJWCRYDAUSGQT-XLNRJJMWSA-N	415.541	4.847	50	20	HJGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c(C)c1	743820365	RDYNDVCCFDUZLC-ZDUSSCGKSA-N	409.477	4.834	50	20	HJGD	
CCc1ccc([C@@H](NC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)C(C)C)cc1	745340339	DKWRCVFKJWLNRK-SFHVURJKSA-N	420.460	4.583	50	20	HJGD	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)NNc2cccc([N+](=O)[O-])c2)cc1	745857921	SYTBUBNQAPQJFE-OAHLLOKOSA-N	406.442	4.658	50	20	HJGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC(c3cccc4ccccc34)CC2)cc(C#N)n1C	746860255	SKQKHRFKUNIIGX-HYARGMPZSA-N	408.505	4.672	50	20	HJGD	
O=C(CCc1nc2cc(Br)ccc2s1)NNc1ccccc1Cl	748319125	WYZYDAXQHOQMJQ-UHFFFAOYSA-N	410.724	4.788	50	20	HJGD	
CN(Cc1ccccc1)Cc1cccc(C(=O)NNc2ccc(OC(F)F)cc2)c1	748637288	LYCZIAXIZHXUPV-UHFFFAOYSA-N	411.452	4.677	50	20	HJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccccc1OCCOc1ccccc1	748650524	KFKGFWGOYMCTCQ-UHFFFAOYSA-N	414.408	4.503	50	20	HJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)C(c1ccccc1)c1ccccc1	748702329	BOPYTPHNCUIUHO-UHFFFAOYSA-N	400.400	4.903	50	20	HJGD	
Cc1nc(CSc2ccccc2C(=O)NNC(=O)c2cc3ccccc3o2)cs1	749466945	CGGJKRVGWGSCRO-UHFFFAOYSA-N	423.519	4.565	50	20	HJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2coc(-c3ccc(C)cc3)n2)c1C	749885756	FSSTYGBDXYPQOC-YVLHZVERSA-N	403.438	4.562	50	20	HJGD	
N#C/C=C(/c1ccccc1)N1CCC(C(=O)Nc2ccccc2Br)CC1	750795939	NCRUAOIQOFBKQR-JMIUGGIZSA-N	410.315	4.664	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H](Sc1ccc(F)cc1)c1ccccc1	755197849	VIZSPYGHHURJKZ-QGZVFWFLSA-N	422.407	4.611	50	20	HJGD	
CC(=O)Nc1ccc(S[C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cc1	757422947	UDFIHONORUGBCV-CYBMUJFWSA-N	410.451	4.793	50	20	HJGD	
COc1cc(F)cc(NNC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c1	759315708	YTUNBDYEJDWUPA-UHFFFAOYSA-N	411.380	4.734	50	20	HJGD	
O=C(O)c1cc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)ccc1F	762455567	BDHOSDIGAJSRKX-UHFFFAOYSA-N	421.340	4.982	50	20	HJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(CNC(=O)C2CCCC2)cc1	767405977	YKPVWKWMASAYRP-UHFFFAOYSA-N	424.303	4.696	50	20	HJGD	
O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1CCC(F)(F)F	773694327	LLMJNLBJXQMLPF-UHFFFAOYSA-N	420.218	4.570	50	20	HJGD	
O=C(NNc1ccc2ccccc2n1)c1c(-n2cccc2)sc2c1CCSC2	777463670	MWLWOSYUQXFTLA-UHFFFAOYSA-N	406.536	4.633	50	20	HJGD	
COC(=O)Cc1cccc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1	777466825	GITOVDQDAZDTOW-KRWDZBQOSA-N	417.836	4.874	50	20	HJGD	
CCN(CC)C[C@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777984404	UNXZFVFNEBLORS-CYBMUJFWSA-N	422.485	4.696	50	20	HJGD	
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1	782196942	CCCNKTZZZUIQBH-XGICHPGQSA-N	415.833	4.559	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2cnc(-c3ccco3)s2)cc1	789130022	KIRQXDOITOPMLM-WJDWOHSUSA-N	415.478	4.751	50	20	HJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(N2CCCCC2)c2ncccc12	791956370	VCZABGUDEYJVPQ-UHFFFAOYSA-N	411.937	4.530	50	20	HJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1c(F)cccc1Br	794480861	HMKBPSLHLSKAQO-CYBMUJFWSA-N	415.262	4.659	50	20	HJGD	
COc1ccc(-c2nc(C=NNC(=O)COc3ccc4ccccc4c3)cs2)cc1	794781402	WBBAVUHPDVWBBH-UHFFFAOYSA-N	417.490	4.501	50	20	HJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1cccc([N+](=O)[O-])c1	797947612	VBUNQCYSKMCMKL-UHFFFAOYSA-N	407.213	4.622	50	20	HJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc4ccccc4n3)s2)c(F)c1	800530346	JWGYRGRFLHSQBT-UHFFFAOYSA-N	408.458	4.571	50	20	HJGD	
N#CC1(N(C2CC2)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCC1	800933843	HKCZRUMKXZYFQV-UHFFFAOYSA-N	402.410	4.943	50	20	HJGD	
O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cc2occc2s1	804209463	AOVICJGMQVVBGH-UHFFFAOYSA-N	404.373	4.727	50	20	HJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn2ccc(Br)cc2n1	811686112	NTNSWUQYFBUWBQ-GHXNOFRVSA-N	415.678	4.604	50	20	HJGD	
CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	812497164	SJEGYSNLJOMXAD-MRXNPFEDSA-N	415.704	4.511	50	20	HJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1	812766925	ODQVDMNDHRMHDU-UHFFFAOYSA-N	422.550	4.849	50	20	HJGD	
O=C(NNc1cccc(Cl)n1)c1cccnc1Nc1cccc(C(F)(F)F)c1	817004452	CRRIJRLFYLIHSW-UHFFFAOYSA-N	407.783	4.649	50	20	HJGD	
Cc1cc(C)n([C@H](C)CC(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	817014854	BBWJZWFVMZUXRT-LLVKDONJSA-N	408.346	4.632	50	20	HJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc([S@](=N)(=O)O)cc3)o2)cc1	915983493	ITWBRJIMTMDKLD-VBKFSLOCSA-N	407.451	4.679	50	20	HJGD	
Cc1cc(C(=O)/C(C#N)=C/c2c(Cl)nc3ccccn23)c(C)n1CC(F)(F)F	915990280	YQNHUCZKHFKDMH-MDWZMJQESA-N	406.795	4.758	50	20	HJGD	
C[C@H](NC(=O)/C(C#N)=C\C1=Cc2cc(Br)ccc2OC1)c1ccccc1	917400434	VRMOYYUPNIIRLV-KPYNCUPYSA-N	409.283	4.552	50	20	HJGD	
Cc1ccc(NNC(=O)c2ccc(Br)cc2Br)cc1Cl	1319690143	BZFUGXOHTYWQAV-UHFFFAOYSA-N	418.516	4.930	50	20	HJGD	
C[C@H](CBr)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H]3C)CCC2)cc1	1786070572	ISMUHEZUULTXKV-RKVPGOIHSA-N	421.379	4.588	50	20	HJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)[C@H](F)c3ccccc3)cc2)CCC1	1786614032	XTXFBSKEFSDRIR-RTBURBONSA-N	402.897	4.849	50	20	HJGD	
O=C(Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1)c1ccc(Cl)s1	1787328335	UEAMRMSQHCORKB-UHFFFAOYSA-N	417.745	4.953	50	20	HJGD	
Cc1cccc(C)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)CCl)n[nH]1	1814698984	XLOHDYFTSLCZMX-KRWDZBQOSA-N	416.953	4.597	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(-c3ccc(C)s3)n[nH]2)c1C	97552527	BETUEWGSIQZXFE-WXARJGPPSA-N	423.542	4.618	50	20	HJGD	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1O	216944747	BRICLJJBULTVKS-NTEUORMPSA-N	403.265	4.982	50	20	HJGD	
CN(C[C@H]1CCCO[C@H]1c1ccccc1)S(=O)(=O)c1ccc(CCCCl)cc1	726975111	VQIJXHIATLZXBZ-IRLDBZIGSA-N	421.990	4.646	50	20	HJGD	
CCc1cccc2c(C=NNC(=O)c3ccc(Br)cc3Cl)c[nH]c12	728781957	BWHITQBMCYLYGX-UHFFFAOYSA-N	404.695	4.910	50	20	HJGD	
Cc1ccc(-n2nc(C(=O)NNc3cccc(C(F)(F)F)c3)c3c2CCC3)c(F)c1	730587034	GJCLGFZHJVDXQX-UHFFFAOYSA-N	418.394	4.584	50	20	HJGD	
C[C@@H](OCc1ccccc1)C(=O)NNc1ccc(Br)cc1C(F)(F)F	731477345	FKZVJELEQVCDJF-LLVKDONJSA-N	417.225	4.516	50	20	HJGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	733990712	IUEASHTUQKXEDO-YLBMSKMCSA-N	415.541	4.703	50	20	HJGD	
CCCc1cc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)sc1C	734258147	DGGKBBCWKXMDJF-UHFFFAOYSA-N	421.448	4.637	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)NCC(C)(C)Cc2ccccc2)c(C)n1C[C@@H]1CCCO1	735262974	IEGZOLOQUQJHCE-PQBKBUHISA-N	419.569	4.576	50	20	HJGD	
Cc1ccc(-n2nc(C)cc2NC(=O)/C(C#N)=C\c2ccc(OCC(F)F)cc2)cc1	741852497	LVSHRJBZMRGYGU-PDGQHHTCSA-N	422.435	4.679	50	20	HJGD	
Cc1cc(NNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)ccc1Br	743416517	QQMPTGHQJIZPPH-UHFFFAOYSA-N	422.298	4.638	50	20	HJGD	
COc1cc(C=NNC(=O)c2cn(C)c3ccccc23)ccc1OCc1cccs1	744780083	CALLPWRMSGBPNP-UHFFFAOYSA-N	419.506	4.591	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)c2cccc(C)c2)c1C	745100280	RNTWWWPESQSZEW-CVHFWEDTSA-N	407.558	4.622	50	20	HJGD	
C[C@@H](NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F	745234498	KNLJDWNEEXIYHO-CQSZACIVSA-N	410.424	4.729	50	20	HJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cccnc1SCc1ccc(F)cc1	751170728	RMIONNOHIUIAGG-UHFFFAOYSA-N	414.414	4.649	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)ccc1OCc1ccccc1	753322344	GQSITCDNPFYVJI-UHFFFAOYSA-N	407.857	4.556	50	20	HJGD	
CC(C)(C)OCc1ccc(NC(=O)NNC(=O)Cc2cccc3ccccc23)cc1	757602708	BLAWHKDVZWIPAD-UHFFFAOYSA-N	405.498	4.550	50	20	HJGD	
C=CC(=O)Nc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)ccc1F	758277699	UUSVWALHOVKEAU-UNOMPAQXSA-N	422.504	4.960	50	20	HJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1	766035999	YLAIBZIWZROWNS-IAGOWNOFSA-N	417.543	4.902	50	20	HJGD	
C/C(=C\C(=O)NNc1ccc(Br)c(F)c1)c1ccccc1OC(F)F	771681432	KUSMMEVWIYPBEN-CSKARUKUSA-N	415.209	4.736	50	20	HJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(Br)ccc1Br	773467307	NPOMHLJJDQCCHT-UHFFFAOYSA-N	422.479	4.761	50	20	HJGD	
N#C/C(=C\c1c[nH]nc1-c1c(F)cccc1F)C(=O)c1ccccc1OC(F)F	776193841	VSTJFJCSJAIPAP-DHZHZOJOSA-N	401.319	4.746	50	20	HJGD	
CC[C@@H](C(=O)NN=Cc1cccc(Br)c1OC(F)F)c1ccccc1	776770263	QXURRJYHUICTLM-CQSZACIVSA-N	411.246	4.694	50	20	HJGD	
Cc1ccc(C(=O)NNc2nc3ccccc3cc2C)cc1NC(=O)c1ccccc1	777476861	RWSUKVQGGPSQJO-UHFFFAOYSA-N	410.477	4.861	50	20	HJGD	
CC(C)(C)c1ccc(NNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1	780808893	NUFPSDHDDIFZDC-UHFFFAOYSA-N	410.468	4.694	50	20	HJGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cccc(F)c1Sc1ccccc1	781350467	FSNWXWYZWBQTFE-UHFFFAOYSA-N	408.380	4.543	50	20	HJGD	
CCc1c(C(=O)NNc2nc3ccccc3cc2C)cnn1-c1ccccc1Cl	790850630	LNQMHMKJDWYVFO-UHFFFAOYSA-N	405.889	4.702	50	20	HJGD	
CCCCCCNC(=O)/C(C#N)=C\c1cccc(NC(=O)c2ccc(OC)cc2)c1	797325213	FWTZWVHNMRKOOQ-HKWRFOASSA-N	405.498	4.551	50	20	HJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	803537193	VUGBRNBUDCPYJQ-UNMCSNQZSA-N	404.645	4.825	50	20	HJGD	
Cc1sc([C@@H](C)NC(=O)NNc2ncccc2F)nc1-c1ccc(Cl)cc1	805195589	WDQWWJJBKJCHIA-SNVBAGLBSA-N	405.886	4.693	50	20	HJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2ccc([N+](=O)[O-])cc2C)cs1	805386205	LIMLCYHYCGZWRG-UHFFFAOYSA-N	414.512	4.717	50	20	HJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cc4c(cc3Br)OCO4)n2)cc1	915863276	XMEFDBXDJXDVFF-NSIKDUERSA-N	410.227	4.600	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(NC(=O)CCC)c2)c1C	916079594	YDPNWJGAJVGZSQ-JCMHNJIXSA-N	420.557	4.867	50	20	HJGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	916340450	UQCFSHVOVHNVSL-GFCCVEGCSA-N	403.866	4.520	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCc2csc3ccccc23)c1C	916456649	KSHPQAZMLFCJJP-RHLNUJDMSA-N	421.566	4.793	50	20	HJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-n3cnc4ccccc43)cc2)cc1OC	917596630	JDXHIESYEIKYNB-AQTBWJFISA-N	424.460	4.588	50	20	HJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2csc(COc3ccccc3)n2)c1	918708238	XAMYQMBRUCIQDV-UHFFFAOYSA-N	423.538	4.683	50	20	HJGD	
O=C(NN=Cc1csc(COc2ccccc2)n1)c1cc2c(s1)CCCCC2	918711667	VOWBJLFWPDCDMA-UHFFFAOYSA-N	411.552	4.816	50	20	HJGD	
CCN(CCP(=O)(c1ccccc1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1	918739639	QNPNZXPDPNMONO-NRFANRHFSA-N	402.478	4.955	50	20	HJGD	
COc1ccc(OCc2nc(/C=C(\C#N)C(=O)c3cccc(OC)c3)cs2)cc1	920063600	ACEIVXQMOGRUAI-MHWRWJLKSA-N	406.463	4.529	50	20	HJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1C	1317946370	PCBVVAZMLNYTAW-QNGOZBTKSA-N	418.541	4.886	50	20	HJGD	
O=C(CSC1CCCC1)Nc1ccc(C2(NC(=O)C(Cl)Cl)CCC2)cc1	1786349746	HTUMVRINTANYNQ-UHFFFAOYSA-N	415.386	4.600	50	20	HJGD	
CCC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)s2)CC1	1825784883	BETQDSIPZPHBBR-MSOLQXFVSA-N	411.011	4.697	50	20	HJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCCC(=O)O)cc3)n2)cc1	63278977	ILTVOALTBNHJSJ-ATVHPVEESA-N	406.463	4.736	50	20	HJGD	
N#Cc1ccccc1COc1ccc(C(=O)NNc2cccc(Br)c2)cc1	195576079	MMAPROYUCWQCCR-UHFFFAOYSA-N	422.282	4.657	50	20	HJGD	
Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	219904050	SLDYFSIKJCVXAK-YOYPMJMESA-N	421.541	4.855	50	20	HJGD	
Cc1ccc(C)n1-c1ccsc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	727805117	YVIIIRLWWVCIPL-UHFFFAOYSA-N	408.310	4.537	50	20	HJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2Cl)c1	728716970	JPTHKDJUTGMZKJ-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)cc1OC	730436395	KBPJJHLQTKTCGF-GHXNOFRVSA-N	422.300	4.716	50	20	HJGD	
N#C/C(=C\c1ccc(OC(F)(F)C(=O)O)cc1)c1nc(-c2ccc(C#N)cc2)cs1	730730086	UBTRYVWDHVKTRE-CXUHLZMHSA-N	423.400	4.802	50	20	HJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cccnc1SCC1CCCCC1	734437123	NICZBKTVGLYYIH-UHFFFAOYSA-N	409.515	4.561	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cnn(-c3ccccn3)c2)c(C)n1C1CCCCC1	739657274	NGZFMANEZOZNQJ-DEDYPNTBSA-N	414.513	4.737	50	20	HJGD	
C[C@H](CC(=O)NNC(=O)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1	741582448	YFBOWYDSTPCBMQ-CQSZACIVSA-N	400.400	4.813	50	20	HJGD	
O=C(NNc1c(F)cc(F)cc1Br)c1cccc2c3c([nH]c12)CCCC3	742108422	PUTGRFIDNMTHHJ-UHFFFAOYSA-N	420.257	4.844	50	20	HJGD	
Cc1cnc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1	742119917	MIJCQVALVKNOBU-RQZCQDPDSA-N	410.930	4.736	50	20	HJGD	
COc1cc(C(=O)NNc2ccc(Cl)c(F)c2)cc(Cl)c1OCC(C)C	746696227	VYOWUJPYAFTJSK-UHFFFAOYSA-N	401.265	4.933	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccc(-n2nccc2C(F)(F)F)c1	748007804	BTZHQKFXRHYBLN-UHFFFAOYSA-N	415.202	4.955	50	20	HJGD	
O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NNc1ccc(Cl)cc1Cl	748007971	KFCHKWIJHWABGI-CQSZACIVSA-N	416.717	4.593	50	20	HJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1ccc(OC(F)F)cc1	748637327	NIZJKEDWXPCMLO-UHFFFAOYSA-N	400.429	4.528	50	20	HJGD	
CCc1cc(Br)ccc1NNC(=O)c1oc(-c2ccccc2)nc1C	753169950	NMDQJJMFDWFKJI-UHFFFAOYSA-N	400.276	4.732	50	20	HJGD	
CC(C)c1nc(C=NNC(=O)c2ccc(Br)cc2Cl)c2ccccn12	755699744	CBEUYFWGBCULGM-UHFFFAOYSA-N	419.710	4.638	50	20	HJGD	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)NNC(=O)CC1CC1	756734074	USMUWZIAIJKCIN-UHFFFAOYSA-N	423.492	4.685	50	20	HJGD	
CCCCn1ccnc1-c1cccc(NC(=O)NNC(=O)c2cc3ccccc3o2)c1	757703050	LZJXZRZCLZJCEN-UHFFFAOYSA-N	417.469	4.563	50	20	HJGD	
COc1c(C(=O)NNc2c(Cl)cccc2Cl)sc(C)c1Br	763623529	GIMPDLBNMLSHRN-UHFFFAOYSA-N	410.120	4.891	50	20	HJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1F	767638440	XEOLFLMWXBSJHW-UHFFFAOYSA-N	423.025	4.560	50	20	HJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNc1ccc([N+](=O)[O-])cc1	768244133	NMYYPXVHHRMTPO-UHFFFAOYSA-N	412.449	4.804	50	20	HJGD	
Cc1ccnc(-c2cccc(NC(=O)NNc3ccc(Br)c(F)c3)c2)n1	771154052	OYIGHGXICKPEHG-UHFFFAOYSA-N	416.254	4.502	50	20	HJGD	
CC(C)(C)c1cc(NC(=O)NNc2c(F)cccc2Cl)n(-c2ccccn2)n1	771193960	LNLHXRODRRALMA-UHFFFAOYSA-N	402.861	4.506	50	20	HJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cnn(-c3ccccc3F)c2C)c1C	772142661	DWXGEPFZVOWCDS-XDHOZWIPSA-N	405.477	4.694	50	20	HJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@H]1C[C@H]1c1ccccc1	772968994	JGTRKCJBGFXJPE-GJZGRUSLSA-N	406.376	4.955	50	20	HJGD	
C[C@@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773569370	BKLMZJRQLMEECC-ZETCQYMHSA-N	400.291	4.740	50	20	HJGD	
CN1C(=O)CCc2cc(/C=C(\C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21	773906756	GCNQBJLWNGDASS-CAPFRKAQSA-N	423.472	4.934	50	20	HJGD	
Cc1ccc(NC(=O)NNc2ccc3ccccc3n2)c(-c2nc(C3CC3)no2)c1	775655151	MJTKWDLNJFNFOH-UHFFFAOYSA-N	400.442	4.619	50	20	HJGD	
CCN(Cc1ccncc1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777850746	WERPUUDQWGKFGL-UHFFFAOYSA-N	402.410	4.950	50	20	HJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCC2(CCOCC2)C1	777975608	PYGNFTPZUMBUGM-UHFFFAOYSA-N	421.453	4.925	50	20	HJGD	
CCNC(=O)N(C)NC(=O)c1ccc(N[C@@H](C)c2cc(Cl)ccc2Cl)c(C)c1	780710834	YBJYYNQHMPFHNZ-ZDUSSCGKSA-N	423.344	4.781	50	20	HJGD	
COc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1	781553227	OGVGKOFHDOQOLU-UNOMPAQXSA-N	406.438	4.849	50	20	HJGD	
CCN(c1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc1)C(C)C	782820157	APKANYDMKMHBEK-UHFFFAOYSA-N	416.525	4.729	50	20	HJGD	
Cc1cc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)ccc1OC(C)C	782822366	WRMJPMDFFHGLRS-UHFFFAOYSA-N	403.482	4.590	50	20	HJGD	
CCOc1ccc(C(C)(C)C(=O)NNc2ccccc2Br)cc1OCC	783590488	UCNUVTQMOKNFCF-UHFFFAOYSA-N	421.335	4.667	50	20	HJGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccco2)nc2ccccc12	783808013	ZXXHYBPQXYNAEZ-UHFFFAOYSA-N	420.812	4.820	50	20	HJGD	
N#C/C(=C/c1ccccc1)C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1	785377901	IBOFVYUYJQAYDA-ZHFOUCBBSA-N	400.409	4.656	50	20	HJGD	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1O	787143806	CNIFNCFDQGWLLE-QENILXLESA-N	405.281	4.882	50	20	HJGD	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)/C(C#N)=C\c1ccc(O)cc1	787264125	RCKPZETURGFNSM-DHDCSXOGSA-N	417.278	4.638	50	20	HJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC(c2cccc(OC)c2)=NO1	791494634	VZVVKVDPUDWSHN-HXUWFJFHSA-N	409.511	4.525	50	20	HJGD	
COC(=O)Nc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)c1	791731501	QNPCOIRUGQEWNM-UHFFFAOYSA-N	422.190	4.947	50	20	HJGD	
CCc1nn(C)c(CC)c1CC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	792524951	KCURLQHKQGVZGZ-KRWDZBQOSA-N	419.900	4.945	50	20	HJGD	
CC(C)O[C@H](C=NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	792998764	HAXROVHYWFGPLD-QGZVFWFLSA-N	409.711	4.984	50	20	HJGD	
Cc1coc(C)c1C(=O)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	793191415	NKMFDWMPRBAXAY-UHFFFAOYSA-N	405.366	4.673	50	20	HJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1C	798008692	PWJFAZRDBTVIEQ-URPGRXITSA-N	411.933	4.545	50	20	HJGD	
Cc1cc(OCc2ccc(C(=O)NN=Cc3cc(F)ncc3F)cc2)ccc1Cl	807946497	NMYREQWVUZSBSE-UHFFFAOYSA-N	415.827	4.665	50	20	HJGD	
N#Cc1cc(Oc2ccc(NC(=O)NNc3nc4ccccc4s3)cc2)ccn1	810282448	XCVDHSRNKPQLSD-UHFFFAOYSA-N	402.439	4.504	50	20	HJGD	
CCOc1ccc(NNC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)cc1	817915229	GHHNPRJEXMLYDH-UHFFFAOYSA-N	410.905	4.867	50	20	HJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc4nc(O)[nH]c4c3)c2C)c1	857748726	LFNQXQDANROBNH-WOJGMQOQSA-N	411.465	4.530	50	20	HJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc(-c3ccco3)no2)c(C)n1C1CCCCC1	897256623	CWIYGNFZQKQVCQ-LDADJPATSA-N	420.469	4.904	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1C	915197500	TUJJNTKGMKCAEE-BJLUOBIUSA-N	416.525	4.969	50	20	HJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(SC(C)C)cc1	916733946	WDKMTANESAPAAY-UHFFFAOYSA-N	411.552	4.694	50	20	HJGD	
C=CCNC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cc1	917798122	QCOQRRDCEVRLPY-JCMHNJIXSA-N	418.541	4.613	50	20	HJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)c1C	918668878	VMIODMBKXVCDBU-BKUYFWCQSA-N	406.530	4.507	50	20	HJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)N(CC)CC)c1C	920012931	FWLZLGBDJSLNAW-LTGZKZEYSA-N	420.557	4.933	50	20	HJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNC(=O)c1ccc(Cl)cc1	921000030	BAEATIOVWPKMPE-UHFFFAOYSA-N	412.323	4.562	50	20	HJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(C(=O)O)c3)c2)c1	1116005127	PVUCAIUVHNBNOX-MTJSOVHGSA-N	412.445	4.818	50	20	HJGD	
C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)[C@@](C)(Cl)CCl)CCC2)cc1	1789209639	WYYVOJIVOXYLKY-ZTQAJYAQSA-N	411.373	4.793	50	20	HJGD	
COc1cccc(C(=O)NC2(c3ccc(NC(=O)C(Cl)Cl)cc3)CCC2)c1C	1791607217	OKXPDBFIMVAYJQ-UHFFFAOYSA-N	421.324	4.555	50	20	HJGD	
CC(C)(CCl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1	1820561093	VACZNBXFKYKDMR-INIZCTEOSA-N	423.344	4.634	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2F)CC1	1824614668	HGQPSEGMLKRZOM-FPOVZHCZSA-N	422.972	4.775	50	20	HJGD	
CCC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)CC1	1832401609	HRPULDCKBUAYLV-MIZPHKNDSA-N	409.014	4.760	50	20	HJGD